| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.7 | Very low | 68.5 | Low | 148 Ų | 148 | 86.2 Ų | 86.2 | 73% | 0.729 | 42% | 0.422 | S | S | * | . | 0 | -50.7 | 0 | -143.9 | -172.9 | -55.2 | 0 | 0 | 110.6 | E3 A4 W48 H116 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.39Å; M1-A4 PolarHBondContact O-N 3.13Å; M1-A4 VanDerWaalsContact O-N 3.1Å; M1-W48 HydrophobicContact SD-CH2 4.25Å; M1-H116 WeakPolarHBondContact CE-CE1 3.5Å | |||
| 2 | F | 47.6 | Very low | 70.7 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 21% | 0.211 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -56 | -30.8 | 179.9 | -159.9 | -100.8 | 0 | 0 | 0 | 116.1 | R7 Y31 I38 | F2-R7 VanDerWaalsContact CD1-NH2 3.28Å; F2-Y31 HydrophobicContact CE1-CD1 4.2Å; F2-Y31 AromaticContact CE1-CE1 3.94Å; F2-Y31 HydrophobicContact CE1-CE1 3.94Å; F2-Y31 HydrophobicContact CE1-CE2 4.36Å; F2-Y31 HydrophobicContact CE1-CG 4.5Å; F2-Y31 AromaticContact CE2-CD2 3.9Å; F2-Y31 HydrophobicContact CE2-CD2 3.9Å; F2-Y31 HydrophobicContact CE2-CE2 4.22Å; F2-Y31 HydrophobicContact CE2-CG 4.03Å; F2-Y31 AromaticContact CZ-CD1 3.53Å; F2-Y31 HydrophobicContact CZ-CD1 3.53Å; F2-Y31 AromaticContact CZ-CD2 3.45Å; F2-Y31 HydrophobicContact CZ-CD2 3.45Å; F2-Y31 VanDerWaalsContact CZ-CD2 3.45Å; F2-Y31 AromaticContact CZ-CE1 3.59Å; F2-Y31 HydrophobicContact CZ-CE1 3.59Å; F2-Y31 AromaticContact CZ-CE2 3.51Å; F2-Y31 HydrophobicContact CZ-CE2 3.51Å; F2-Y31 AromaticContact CZ-CG 3.44Å; F2-Y31 HydrophobicContact CZ-CG 3.44Å; F2-Y31 VanDerWaalsContact CZ-CG 3.44Å; F2-Y31 AromaticContact CZ-CZ 3.57Å; F2-I38 HydrophobicContact CD2-CD1 4.07Å; F2-I38 HydrophobicContact CE2-CB 4.47Å; F2-I38 HydrophobicContact CE2-CD1 3.92Å; F2-I38 HydrophobicContact CE2-CG2 4.15Å |
| 3 | E | 48.7 | Very low | 72.4 | Confident | 188 Ų | 188 | 88 Ų | 88 | 88% | 0.879 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -76.2 | -19.2 | 178.2 | -66.6 | 178.3 | 166.2 | 0 | 0 | 114.1 | M1 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.39Å |
| 4 | A | 55.8 | Low | 74.1 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 76% | 0.76 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -90.2 | -7.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 | M1-A4 PolarHBondContact O-N 3.13Å; M1-A4 VanDerWaalsContact O-N 3.1Å |
| 5 | L | 61 | Low | 75.4 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -91.4 | 127.8 | -176.1 | -68.2 | 169.8 | 0 | 0 | 0 | 110.4 | R7 T33 N34 I38 W48 | L5-R7 PolarHBondContact O-N 3.13Å; L5-T33 HydrophobicContact CB-CG2 3.89Å; L5-T33 HydrophobicContact CD1-CG2 3.96Å; L5-T33 HydrophobicContact CG-CG2 4.48Å; L5-N34 WeakPolarHBondContact CD2-OD1 3.41Å; L5-I38 HydrophobicContact CD1-CD1 4.02Å; L5-W48 HydrophobicContact CD1-CH2 4.02Å; L5-W48 HydrophobicContact CD1-CZ3 4.06Å |
| 6 | H | 72.6 | Confident | 76.4 | Confident | 120 Ų | 120 | 75.5 Ų | 75.5 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 127.1 | 170.8 | -174.3 | 70.6 | 0 | 0 | 0 | 109.6 | Y8 T33 N34 | H6-Y8 AromaticContact CD2-CE2 3.74Å; H6-Y8 AromaticContact CD2-CZ 3.7Å; H6-T33 CarbonylContact O-C 3.59Å; H6-T33 VanDerWaalsContact O-CA 3.23Å; H6-T33 WeakPolarHBondContact O-CA 3.27Å; H6-N34 PolarHBondContact O-N 2.99Å |
| 7 | R | 73.1 | Confident | 77.1 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.6 | -177.3 | -59.7 | -177.5 | -171.1 | 171.3 | 8.4 | 109.7 | F2 L5 | F2-R7 VanDerWaalsContact CD1-NH2 3.28Å; L5-R7 PolarHBondContact O-N 3.13Å |
| 8 | Y | 78.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 72.2 Ų | 72.2 | 46% | 0.459 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -36.6 | 174 | -67.4 | -91.1 | 0 | 0 | 0 | 111.6 | H6 L32 T33 N34 L99 | H6-Y8 AromaticContact CD2-CE2 3.74Å; H6-Y8 AromaticContact CD2-CZ 3.7Å; Y8-L32 PolarHBondContact N-O 3.28Å; Y8-T33 WeakPolarHBondContact CD2-O 3.49Å; Y8-N34 VanDerWaalsContact CE2-CA 3.47Å; Y8-N34 HydrophobicContact CE2-CB 3.8Å; Y8-L99 HydrophobicContact CD2-CD1 4.3Å |
| 9 | C | 85 | Confident | 76.9 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140.9 | -175.4 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | L32 | C9-L32 HydrophobicContact CB-CB 3.95Å; C9-L32 HydrophobicContact CB-CD1 3.88Å; C9-L32 HydrophobicContact CB-CG 3.98Å; C9-L32 PolarHBondContact N-O 3.44Å; C9-L32 PolarHBondContact O-N 2.88Å |
| 10 | Q | 92 | Very high | 76.5 | Confident | 84 Ų | 84 | 73 Ų | 73 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 119.8 | 170.5 | 173.3 | 178.2 | -34.3 | 0 | 0 | 107.6 | E12 T29 L30 Y31 | Q10-E12 PolarHBondContact NE2-OE1 3.13Å; Q10-T29 HydrophobicContact CG-CG2 3.82Å; Q10-L30 WeakPolarHBondContact CA-O 3.46Å; Q10-Y31 HydrophobicContact CB-CD1 4.19Å; Q10-Y31 HydrophobicContact CB-CE1 4.44Å; Q10-Y31 HydrophobicContact CG-CD1 3.91Å; Q10-Y31 HydrophobicContact CG-CE1 3.71Å |
| 11 | V | 93.7 | Very high | 76.3 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.5 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | V14 T29 L30 V83 D88 V92 | V11-V14 HydrophobicContact CB-CG2 3.85Å; V11-V14 HydrophobicContact CG1-CG2 3.58Å; V11-V14 WeakPolarHBondContact O-CG2 3.36Å; V11-T29 WeakPolarHBondContact O-CA 3.45Å; V11-L30 HydrophobicContact CB-CB 4.47Å; V11-L30 PolarHBondContact N-O 3Å; V11-L30 PolarHBondContact O-N 3.48Å; V11-V83 HydrophobicContact CG1-CG1 4Å; V11-D88 HydrophobicContact CG1-CB 4.01Å; V11-D88 HydrophobicContact CG2-CB 4.07Å; V11-V92 HydrophobicContact CG2-CG2 3.63Å |
| 12 | E | 93.9 | Very high | 77.7 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 160.6 | 179.3 | -64.2 | -172.6 | 177.8 | 0 | 0 | 111.7 | Q10 V14 T29 | Q10-E12 PolarHBondContact NE2-OE1 3.13Å; E12-V14 PolarHBondContact O-N 3.1Å; E12-T29 HydrophobicContact CG-CG2 3.99Å |
| 13 | N | 93.8 | Very high | 79.1 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.9 | 30.7 | 178.3 | -56.5 | -59.2 | 0 | 0 | 0 | 114.1 | T27 G28 K42 | N13-T27 HydrophobicContact CB-CG2 4.49Å; N13-G28 WeakPolarHBondContact CA-O 3.45Å; N13-G28 PolarHBondContact N-O 2.88Å; N13-G28 VanDerWaalsContact N-O 3.1Å; N13-K42 PolarHBondContact OD1-NZ 3.16Å; N13-K42 VanDerWaalsContact OD1-NZ 3.13Å |
| 14 | V | 95.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.4 | 169.8 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | V11 E12 T27 G28 L30 F39 L81 V83 | V11-V14 HydrophobicContact CB-CG2 3.85Å; V11-V14 HydrophobicContact CG1-CG2 3.58Å; V11-V14 WeakPolarHBondContact O-CG2 3.36Å; E12-V14 PolarHBondContact O-N 3.1Å; V14-T27 CarbonylContact O-C 3.56Å; V14-T27 WeakPolarHBondContact O-CA 3.49Å; V14-G28 PolarHBondContact N-O 3.49Å; V14-G28 PolarHBondContact O-N 3.41Å; V14-L30 HydrophobicContact CB-CB 4.27Å; V14-L30 HydrophobicContact CG1-CB 4.47Å; V14-L30 HydrophobicContact CG2-CB 3.83Å; V14-F39 HydrophobicContact CB-CE2 4.28Å; V14-F39 HydrophobicContact CG1-CE2 4.3Å; V14-F39 WeakPolarHBondContact O-CE2 3.46Å; V14-L81 HydrophobicContact CG1-CB 3.95Å; V14-L81 HydrophobicContact CG1-CD2 4.05Å; V14-L81 HydrophobicContact CG1-CG 4.4Å; V14-V83 HydrophobicContact CG1-CG2 4.38Å; V14-V83 HydrophobicContact CG2-CG2 4.28Å |
| 15 | V | 93.9 | Very high | 82 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.5 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | Y17 N25 R26 L81 L82 | V15-Y17 PolarHBondContact O-N 3.35Å; V15-Y17 VanDerWaalsContact O-N 3.15Å; V15-N25 HydrophobicContact CG1-CB 4.29Å; V15-R26 CarbonylContact C-O 3.58Å; V15-R26 WeakPolarHBondContact CA-O 3.32Å; V15-L81 CarbonylContact O-C 3.6Å; V15-L81 WeakPolarHBondContact O-CA 3.4Å; V15-L82 HydrophobicContact CB-CB 4.15Å; V15-L82 PolarHBondContact N-O 2.91Å; V15-L82 PolarHBondContact O-N 3.1Å |
| 16 | W | 91.2 | Very high | 83.4 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 108.4 | 158 | 174.8 | 12.6 | 0 | 0 | 0 | 107.5 | N25 R26 F39 L47 L79 L81 W625 | W16-N25 WeakPolarHBondContact O-CA 3.37Å; W16-R26 PolarHBondContact N-O 3.45Å; W16-R26 PolarHBondContact O-N 3.27Å; W16-F39 HydrophobicContact CB-CD1 4.22Å; W16-F39 HydrophobicContact CB-CE1 3.7Å; W16-F39 HydrophobicContact CB-CE2 4.32Å; W16-F39 HydrophobicContact CB-CZ 3.78Å; W16-F39 HydrophobicContact CE3-CD1 4.21Å; W16-F39 HydrophobicContact CE3-CE1 4.14Å; W16-L47 HydrophobicContact CH2-CD2 4.46Å; W16-L47 HydrophobicContact CZ3-CD2 4.42Å; W16-L79 HydrophobicContact CD2-CD1 4.04Å; W16-L79 HydrophobicContact CG-CD1 3.72Å; W16-L81 HydrophobicContact CB-CD2 4.31Å; W16-W625 HydrophobicContact CH2-CZ3 4.41Å; W16-W625 HydrophobicContact CZ3-CH2 4.35Å |
| 17 | Y | 87.6 | Confident | 84.4 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.9 | -175.3 | -174.8 | -109.7 | 0 | 0 | 0 | 111 | V15 Q19 N25 T80 L82 | V15-Y17 PolarHBondContact O-N 3.35Å; V15-Y17 VanDerWaalsContact O-N 3.15Å; Y17-Q19 HydrophobicContact CD1-CG 3.83Å; Y17-Q19 HydrophobicContact CE1-CB 4.16Å; Y17-Q19 HydrophobicContact CE1-CG 3.74Å; Y17-N25 WeakPolarHBondContact CA-OD1 3.27Å; Y17-T80 HydrophobicContact CD1-CG2 4.06Å; Y17-T80 PolarHBondContact N-O 2.96Å; Y17-T80 WeakPolarHBondContact O-CB 3.49Å; Y17-L82 HydrophobicContact CD2-CD1 3.74Å; Y17-L82 HydrophobicContact CE2-CD1 4.4Å; Y17-L82 HydrophobicContact CG-CD1 3.86Å; Y17-L82 HydrophobicContact CG-CG 4.18Å |
| 18 | D | 81.2 | Confident | 85.5 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | trans | -93.7 | 112.9 | 166.8 | -174.5 | -38.9 | 0 | 0 | 0 | 108 | C20 V21 N24 N25 | D18-C20 PolarHBondContact O-N 3.1Å; D18-C20 WeakPolarHBondContact OD1-CA 3.34Å; D18-C20 WeakPolarHBondContact OD1-CB 3.41Å; D18-C20 PolarHBondContact OD1-N 3.03Å; D18-V21 WeakPolarHBondContact CB-O 3.43Å; D18-V21 PolarHBondContact OD1-N 2.71Å; D18-N24 HydrophobicContact CB-CB 3.66Å; D18-N24 VanDerWaalsContact OD2-CB 3.26Å; D18-N24 WeakPolarHBondContact OD2-CB 3.23Å; D18-N24 PolarHBondContact OD2-ND2 2.93Å; D18-N25 PolarHBondContact N-OD1 2.78Å; D18-N25 PolarHBondContact O-OD1 3.26Å | ||
| 19 | Q | 70.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -69.7 | -15.1 | -177.6 | -53 | -169.2 | 6.9 | 0 | 0 | 113.3 | Y17 T80 | Y17-Q19 HydrophobicContact CD1-CG 3.83Å; Y17-Q19 HydrophobicContact CE1-CB 4.16Å; Y17-Q19 HydrophobicContact CE1-CG 3.74Å; Q19-T80 PolarHBondContact NE2-OG1 3.34Å |
| 20 | C | 68.6 | Low | 86.8 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -106 | -32.4 | -171 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | D18 K293 | D18-C20 PolarHBondContact O-N 3.1Å; D18-C20 WeakPolarHBondContact OD1-CA 3.34Å; D18-C20 WeakPolarHBondContact OD1-CB 3.41Å; D18-C20 PolarHBondContact OD1-N 3.03Å; C20-K293 HydrophobicContact CB-CD 3.94Å; C20-K293 HydrophobicContact CB-CG 4.04Å |
| 21 | V | 71.7 | Confident | 87 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | trans | -135.6 | 103.7 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | D18 E23 N24 | D18-V21 WeakPolarHBondContact CB-O 3.43Å; D18-V21 PolarHBondContact OD1-N 2.71Å; V21-E23 HydrophobicContact CG1-CB 3.96Å; V21-E23 PolarHBondContact O-N 3.15Å; V21-E23 VanDerWaalsContact O-N 3.13Å; V21-N24 HydrophobicContact CB-CB 4.2Å; V21-N24 HydrophobicContact CG1-CB 4.33Å; V21-N24 WeakPolarHBondContact O-CB 3.4Å; V21-N24 PolarHBondContact O-N 3.36Å | ||
| 22 | A | 75.5 | Confident | 87 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -58.1 | -30.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | N24 N25 | A22-N24 PolarHBondContact O-N 2.91Å; A22-N25 VanDerWaalsContact O-CB 3.24Å; A22-N25 WeakPolarHBondContact O-CB 3.46Å; A22-N25 VanDerWaalsContact O-CG 3.24Å; A22-N25 PolarHBondContact O-N 3.41Å; A22-N25 VanDerWaalsContact O-N 3.14Å; A22-N25 PolarHBondContact O-ND2 2.78Å |
| 23 | E | 77.1 | Confident | 86.8 | Confident | 183 Ų | 183 | 44.9 Ų | 44.9 | 86% | 0.855 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -66.8 | -20.1 | 177.2 | -62.2 | 163.3 | -175.9 | 0 | 0 | 113.2 | V21 N25 | V21-E23 HydrophobicContact CG1-CB 3.96Å; V21-E23 PolarHBondContact O-N 3.15Å; V21-E23 VanDerWaalsContact O-N 3.13Å; E23-N25 VanDerWaalsContact C-N 3.31Å |
| 24 | N | 78.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -82.6 | -9.4 | 175.5 | -73.8 | -15.1 | 0 | 0 | 0 | 112.8 | D18 V21 A22 R26 | D18-N24 HydrophobicContact CB-CB 3.66Å; D18-N24 VanDerWaalsContact OD2-CB 3.26Å; D18-N24 WeakPolarHBondContact OD2-CB 3.23Å; D18-N24 PolarHBondContact OD2-ND2 2.93Å; V21-N24 HydrophobicContact CB-CB 4.2Å; V21-N24 HydrophobicContact CG1-CB 4.33Å; V21-N24 WeakPolarHBondContact O-CB 3.4Å; V21-N24 PolarHBondContact O-N 3.36Å; A22-N24 PolarHBondContact O-N 2.91Å; N24-R26 WeakPolarHBondContact O-CG 3.38Å; N24-R26 PolarHBondContact O-N 3.4Å |
| 25 | N | 86.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -61.3 | 131.8 | 179.5 | -69.5 | -21.3 | 0 | 0 | 0 | 110.4 | V15 W16 Y17 D18 A22 E23 | V15-N25 HydrophobicContact CG1-CB 4.29Å; W16-N25 WeakPolarHBondContact O-CA 3.37Å; Y17-N25 WeakPolarHBondContact CA-OD1 3.27Å; D18-N25 PolarHBondContact N-OD1 2.78Å; D18-N25 PolarHBondContact O-OD1 3.26Å; A22-N25 VanDerWaalsContact O-CB 3.24Å; A22-N25 WeakPolarHBondContact O-CB 3.46Å; A22-N25 VanDerWaalsContact O-CG 3.24Å; A22-N25 PolarHBondContact O-N 3.41Å; A22-N25 VanDerWaalsContact O-N 3.14Å; A22-N25 PolarHBondContact O-ND2 2.78Å; E23-N25 VanDerWaalsContact C-N 3.31Å | ||
| 26 | R | 89.5 | Confident | 85.7 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.2 | 177.9 | -61.2 | -172.2 | -171.5 | 161.2 | 7.1 | 109.8 | V15 W16 N24 F39 W625 | V15-R26 CarbonylContact C-O 3.58Å; V15-R26 WeakPolarHBondContact CA-O 3.32Å; W16-R26 PolarHBondContact N-O 3.45Å; W16-R26 PolarHBondContact O-N 3.27Å; N24-R26 WeakPolarHBondContact O-CG 3.38Å; N24-R26 PolarHBondContact O-N 3.4Å; R26-F39 HydrophobicContact CB-CE1 4.08Å; R26-F39 HydrophobicContact CB-CZ 4.31Å; R26-F39 VanDerWaalsContact O-CZ 3.3Å; R26-F39 WeakPolarHBondContact O-CZ 3.42Å; R26-W625 VanDerWaalsContact NH1-CH2 3.34Å |
| 27 | T | 94.2 | Very high | 85.9 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 140 | 167.5 | -50.3 | 0 | 0 | 0 | 0 | 109.3 | N13 V14 K42 | N13-T27 HydrophobicContact CB-CG2 4.49Å; V14-T27 CarbonylContact O-C 3.56Å; V14-T27 WeakPolarHBondContact O-CA 3.49Å; T27-K42 HydrophobicContact CG2-CD 4.38Å; T27-K42 WeakPolarHBondContact O-CG 3.4Å; T27-K42 PolarHBondContact O-N 3.23Å |
| 28 | G | 95.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | -167.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N13 V14 A40 | N13-G28 WeakPolarHBondContact CA-O 3.45Å; N13-G28 PolarHBondContact N-O 2.88Å; N13-G28 VanDerWaalsContact N-O 3.1Å; V14-G28 PolarHBondContact N-O 3.49Å; V14-G28 PolarHBondContact O-N 3.41Å; G28-A40 CarbonylContact C-O 3.57Å; G28-A40 WeakPolarHBondContact CA-O 3.3Å |
| 29 | T | 96.1 | Very high | 86.7 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.5 | 173.5 | -55.4 | 0 | 0 | 0 | 0 | 109 | Q10 V11 E12 Y31 A40 | Q10-T29 HydrophobicContact CG-CG2 3.82Å; V11-T29 WeakPolarHBondContact O-CA 3.45Å; E12-T29 HydrophobicContact CG-CG2 3.99Å; T29-Y31 HydrophobicContact CG2-CD1 4.34Å; T29-Y31 HydrophobicContact CG2-CD2 4.17Å; T29-Y31 HydrophobicContact CG2-CE1 3.74Å; T29-Y31 HydrophobicContact CG2-CE2 3.54Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.08Å; T29-A40 PolarHBondContact N-O 3.12Å; T29-A40 PolarHBondContact O-N 3.27Å |
| 30 | L | 96.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.1 | 174.2 | -174.5 | 71 | 0 | 0 | 0 | 109.3 | Q10 V11 V14 L32 L37 F39 L81 V92 | Q10-L30 WeakPolarHBondContact CA-O 3.46Å; V11-L30 HydrophobicContact CB-CB 4.47Å; V11-L30 PolarHBondContact N-O 3Å; V11-L30 PolarHBondContact O-N 3.48Å; V14-L30 HydrophobicContact CB-CB 4.27Å; V14-L30 HydrophobicContact CG1-CB 4.47Å; V14-L30 HydrophobicContact CG2-CB 3.83Å; L30-L32 HydrophobicContact CD2-CD2 4.47Å; L30-L32 HydrophobicContact CG-CD2 4.4Å; L30-L37 HydrophobicContact CD1-CD1 3.86Å; L30-L37 HydrophobicContact CD1-CD2 3.79Å; L30-L37 HydrophobicContact CD1-CG 3.66Å; L30-F39 HydrophobicContact CD1-CB 4.34Å; L30-L81 HydrophobicContact CD1-CD1 3.83Å; L30-L81 HydrophobicContact CD2-CD1 3.97Å; L30-V92 HydrophobicContact CD2-CG1 3.74Å; L30-V92 HydrophobicContact CD2-CG2 3.94Å |
| 31 | Y | 94.8 | Very high | 88.8 | Confident | 34 Ų | 34 | 36 Ų | 36 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.4 | 175.6 | -55.3 | -90.1 | 0 | 0 | 0 | 109.5 | F2 Q10 T29 I38 A40 | F2-Y31 HydrophobicContact CE1-CD1 4.2Å; F2-Y31 AromaticContact CE1-CE1 3.94Å; F2-Y31 HydrophobicContact CE1-CE1 3.94Å; F2-Y31 HydrophobicContact CE1-CE2 4.36Å; F2-Y31 HydrophobicContact CE1-CG 4.5Å; F2-Y31 AromaticContact CE2-CD2 3.9Å; F2-Y31 HydrophobicContact CE2-CD2 3.9Å; F2-Y31 HydrophobicContact CE2-CE2 4.22Å; F2-Y31 HydrophobicContact CE2-CG 4.03Å; F2-Y31 AromaticContact CZ-CD1 3.53Å; F2-Y31 HydrophobicContact CZ-CD1 3.53Å; F2-Y31 AromaticContact CZ-CD2 3.45Å; F2-Y31 HydrophobicContact CZ-CD2 3.45Å; F2-Y31 VanDerWaalsContact CZ-CD2 3.45Å; F2-Y31 AromaticContact CZ-CE1 3.59Å; F2-Y31 HydrophobicContact CZ-CE1 3.59Å; F2-Y31 AromaticContact CZ-CE2 3.51Å; F2-Y31 HydrophobicContact CZ-CE2 3.51Å; F2-Y31 AromaticContact CZ-CG 3.44Å; F2-Y31 HydrophobicContact CZ-CG 3.44Å; F2-Y31 VanDerWaalsContact CZ-CG 3.44Å; F2-Y31 AromaticContact CZ-CZ 3.57Å; Q10-Y31 HydrophobicContact CB-CD1 4.19Å; Q10-Y31 HydrophobicContact CB-CE1 4.44Å; Q10-Y31 HydrophobicContact CG-CD1 3.91Å; Q10-Y31 HydrophobicContact CG-CE1 3.71Å; T29-Y31 HydrophobicContact CG2-CD1 4.34Å; T29-Y31 HydrophobicContact CG2-CD2 4.17Å; T29-Y31 HydrophobicContact CG2-CE1 3.74Å; T29-Y31 HydrophobicContact CG2-CE2 3.54Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.08Å; Y31-I38 PolarHBondContact N-O 2.99Å; Y31-I38 PolarHBondContact O-N 3.16Å; Y31-A40 HydrophobicContact CE2-CB 3.96Å |
| 32 | L | 93.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 111.6 | 170.1 | -55.4 | -173.2 | 0 | 0 | 0 | 108.2 | Y8 C9 L30 L37 Y51 V92 T95 L96 | Y8-L32 PolarHBondContact N-O 3.28Å; C9-L32 HydrophobicContact CB-CB 3.95Å; C9-L32 HydrophobicContact CB-CD1 3.88Å; C9-L32 HydrophobicContact CB-CG 3.98Å; C9-L32 PolarHBondContact N-O 3.44Å; C9-L32 PolarHBondContact O-N 2.88Å; L30-L32 HydrophobicContact CD2-CD2 4.47Å; L30-L32 HydrophobicContact CG-CD2 4.4Å; L32-L37 HydrophobicContact CD2-CB 4.01Å; L32-L37 HydrophobicContact CD2-CD1 3.95Å; L32-L37 HydrophobicContact CD2-CG 3.92Å; L32-Y51 WeakPolarHBondContact CA-OH 3.3Å; L32-V92 HydrophobicContact CD1-CB 4.41Å; L32-V92 HydrophobicContact CD1-CG1 4.23Å; L32-V92 HydrophobicContact CD1-CG2 4.37Å; L32-T95 HydrophobicContact CB-CG2 4.17Å; L32-T95 HydrophobicContact CD1-CG2 3.54Å; L32-L96 HydrophobicContact CD1-CD2 4.46Å; L32-L96 HydrophobicContact CD1-CG 4.22Å; L32-L96 HydrophobicContact CD2-CD2 3.77Å; L32-L96 HydrophobicContact CD2-CG 4.25Å |
| 33 | T | 91 | Very high | 89.9 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -172.1 | 178.6 | 70.3 | 0 | 0 | 0 | 0 | 110.9 | L5 H6 Y8 T35 H36 I38 Y51 | L5-T33 HydrophobicContact CB-CG2 3.89Å; L5-T33 HydrophobicContact CD1-CG2 3.96Å; L5-T33 HydrophobicContact CG-CG2 4.48Å; H6-T33 CarbonylContact O-C 3.59Å; H6-T33 VanDerWaalsContact O-CA 3.23Å; H6-T33 WeakPolarHBondContact O-CA 3.27Å; Y8-T33 WeakPolarHBondContact CD2-O 3.49Å; T33-T35 VanDerWaalsContact C-N 3.29Å; T33-T35 PolarHBondContact OG1-N 3.47Å; T33-H36 PolarHBondContact N-O 3.47Å; T33-H36 PolarHBondContact OG1-N 2.64Å; T33-H36 PolarHBondContact OG1-O 2.85Å; T33-I38 HydrophobicContact CG2-CD1 3.84Å; T33-Y51 PolarHBondContact N-OH 3.32Å; T33-Y51 WeakPolarHBondContact O-CE2 3.15Å; T33-Y51 VanDerWaalsContact O-CZ 3.29Å; T33-Y51 PolarHBondContact O-OH 3.47Å |
| 34 | N | 83.6 | Confident | 90 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -73.1 | -17.3 | 172.7 | 63.2 | -25.3 | 0 | 0 | 0 | 114.6 | L5 H6 Y8 | L5-N34 WeakPolarHBondContact CD2-OD1 3.41Å; H6-N34 PolarHBondContact O-N 2.99Å; Y8-N34 VanDerWaalsContact CE2-CA 3.47Å; Y8-N34 HydrophobicContact CE2-CB 3.8Å |
| 35 | T | 84.8 | Confident | 90 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -126 | -30.8 | -173.6 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | T33 Y51 | T33-T35 VanDerWaalsContact C-N 3.29Å; T33-T35 PolarHBondContact OG1-N 3.47Å; T35-Y51 VanDerWaalsContact C-CD2 3.44Å; T35-Y51 VanDerWaalsContact C-CE2 3.45Å; T35-Y51 VanDerWaalsContact O-CD2 3.32Å; T35-Y51 WeakPolarHBondContact O-CD2 3.4Å; T35-Y51 PolarHBondContact O-N 3.46Å |
| 36 | H | 91.6 | Very high | 90 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.25 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145 | -172.2 | -61.5 | 78.2 | 0 | 0 | 0 | 112.4 | T33 I38 W48 I49 A50 Y51 | T33-H36 PolarHBondContact N-O 3.47Å; T33-H36 PolarHBondContact OG1-N 2.64Å; T33-H36 PolarHBondContact OG1-O 2.85Å; H36-I38 HydrophobicContact CB-CG1 4.05Å; H36-W48 HydrophobicContact CB-CE3 4.17Å; H36-W48 AromaticContact CG-CE3 3.95Å; H36-I49 CarbonylContact C-O 3.57Å; H36-I49 VanDerWaalsContact CA-O 3.3Å; H36-I49 WeakPolarHBondContact CA-O 3.4Å; H36-A50 PolarHBondContact CD2-N 3.43Å; H36-Y51 VanDerWaalsContact C-CZ 3.44Å; H36-Y51 PolarHBondContact O-OH 2.86Å |
| 37 | L | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.3 | 150.4 | 175 | 155.7 | 0 | 0 | 0 | 107.9 | L30 L32 I49 Y51 I71 L79 L81 L96 | L30-L37 HydrophobicContact CD1-CD1 3.86Å; L30-L37 HydrophobicContact CD1-CD2 3.79Å; L30-L37 HydrophobicContact CD1-CG 3.66Å; L32-L37 HydrophobicContact CD2-CB 4.01Å; L32-L37 HydrophobicContact CD2-CD1 3.95Å; L32-L37 HydrophobicContact CD2-CG 3.92Å; L37-I49 HydrophobicContact CB-CB 4.41Å; L37-I49 HydrophobicContact CD2-CB 4.42Å; L37-I49 HydrophobicContact CD2-CD1 4.3Å; L37-I49 PolarHBondContact N-O 2.85Å; L37-I49 PolarHBondContact O-N 2.71Å; L37-Y51 HydrophobicContact CB-CE1 4.08Å; L37-I71 HydrophobicContact CD1-CD1 3.44Å; L37-I71 VanDerWaalsContact CD1-CD1 3.44Å; L37-L79 HydrophobicContact CD2-CD2 4.17Å; L37-L81 HydrophobicContact CD1-CD1 4.36Å; L37-L96 HydrophobicContact CB-CD2 4.31Å; L37-L96 HydrophobicContact CD1-CD1 4.1Å; L37-L96 HydrophobicContact CD1-CD2 3.83Å |
| 38 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.4 | 176.3 | -53.6 | 170.3 | 0 | 0 | 0 | 108.2 | F2 L5 Y31 T33 H36 L47 W48 | F2-I38 HydrophobicContact CD2-CD1 4.07Å; F2-I38 HydrophobicContact CE2-CB 4.47Å; F2-I38 HydrophobicContact CE2-CD1 3.92Å; F2-I38 HydrophobicContact CE2-CG2 4.15Å; L5-I38 HydrophobicContact CD1-CD1 4.02Å; Y31-I38 PolarHBondContact N-O 2.99Å; Y31-I38 PolarHBondContact O-N 3.16Å; T33-I38 HydrophobicContact CG2-CD1 3.84Å; H36-I38 HydrophobicContact CB-CG1 4.05Å; I38-L47 CarbonylContact C-O 3.54Å; I38-L47 VanDerWaalsContact CA-O 3.31Å; I38-L47 WeakPolarHBondContact CA-O 3.48Å; I38-W48 HydrophobicContact CD1-CD2 3.99Å; I38-W48 HydrophobicContact CD1-CE3 3.85Å; I38-W48 HydrophobicContact CD1-CH2 3.6Å; I38-W48 HydrophobicContact CD1-CZ2 3.74Å; I38-W48 HydrophobicContact CD1-CZ3 3.66Å; I38-W48 HydrophobicContact CG1-CD2 3.84Å; I38-W48 HydrophobicContact CG1-CE3 3.95Å; I38-W48 HydrophobicContact CG1-CG 4.29Å; I38-W48 HydrophobicContact CG1-CZ2 4.42Å; I38-W48 HydrophobicContact CG1-CZ3 4.29Å; I38-W48 HydrophobicContact CG2-CD2 4.43Å; I38-W48 HydrophobicContact CG2-CG 4.48Å |
| 39 | F | 93.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113.7 | 169.4 | 174.9 | -97.4 | 0 | 0 | 0 | 109.1 | V14 W16 R26 L30 E46 L47 L81 | V14-F39 HydrophobicContact CB-CE2 4.28Å; V14-F39 HydrophobicContact CG1-CE2 4.3Å; V14-F39 WeakPolarHBondContact O-CE2 3.46Å; W16-F39 HydrophobicContact CB-CD1 4.22Å; W16-F39 HydrophobicContact CB-CE1 3.7Å; W16-F39 HydrophobicContact CB-CE2 4.32Å; W16-F39 HydrophobicContact CB-CZ 3.78Å; W16-F39 HydrophobicContact CE3-CD1 4.21Å; W16-F39 HydrophobicContact CE3-CE1 4.14Å; R26-F39 HydrophobicContact CB-CE1 4.08Å; R26-F39 HydrophobicContact CB-CZ 4.31Å; R26-F39 VanDerWaalsContact O-CZ 3.3Å; R26-F39 WeakPolarHBondContact O-CZ 3.42Å; L30-F39 HydrophobicContact CD1-CB 4.34Å; F39-E46 CarbonylContact O-C 3.55Å; F39-E46 WeakPolarHBondContact O-CA 3.29Å; F39-L47 HydrophobicContact CB-CB 4.32Å; F39-L47 PolarHBondContact N-O 3.37Å; F39-L47 PolarHBondContact O-N 2.99Å; F39-L81 HydrophobicContact CD2-CD2 4.46Å |
| 40 | A | 92.6 | Very high | 89 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 109.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G28 T29 Y31 K45 E46 | G28-A40 CarbonylContact C-O 3.57Å; G28-A40 WeakPolarHBondContact CA-O 3.3Å; T29-A40 PolarHBondContact N-O 3.12Å; T29-A40 PolarHBondContact O-N 3.27Å; Y31-A40 HydrophobicContact CE2-CB 3.96Å; A40-K45 CarbonylContact C-O 3.56Å; A40-K45 WeakPolarHBondContact CA-O 3.18Å; A40-E46 HydrophobicContact CB-CG 4.25Å |
| 41 | S | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 155 | 179 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | D43 G44 K45 | S41-D43 WeakPolarHBondContact CB-OD1 3.39Å; S41-D43 PolarHBondContact O-N 3.36Å; S41-D43 VanDerWaalsContact O-N 3.1Å; S41-D43 PolarHBondContact OG-OD1 3.02Å; S41-G44 PolarHBondContact O-N 2.68Å; S41-K45 PolarHBondContact N-O 2.94Å; S41-K45 WeakPolarHBondContact OG-CB 3.33Å; S41-K45 PolarHBondContact OG-N 3.15Å; S41-K45 PolarHBondContact OG-O 3.39Å |
| 42 | K | 88.9 | Confident | 88.6 | Confident | 154 Ų | 154 | 40.9 Ų | 40.9 | 67% | 0.67 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.2 | 178.9 | -71.3 | -179.7 | -179.8 | 178.5 | 0 | 114 | N13 T27 G44 | N13-K42 PolarHBondContact OD1-NZ 3.16Å; N13-K42 VanDerWaalsContact OD1-NZ 3.13Å; T27-K42 HydrophobicContact CG2-CD 4.38Å; T27-K42 WeakPolarHBondContact O-CG 3.4Å; T27-K42 PolarHBondContact O-N 3.23Å; K42-G44 VanDerWaalsContact C-N 3.28Å |
| 43 | D | 82 | Confident | 88.4 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 5.6 | 173.8 | 71.3 | -17.8 | 0 | 0 | 0 | 113.9 | S41 K45 | S41-D43 WeakPolarHBondContact CB-OD1 3.39Å; S41-D43 PolarHBondContact O-N 3.36Å; S41-D43 VanDerWaalsContact O-N 3.1Å; S41-D43 PolarHBondContact OG-OD1 3.02Å; D43-K45 PolarHBondContact OD1-N 2.73Å |
| 44 | G | 79.4 | Confident | 88.5 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 69% | 0.691 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 84 | 10.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S41 K42 | S41-G44 PolarHBondContact O-N 2.68Å; K42-G44 VanDerWaalsContact C-N 3.28Å |
| 45 | K | 78.4 | Confident | 88.7 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | trans | -88.1 | 145 | 172.7 | -65.2 | 176.7 | 179.4 | 173.6 | 0 | 110.8 | A40 S41 D43 W625 | A40-K45 CarbonylContact C-O 3.56Å; A40-K45 WeakPolarHBondContact CA-O 3.18Å; S41-K45 PolarHBondContact N-O 2.94Å; S41-K45 WeakPolarHBondContact OG-CB 3.33Å; S41-K45 PolarHBondContact OG-N 3.15Å; S41-K45 PolarHBondContact OG-O 3.39Å; D43-K45 PolarHBondContact OD1-N 2.73Å; K45-W625 HydrophobicContact CB-CZ2 4.43Å; K45-W625 HydrophobicContact CD-CH2 4.28Å; K45-W625 HydrophobicContact CD-CZ2 4.49Å | ||
| 46 | E | 85.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.6 | 175.7 | -61.9 | -179.8 | 173.7 | 0 | 0 | 110.3 | F39 A40 W48 | F39-E46 CarbonylContact O-C 3.55Å; F39-E46 WeakPolarHBondContact O-CA 3.29Å; A40-E46 HydrophobicContact CB-CG 4.25Å; E46-W48 PolarHBondContact OE2-NE1 3.41Å |
| 47 | L | 86.5 | Confident | 89 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.5 | 168.8 | 172.8 | 65.7 | 0 | 0 | 0 | 108.3 | W16 I38 F39 I49 L79 | W16-L47 HydrophobicContact CH2-CD2 4.46Å; W16-L47 HydrophobicContact CZ3-CD2 4.42Å; I38-L47 CarbonylContact C-O 3.54Å; I38-L47 VanDerWaalsContact CA-O 3.31Å; I38-L47 WeakPolarHBondContact CA-O 3.48Å; F39-L47 HydrophobicContact CB-CB 4.32Å; F39-L47 PolarHBondContact N-O 3.37Å; F39-L47 PolarHBondContact O-N 2.99Å; L47-I49 HydrophobicContact CD1-CG1 4.41Å; L47-I49 HydrophobicContact CD2-CD1 4.12Å; L47-I49 HydrophobicContact CG-CD1 4.3Å; L47-I49 HydrophobicContact CG-CG1 4.25Å; L47-L79 HydrophobicContact CD2-CD1 3.94Å; L47-L79 HydrophobicContact CD2-CD2 3.93Å |
| 48 | W | 88.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.5 | 179.9 | -69.5 | 59.4 | 0 | 0 | 0 | 109.4 | M1 L5 H36 I38 E46 | M1-W48 HydrophobicContact SD-CH2 4.25Å; L5-W48 HydrophobicContact CD1-CH2 4.02Å; L5-W48 HydrophobicContact CD1-CZ3 4.06Å; H36-W48 HydrophobicContact CB-CE3 4.17Å; H36-W48 AromaticContact CG-CE3 3.95Å; I38-W48 HydrophobicContact CD1-CD2 3.99Å; I38-W48 HydrophobicContact CD1-CE3 3.85Å; I38-W48 HydrophobicContact CD1-CH2 3.6Å; I38-W48 HydrophobicContact CD1-CZ2 3.74Å; I38-W48 HydrophobicContact CD1-CZ3 3.66Å; I38-W48 HydrophobicContact CG1-CD2 3.84Å; I38-W48 HydrophobicContact CG1-CE3 3.95Å; I38-W48 HydrophobicContact CG1-CG 4.29Å; I38-W48 HydrophobicContact CG1-CZ2 4.42Å; I38-W48 HydrophobicContact CG1-CZ3 4.29Å; I38-W48 HydrophobicContact CG2-CD2 4.43Å; I38-W48 HydrophobicContact CG2-CG 4.48Å; E46-W48 PolarHBondContact OE2-NE1 3.41Å |
| 49 | I | 89.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 113.4 | 177.2 | -63.6 | 173.5 | 0 | 0 | 0 | 108.2 | H36 L37 L47 I54 F77 L79 | H36-I49 CarbonylContact C-O 3.57Å; H36-I49 VanDerWaalsContact CA-O 3.3Å; H36-I49 WeakPolarHBondContact CA-O 3.4Å; L37-I49 HydrophobicContact CB-CB 4.41Å; L37-I49 HydrophobicContact CD2-CB 4.42Å; L37-I49 HydrophobicContact CD2-CD1 4.3Å; L37-I49 PolarHBondContact N-O 2.85Å; L37-I49 PolarHBondContact O-N 2.71Å; L47-I49 HydrophobicContact CD1-CG1 4.41Å; L47-I49 HydrophobicContact CD2-CD1 4.12Å; L47-I49 HydrophobicContact CG-CD1 4.3Å; L47-I49 HydrophobicContact CG-CG1 4.25Å; I49-I54 HydrophobicContact CG2-CD1 4.3Å; I49-I54 HydrophobicContact CG2-CG1 3.89Å; I49-F77 HydrophobicContact CD1-CD2 4.23Å; I49-F77 HydrophobicContact CD1-CE2 3.72Å; I49-F77 HydrophobicContact CD1-CZ 4.23Å; I49-F77 HydrophobicContact CG1-CE2 4.42Å; I49-F77 HydrophobicContact CG1-CZ 4.48Å; I49-F77 HydrophobicContact CG2-CE1 4.32Å; I49-F77 HydrophobicContact CG2-CE2 4.06Å; I49-F77 HydrophobicContact CG2-CZ 3.52Å; I49-L79 HydrophobicContact CD1-CB 4.36Å; I49-L79 HydrophobicContact CD1-CD2 3.47Å; I49-L79 VanDerWaalsContact CD1-CD2 3.47Å |
| 50 | A | 89.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H36 C52 Q53 | H36-A50 PolarHBondContact CD2-N 3.43Å; A50-C52 VanDerWaalsContact C-N 3.27Å; A50-C52 PolarHBondContact O-N 2.92Å; A50-Q53 HydrophobicContact CB-CG 4.31Å; A50-Q53 VanDerWaalsContact O-CB 3.32Å; A50-Q53 WeakPolarHBondContact O-CB 3.46Å; A50-Q53 PolarHBondContact O-N 3.49Å |
| 51 | Y | 91.5 | Very high | 88.6 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.4 | -32.6 | -174.8 | -60 | -53.7 | 0 | 0 | 0 | 114 | L32 T33 T35 H36 L37 Q53 I54 L96 L99 S100 | L32-Y51 WeakPolarHBondContact CA-OH 3.3Å; T33-Y51 PolarHBondContact N-OH 3.32Å; T33-Y51 WeakPolarHBondContact O-CE2 3.15Å; T33-Y51 VanDerWaalsContact O-CZ 3.29Å; T33-Y51 PolarHBondContact O-OH 3.47Å; T35-Y51 VanDerWaalsContact C-CD2 3.44Å; T35-Y51 VanDerWaalsContact C-CE2 3.45Å; T35-Y51 VanDerWaalsContact O-CD2 3.32Å; T35-Y51 WeakPolarHBondContact O-CD2 3.4Å; T35-Y51 PolarHBondContact O-N 3.46Å; H36-Y51 VanDerWaalsContact C-CZ 3.44Å; H36-Y51 PolarHBondContact O-OH 2.86Å; L37-Y51 HydrophobicContact CB-CE1 4.08Å; Y51-Q53 PolarHBondContact O-N 3.43Å; Y51-I54 HydrophobicContact CD1-CD1 4.03Å; Y51-I54 WeakPolarHBondContact O-CB 3.44Å; Y51-I54 PolarHBondContact O-N 3.04Å; Y51-L96 HydrophobicContact CD1-CD2 4.05Å; Y51-L96 HydrophobicContact CE1-CD2 3.68Å; Y51-L99 VanDerWaalsContact CB-O 3.31Å; Y51-L99 WeakPolarHBondContact CB-O 3.4Å; Y51-L99 HydrophobicContact CD1-CB 4.12Å; Y51-L99 HydrophobicContact CD2-CB 3.59Å; Y51-L99 HydrophobicContact CD2-CD1 4.22Å; Y51-L99 HydrophobicContact CD2-CG 4.4Å; Y51-L99 HydrophobicContact CE1-CB 4.28Å; Y51-L99 HydrophobicContact CE1-CD1 4.2Å; Y51-L99 HydrophobicContact CE2-CB 3.74Å; Y51-L99 HydrophobicContact CE2-CD1 3.46Å; Y51-L99 VanDerWaalsContact CE2-CD1 3.46Å; Y51-L99 HydrophobicContact CE2-CG 4.1Å; Y51-L99 HydrophobicContact CG-CB 3.78Å; Y51-L99 VanDerWaalsContact CZ-CD1 3.43Å; Y51-L99 WeakPolarHBondContact OH-CD1 3.43Å; Y51-S100 WeakPolarHBondContact O-CB 3.4Å |
| 52 | C | 89.9 | Confident | 88.7 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.2 | 175 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | A50 K74 P109 S433 C434 | A50-C52 VanDerWaalsContact C-N 3.27Å; A50-C52 PolarHBondContact O-N 2.92Å; C52-K74 WeakPolarHBondContact O-CD 3.29Å; C52-K74 VanDerWaalsContact O-CE 3.25Å; C52-K74 WeakPolarHBondContact O-CE 3.5Å; C52-K74 PolarHBondContact O-NZ 3.28Å; C52-P109 HydrophobicContact CB-CG 4.33Å; C52-S433 PolarHBondContact SG-O 3.25Å; C52-C434 HydrophobicContact CB-CB 4.17Å |
| 53 | Q | 90.1 | Very high | 88.6 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -82.3 | -14.3 | 177.8 | -68.9 | -77.4 | -6.4 | 0 | 0 | 112.4 | A50 Y51 A55 G73 K74 T75 F77 E429 | A50-Q53 HydrophobicContact CB-CG 4.31Å; A50-Q53 VanDerWaalsContact O-CB 3.32Å; A50-Q53 WeakPolarHBondContact O-CB 3.46Å; A50-Q53 PolarHBondContact O-N 3.49Å; Y51-Q53 PolarHBondContact O-N 3.43Å; Q53-A55 PolarHBondContact O-N 3.34Å; Q53-G73 CarbonylContact O-C 3.54Å; Q53-G73 VanDerWaalsContact O-CA 3.26Å; Q53-G73 WeakPolarHBondContact O-CA 3.48Å; Q53-K74 PolarHBondContact O-N 3.24Å; Q53-T75 PolarHBondContact OE1-OG1 3.28Å; Q53-F77 HydrophobicContact CB-CE1 4.03Å; Q53-F77 HydrophobicContact CB-CZ 4.48Å; Q53-E429 PolarHBondContact NE2-O 3.47Å; Q53-E429 VanDerWaalsContact NE2-O 3.17Å |
| 54 | I | 92.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.9 | 177.4 | -59.1 | 177.9 | 0 | 0 | 0 | 108.2 | I49 Y51 V57 I71 K74 L96 | I49-I54 HydrophobicContact CG2-CD1 4.3Å; I49-I54 HydrophobicContact CG2-CG1 3.89Å; Y51-I54 HydrophobicContact CD1-CD1 4.03Å; Y51-I54 WeakPolarHBondContact O-CB 3.44Å; Y51-I54 PolarHBondContact O-N 3.04Å; I54-V57 HydrophobicContact CG2-CG2 3.76Å; I54-I71 HydrophobicContact CB-CG2 4.46Å; I54-I71 HydrophobicContact CD1-CG2 4.02Å; I54-I71 HydrophobicContact CG1-CG2 3.89Å; I54-I71 HydrophobicContact CG2-CG2 3.9Å; I54-K74 WeakPolarHBondContact O-CE 3.48Å; I54-L96 HydrophobicContact CD1-CD2 3.99Å |
| 55 | A | 89.4 | Confident | 89.3 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q53 V72 K74 | Q53-A55 PolarHBondContact O-N 3.34Å; A55-V72 WeakPolarHBondContact CA-O 3.44Å; A55-V72 WeakPolarHBondContact CB-O 3.36Å; A55-V72 PolarHBondContact N-O 3.08Å; A55-K74 HydrophobicContact CB-CG 3.7Å |
| 56 | N | 88.7 | Confident | 90 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.353 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 150.2 | -176.9 | -164.4 | 7.1 | 0 | 0 | 0 | 111.1 | Q58 V72 | N56-Q58 PolarHBondContact ND2-NE2 2.84Å; N56-V72 HydrophobicContact CB-CB 4.47Å; N56-V72 PolarHBondContact N-O 2.95Å; N56-V72 PolarHBondContact O-N 2.93Å |
| 57 | V | 93 | Very high | 90.5 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.7 | 170.4 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | I54 I69 L70 L96 L97 | I54-V57 HydrophobicContact CG2-CG2 3.76Å; V57-I69 HydrophobicContact CG1-CG2 3.76Å; V57-L70 CarbonylContact C-O 3.5Å; V57-L70 WeakPolarHBondContact CA-O 3.41Å; V57-L96 HydrophobicContact CG1-CD1 4.37Å; V57-L96 HydrophobicContact CG2-CB 3.99Å; V57-L96 HydrophobicContact CG2-CD1 4.4Å; V57-L97 HydrophobicContact CB-CD2 4.12Å; V57-L97 HydrophobicContact CB-CG 4.49Å; V57-L97 HydrophobicContact CG2-CD2 4.48Å |
| 58 | Q | 91.5 | Very high | 90.9 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.7 | -178.4 | -56.6 | 176.2 | 3.8 | 0 | 0 | 109.7 | N56 P60 L70 | N56-Q58 PolarHBondContact ND2-NE2 2.84Å; Q58-P60 VanDerWaalsContact C-CD 3.43Å; Q58-P60 VanDerWaalsContact O-CD 3.25Å; Q58-P60 WeakPolarHBondContact O-CD 3.27Å; Q58-L70 HydrophobicContact CB-CB 4.23Å; Q58-L70 PolarHBondContact N-O 2.99Å; Q58-L70 PolarHBondContact O-N 3.36Å |
| 59 | L | 92.5 | Very high | 91.2 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | trans | -113.3 | 82.2 | 171.3 | -63.8 | 175.7 | 0 | 0 | 0 | 109.5 | C68 I69 C93 | L59-C68 WeakPolarHBondContact CA-O 3.47Å; L59-I69 HydrophobicContact CD2-CG1 3.9Å; L59-C93 HydrophobicContact CD1-CB 4.45Å; L59-C93 HydrophobicContact CD2-CB 4.27Å | ||
| 60 | P | 90.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 170.4 | 171.9 | -21.4 | 33.1 | 0 | 0 | 0 | 112.6 | Q58 C68 L70 | Q58-P60 VanDerWaalsContact C-CD 3.43Å; Q58-P60 VanDerWaalsContact O-CD 3.25Å; Q58-P60 WeakPolarHBondContact O-CD 3.27Å; P60-C68 HydrophobicContact CB-CB 4.39Å; P60-C68 VanDerWaalsContact CD-O 3.31Å; P60-C68 WeakPolarHBondContact CD-O 3.26Å; P60-L70 HydrophobicContact CG-CB 3.69Å; P60-L70 HydrophobicContact CG-CD2 4.14Å |
| 61 | P | 91.7 | Very high | 91.4 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 75% | 0.753 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 143.6 | 172.5 | -25.3 | 34.8 | 0 | 0 | 0 | 112.6 | ||
| 62 | S | 91.1 | Very high | 91.4 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 144.6 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | S66 | S62-S66 CarbonylContact C-O 3.55Å; S62-S66 WeakPolarHBondContact CA-O 3.44Å; S62-S66 WeakPolarHBondContact CB-O 3.42Å |
| 63 | V | 87.1 | Confident | 91.4 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 125.6 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | G65 S66 L82 | V63-G65 PolarHBondContact O-N 2.96Å; V63-G65 VanDerWaalsContact O-N 3.14Å; V63-S66 PolarHBondContact N-O 2.8Å; V63-S66 PolarHBondContact O-N 2.94Å; V63-L82 HydrophobicContact CB-CD1 4.44Å; V63-L82 HydrophobicContact CB-CD2 3.95Å; V63-L82 HydrophobicContact CG1-CD1 4.44Å; V63-L82 HydrophobicContact CG2-CD2 4.31Å |
| 64 | N | 87 | Confident | 91.4 | Very high | 150 Ų | 150 | 44.5 Ų | 44.5 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 33.9 | 179.7 | -57.6 | -25 | 0 | 0 | 0 | 114.2 | S66 | N64-S66 VanDerWaalsContact C-N 3.27Å; N64-S66 PolarHBondContact O-N 2.73Å |
| 65 | G | 89.6 | Confident | 91.2 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -7.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V63 | V63-G65 PolarHBondContact O-N 2.96Å; V63-G65 VanDerWaalsContact O-N 3.14Å |
| 66 | S | 93.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 144.2 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | S62 V63 N64 V83 H84 | S62-S66 CarbonylContact C-O 3.55Å; S62-S66 WeakPolarHBondContact CA-O 3.44Å; S62-S66 WeakPolarHBondContact CB-O 3.42Å; V63-S66 PolarHBondContact N-O 2.8Å; V63-S66 PolarHBondContact O-N 2.94Å; N64-S66 VanDerWaalsContact C-N 3.27Å; N64-S66 PolarHBondContact O-N 2.73Å; S66-V83 CarbonylContact C-O 3.44Å; S66-H84 PolarHBondContact OG-CE1 2.67Å; S66-H84 VanDerWaalsContact OG-CE1 3.23Å; S66-H84 PolarHBondContact OG-ND1 3.16Å |
| 67 | C | 95.5 | Very high | 90.9 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 138.7 | 170.9 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | L82 V83 C89 | C67-L82 WeakPolarHBondContact O-CA 3.48Å; C67-V83 PolarHBondContact N-O 2.8Å; C67-V83 PolarHBondContact O-N 2.93Å; C67-C89 HydrophobicContact CB-CB 3.6Å; C67-C89 WeakPolarHBondContact CB-SG 3.16Å |
| 68 | C | 94.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.1 | -177.6 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L59 P60 T80 L82 | L59-C68 WeakPolarHBondContact CA-O 3.47Å; P60-C68 HydrophobicContact CB-CB 4.39Å; P60-C68 VanDerWaalsContact CD-O 3.31Å; P60-C68 WeakPolarHBondContact CD-O 3.26Å; C68-T80 WeakPolarHBondContact SG-CG2 3.3Å; C68-L82 HydrophobicContact CB-CD2 4.08Å |
| 69 | I | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.2 | 171.6 | -53 | 179.5 | 0 | 0 | 0 | 107.9 | V57 L59 I71 T80 L81 V83 C89 V92 | V57-I69 HydrophobicContact CG1-CG2 3.76Å; L59-I69 HydrophobicContact CD2-CG1 3.9Å; I69-I71 HydrophobicContact CG2-CG1 4.11Å; I69-T80 CarbonylContact O-C 3.46Å; I69-T80 WeakPolarHBondContact O-CA 3.46Å; I69-L81 HydrophobicContact CB-CB 4.35Å; I69-L81 PolarHBondContact N-O 3.15Å; I69-L81 PolarHBondContact O-N 3.22Å; I69-V83 HydrophobicContact CD1-CG2 3.82Å; I69-V83 HydrophobicContact CG1-CG2 4.41Å; I69-C89 VanDerWaalsContact CG1-SG 3.55Å; I69-V92 HydrophobicContact CD1-CB 3.88Å; I69-V92 HydrophobicContact CD1-CG1 3.51Å |
| 70 | L | 92.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.4 | 177 | 179.5 | 67.9 | 0 | 0 | 0 | 109.6 | V57 Q58 P60 V72 C78 T80 | V57-L70 CarbonylContact C-O 3.5Å; V57-L70 WeakPolarHBondContact CA-O 3.41Å; Q58-L70 HydrophobicContact CB-CB 4.23Å; Q58-L70 PolarHBondContact N-O 2.99Å; Q58-L70 PolarHBondContact O-N 3.36Å; P60-L70 HydrophobicContact CG-CB 3.69Å; P60-L70 HydrophobicContact CG-CD2 4.14Å; L70-V72 HydrophobicContact CD2-CG2 4.42Å; L70-V72 HydrophobicContact CG-CG2 4.2Å; L70-C78 WeakPolarHBondContact CD1-SG 3.28Å; L70-T80 WeakPolarHBondContact CD1-OG1 3.5Å |
| 71 | I | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.9 | 178.2 | -55.5 | 174.9 | 0 | 0 | 0 | 108 | L37 I54 I69 F77 C78 L79 L81 L96 | L37-I71 HydrophobicContact CD1-CD1 3.44Å; L37-I71 VanDerWaalsContact CD1-CD1 3.44Å; I54-I71 HydrophobicContact CB-CG2 4.46Å; I54-I71 HydrophobicContact CD1-CG2 4.02Å; I54-I71 HydrophobicContact CG1-CG2 3.89Å; I54-I71 HydrophobicContact CG2-CG2 3.9Å; I69-I71 HydrophobicContact CG2-CG1 4.11Å; I71-F77 HydrophobicContact CG2-CE2 4.06Å; I71-C78 WeakPolarHBondContact O-CA 3.44Å; I71-L79 HydrophobicContact CB-CB 4.26Å; I71-L79 HydrophobicContact CD1-CD2 4.22Å; I71-L79 PolarHBondContact N-O 3.25Å; I71-L79 PolarHBondContact O-N 3.46Å; I71-L81 HydrophobicContact CD1-CD1 4.03Å; I71-L96 HydrophobicContact CD1-CD1 3.69Å; I71-L96 HydrophobicContact CG1-CD1 4.26Å |
| 72 | V | 89.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.2 | 178 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | A55 N56 L70 | A55-V72 WeakPolarHBondContact CA-O 3.44Å; A55-V72 WeakPolarHBondContact CB-O 3.36Å; A55-V72 PolarHBondContact N-O 3.08Å; N56-V72 HydrophobicContact CB-CB 4.47Å; N56-V72 PolarHBondContact N-O 2.95Å; N56-V72 PolarHBondContact O-N 2.93Å; L70-V72 HydrophobicContact CD2-CG2 4.42Å; L70-V72 HydrophobicContact CG-CG2 4.2Å |
| 73 | G | 91 | Very high | 90.9 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 151 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q53 T75 F76 F77 | Q53-G73 CarbonylContact O-C 3.54Å; Q53-G73 VanDerWaalsContact O-CA 3.26Å; Q53-G73 WeakPolarHBondContact O-CA 3.48Å; G73-T75 PolarHBondContact O-N 3.17Å; G73-F76 PolarHBondContact O-N 3.31Å; G73-F77 PolarHBondContact N-O 3.16Å |
| 74 | K | 90.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 12% | 0.122 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.2 | 170.8 | -62.5 | -179.1 | -173.9 | 170.3 | 0 | 112.4 | C52 Q53 I54 A55 A385 Y432 | C52-K74 WeakPolarHBondContact O-CD 3.29Å; C52-K74 VanDerWaalsContact O-CE 3.25Å; C52-K74 WeakPolarHBondContact O-CE 3.5Å; C52-K74 PolarHBondContact O-NZ 3.28Å; Q53-K74 PolarHBondContact O-N 3.24Å; I54-K74 WeakPolarHBondContact O-CE 3.48Å; A55-K74 HydrophobicContact CB-CG 3.7Å; K74-A385 PolarHBondContact NZ-O 3.24Å; K74-Y432 HydrophobicContact CB-CD1 3.61Å; K74-Y432 HydrophobicContact CB-CD2 4.28Å; K74-Y432 HydrophobicContact CB-CE1 4.19Å; K74-Y432 HydrophobicContact CB-CG 3.65Å; K74-Y432 HydrophobicContact CD-CD1 3.72Å; K74-Y432 HydrophobicContact CD-CG 4.31Å; K74-Y432 HydrophobicContact CG-CD1 4.19Å |
| 75 | T | 88.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 29.3 | 179.1 | 45.7 | 0 | 0 | 0 | 0 | 113 | Q53 G73 F77 Y432 Y507 | Q53-T75 PolarHBondContact OE1-OG1 3.28Å; G73-T75 PolarHBondContact O-N 3.17Å; T75-F77 VanDerWaalsContact C-N 3.29Å; T75-F77 PolarHBondContact O-N 2.99Å; T75-Y432 HydrophobicContact CG2-CD2 3.84Å; T75-Y432 HydrophobicContact CG2-CG 4.38Å; T75-Y507 VanDerWaalsContact O-CE2 3.23Å; T75-Y507 WeakPolarHBondContact O-CE2 3.31Å |
| 76 | F | 87.4 | Confident | 91.6 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 72 | 16.4 | 169.9 | -51.8 | -40.2 | 0 | 0 | 0 | 115.3 | G73 L282 L286 W290 T400 L503 Y504 | G73-F76 PolarHBondContact O-N 3.31Å; F76-L282 HydrophobicContact CE1-CD1 4.34Å; F76-L282 HydrophobicContact CE1-CD2 3.85Å; F76-L282 HydrophobicContact CE1-CG 4.43Å; F76-L282 HydrophobicContact CZ-CD1 4.34Å; F76-L282 HydrophobicContact CZ-CD2 4Å; F76-L286 HydrophobicContact CD1-CD1 3.61Å; F76-L286 HydrophobicContact CD1-CD2 3.79Å; F76-L286 HydrophobicContact CD1-CG 4.35Å; F76-L286 HydrophobicContact CE1-CD1 3.72Å; F76-L286 HydrophobicContact CE1-CD2 4.22Å; F76-L286 HydrophobicContact CG-CD2 4.27Å; F76-W290 VanDerWaalsContact CA-CZ2 3.48Å; F76-W290 HydrophobicContact CB-CH2 4.23Å; F76-W290 HydrophobicContact CB-CZ2 3.59Å; F76-W290 HydrophobicContact CD1-CH2 4.26Å; F76-W290 HydrophobicContact CD1-CZ2 4.2Å; F76-W290 HydrophobicContact CG-CZ2 4.29Å; F76-W290 WeakPolarHBondContact O-CZ2 3.44Å; F76-T400 HydrophobicContact CE2-CG2 4.17Å; F76-T400 HydrophobicContact CZ-CG2 4.03Å; F76-L503 HydrophobicContact CD2-CD1 4.1Å; F76-L503 HydrophobicContact CD2-CG 3.97Å; F76-L503 HydrophobicContact CE2-CD1 4.1Å; F76-L503 HydrophobicContact CE2-CD2 4.03Å; F76-L503 HydrophobicContact CE2-CG 3.85Å; F76-Y504 AromaticContact CD2-CD1 3.71Å; F76-Y504 HydrophobicContact CD2-CD1 3.71Å; F76-Y504 HydrophobicContact CD2-CE1 4.08Å; F76-Y504 HydrophobicContact CE1-CD1 4.48Å; F76-Y504 HydrophobicContact CE1-CE1 4.41Å; F76-Y504 AromaticContact CE2-CD1 3.6Å; F76-Y504 HydrophobicContact CE2-CD1 3.6Å; F76-Y504 AromaticContact CE2-CE1 3.47Å; F76-Y504 HydrophobicContact CE2-CE1 3.47Å; F76-Y504 VanDerWaalsContact CE2-CE1 3.47Å; F76-Y504 HydrophobicContact CG-CD1 4.19Å; F76-Y504 HydrophobicContact CZ-CD1 4.02Å; F76-Y504 AromaticContact CZ-CE1 3.67Å; F76-Y504 HydrophobicContact CZ-CE1 3.67Å |
| 77 | F | 84.7 | Confident | 91.6 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | trans | -87.3 | 152.1 | 166.7 | 73.5 | -96 | 0 | 0 | 0 | 111.5 | I49 Q53 I71 G73 T75 Y507 | I49-F77 HydrophobicContact CD1-CD2 4.23Å; I49-F77 HydrophobicContact CD1-CE2 3.72Å; I49-F77 HydrophobicContact CD1-CZ 4.23Å; I49-F77 HydrophobicContact CG1-CE2 4.42Å; I49-F77 HydrophobicContact CG1-CZ 4.48Å; I49-F77 HydrophobicContact CG2-CE1 4.32Å; I49-F77 HydrophobicContact CG2-CE2 4.06Å; I49-F77 HydrophobicContact CG2-CZ 3.52Å; Q53-F77 HydrophobicContact CB-CE1 4.03Å; Q53-F77 HydrophobicContact CB-CZ 4.48Å; I71-F77 HydrophobicContact CG2-CE2 4.06Å; G73-F77 PolarHBondContact N-O 3.16Å; T75-F77 VanDerWaalsContact C-N 3.29Å; T75-F77 PolarHBondContact O-N 2.99Å; F77-Y507 VanDerWaalsContact CA-CD2 3.46Å; F77-Y507 HydrophobicContact CB-CD1 3.63Å; F77-Y507 HydrophobicContact CB-CD2 3.36Å; F77-Y507 HydrophobicContact CB-CE1 3.82Å; F77-Y507 HydrophobicContact CB-CE2 3.59Å; F77-Y507 HydrophobicContact CB-CG 3.37Å; F77-Y507 HydrophobicContact CD1-CE2 4.41Å | ||
| 78 | C | 84.5 | Confident | 91.5 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 42% | 0.419 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 118.1 | 174.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | L70 I71 | L70-C78 WeakPolarHBondContact CD1-SG 3.28Å; I71-C78 WeakPolarHBondContact O-CA 3.44Å |
| 79 | L | 88.3 | Confident | 91.5 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.1 | 179.9 | 173.9 | 64.2 | 0 | 0 | 0 | 108.9 | W16 L37 L47 I49 I71 L81 | W16-L79 HydrophobicContact CD2-CD1 4.04Å; W16-L79 HydrophobicContact CG-CD1 3.72Å; L37-L79 HydrophobicContact CD2-CD2 4.17Å; L47-L79 HydrophobicContact CD2-CD1 3.94Å; L47-L79 HydrophobicContact CD2-CD2 3.93Å; I49-L79 HydrophobicContact CD1-CB 4.36Å; I49-L79 HydrophobicContact CD1-CD2 3.47Å; I49-L79 VanDerWaalsContact CD1-CD2 3.47Å; I71-L79 HydrophobicContact CB-CB 4.26Å; I71-L79 HydrophobicContact CD1-CD2 4.22Å; I71-L79 PolarHBondContact N-O 3.25Å; I71-L79 PolarHBondContact O-N 3.46Å; L79-L81 HydrophobicContact CD1-CD2 3.86Å; L79-L81 HydrophobicContact CD1-CG 4.48Å; L79-L81 HydrophobicContact CD2-CD1 4.28Å; L79-L81 HydrophobicContact CD2-CD2 4.06Å; L79-L81 HydrophobicContact CD2-CG 4.2Å; L79-L81 HydrophobicContact CG-CD2 3.93Å; L79-L81 HydrophobicContact CG-CG 4.03Å |
| 80 | T | 91.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 171.9 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | Y17 Q19 C68 I69 L70 | Y17-T80 HydrophobicContact CD1-CG2 4.06Å; Y17-T80 PolarHBondContact N-O 2.96Å; Y17-T80 WeakPolarHBondContact O-CB 3.49Å; Q19-T80 PolarHBondContact NE2-OG1 3.34Å; C68-T80 WeakPolarHBondContact SG-CG2 3.3Å; I69-T80 CarbonylContact O-C 3.46Å; I69-T80 WeakPolarHBondContact O-CA 3.46Å; L70-T80 WeakPolarHBondContact CD1-OG1 3.5Å |
| 81 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.7 | 175.6 | -58.6 | 177.3 | 0 | 0 | 0 | 109.3 | V14 V15 W16 L30 L37 F39 I69 I71 L79 | V14-L81 HydrophobicContact CG1-CB 3.95Å; V14-L81 HydrophobicContact CG1-CD2 4.05Å; V14-L81 HydrophobicContact CG1-CG 4.4Å; V15-L81 CarbonylContact O-C 3.6Å; V15-L81 WeakPolarHBondContact O-CA 3.4Å; W16-L81 HydrophobicContact CB-CD2 4.31Å; L30-L81 HydrophobicContact CD1-CD1 3.83Å; L30-L81 HydrophobicContact CD2-CD1 3.97Å; L37-L81 HydrophobicContact CD1-CD1 4.36Å; F39-L81 HydrophobicContact CD2-CD2 4.46Å; I69-L81 HydrophobicContact CB-CB 4.35Å; I69-L81 PolarHBondContact N-O 3.15Å; I69-L81 PolarHBondContact O-N 3.22Å; I71-L81 HydrophobicContact CD1-CD1 4.03Å; L79-L81 HydrophobicContact CD1-CD2 3.86Å; L79-L81 HydrophobicContact CD1-CG 4.48Å; L79-L81 HydrophobicContact CD2-CD1 4.28Å; L79-L81 HydrophobicContact CD2-CD2 4.06Å; L79-L81 HydrophobicContact CD2-CG 4.2Å; L79-L81 HydrophobicContact CG-CD2 3.93Å; L79-L81 HydrophobicContact CG-CG 4.03Å |
| 82 | L | 95.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.1 | 169.6 | -52.1 | 177.8 | 0 | 0 | 0 | 109 | V15 Y17 V63 C67 C68 | V15-L82 HydrophobicContact CB-CB 4.15Å; V15-L82 PolarHBondContact N-O 2.91Å; V15-L82 PolarHBondContact O-N 3.1Å; Y17-L82 HydrophobicContact CD2-CD1 3.74Å; Y17-L82 HydrophobicContact CE2-CD1 4.4Å; Y17-L82 HydrophobicContact CG-CD1 3.86Å; Y17-L82 HydrophobicContact CG-CG 4.18Å; V63-L82 HydrophobicContact CB-CD1 4.44Å; V63-L82 HydrophobicContact CB-CD2 3.95Å; V63-L82 HydrophobicContact CG1-CD1 4.44Å; V63-L82 HydrophobicContact CG2-CD2 4.31Å; C67-L82 WeakPolarHBondContact O-CA 3.48Å; C68-L82 HydrophobicContact CB-CD2 4.08Å |
| 83 | V | 95.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.5 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 108 | V11 V14 S66 C67 I69 D88 C89 | V11-V83 HydrophobicContact CG1-CG1 4Å; V14-V83 HydrophobicContact CG1-CG2 4.38Å; V14-V83 HydrophobicContact CG2-CG2 4.28Å; S66-V83 CarbonylContact C-O 3.44Å; C67-V83 PolarHBondContact N-O 2.8Å; C67-V83 PolarHBondContact O-N 2.93Å; I69-V83 HydrophobicContact CD1-CG2 3.82Å; I69-V83 HydrophobicContact CG1-CG2 4.41Å; V83-D88 HydrophobicContact CG1-CB 3.88Å; V83-C89 HydrophobicContact CB-CB 4.15Å; V83-C89 HydrophobicContact CG1-CB 4.19Å |
| 84 | H | 93.3 | Very high | 91.7 | Very high | 125 Ų | 125 | 41.5 Ų | 41.5 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -73.2 | -44.3 | -176.2 | -76.4 | -73.6 | 0 | 0 | 0 | 112.8 | S66 | S66-H84 PolarHBondContact OG-CE1 2.67Å; S66-H84 VanDerWaalsContact OG-CE1 3.23Å; S66-H84 PolarHBondContact OG-ND1 3.16Å |
| 85 | D | 92.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | -85.4 | 133 | -179.2 | -178 | 75 | 0 | 0 | 0 | 111.8 | S87 D88 C89 | D85-S87 VanDerWaalsContact OD2-CA 3.28Å; D85-S87 WeakPolarHBondContact OD2-CA 3.12Å; D85-S87 WeakPolarHBondContact OD2-CB 3.42Å; D85-S87 PolarHBondContact OD2-N 3.01Å; D85-D88 HydrophobicContact CB-CB 4.03Å; D85-D88 PolarHBondContact OD2-N 3.08Å; D85-C89 WeakPolarHBondContact O-CB 3.15Å; D85-C89 PolarHBondContact O-N 3.19Å | ||
| 86 | Q | 91.9 | Very high | 92.1 | Very high | 152 Ų | 152 | 41.2 Ų | 41.2 | 71% | 0.71 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71.2 | -32.4 | -177 | -175 | 174.1 | -4.6 | 0 | 0 | 112.4 | C89 A90 | Q86-C89 PolarHBondContact O-N 3.11Å; Q86-A90 PolarHBondContact O-N 3.23Å |
| 87 | S | 92.8 | Very high | 92.2 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -72.1 | -43.3 | 178.5 | -45.4 | 0 | 0 | 0 | 0 | 110.4 | D85 C89 A90 N91 | D85-S87 VanDerWaalsContact OD2-CA 3.28Å; D85-S87 WeakPolarHBondContact OD2-CA 3.12Å; D85-S87 WeakPolarHBondContact OD2-CB 3.42Å; D85-S87 PolarHBondContact OD2-N 3.01Å; S87-C89 VanDerWaalsContact C-N 3.31Å; S87-C89 PolarHBondContact O-N 2.65Å; S87-A90 PolarHBondContact O-N 3.02Å; S87-N91 WeakPolarHBondContact O-CB 3.43Å; S87-N91 PolarHBondContact O-N 3.26Å |
| 88 | D | 94.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.4 | -75.1 | -19.2 | 0 | 0 | 0 | 111 | V11 V83 D85 A90 N91 V92 | V11-D88 HydrophobicContact CG1-CB 4.01Å; V11-D88 HydrophobicContact CG2-CB 4.07Å; V83-D88 HydrophobicContact CG1-CB 3.88Å; D85-D88 HydrophobicContact CB-CB 4.03Å; D85-D88 PolarHBondContact OD2-N 3.08Å; D88-A90 PolarHBondContact O-N 3.02Å; D88-N91 PolarHBondContact O-N 3.29Å; D88-V92 WeakPolarHBondContact O-CB 3.28Å; D88-V92 VanDerWaalsContact O-CG2 3.26Å; D88-V92 WeakPolarHBondContact O-CG2 3.34Å; D88-V92 PolarHBondContact O-N 2.83Å |
| 89 | C | 94.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | C67 I69 V83 D85 Q86 S87 C93 | C67-C89 HydrophobicContact CB-CB 3.6Å; C67-C89 WeakPolarHBondContact CB-SG 3.16Å; I69-C89 VanDerWaalsContact CG1-SG 3.55Å; V83-C89 HydrophobicContact CB-CB 4.15Å; V83-C89 HydrophobicContact CG1-CB 4.19Å; D85-C89 WeakPolarHBondContact O-CB 3.15Å; D85-C89 PolarHBondContact O-N 3.19Å; Q86-C89 PolarHBondContact O-N 3.11Å; S87-C89 VanDerWaalsContact C-N 3.31Å; S87-C89 PolarHBondContact O-N 2.65Å; C89-C93 WeakPolarHBondContact O-CB 3.28Å; C89-C93 PolarHBondContact O-N 3.31Å |
| 90 | A | 92.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q86 S87 D88 V92 C93 D94 | Q86-A90 PolarHBondContact O-N 3.23Å; S87-A90 PolarHBondContact O-N 3.02Å; D88-A90 PolarHBondContact O-N 3.02Å; A90-V92 PolarHBondContact O-N 3.37Å; A90-C93 WeakPolarHBondContact O-CB 3.14Å; A90-C93 PolarHBondContact O-N 3.47Å; A90-D94 PolarHBondContact O-N 2.9Å |
| 91 | N | 93.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 179 | -174.7 | 24.4 | 0 | 0 | 0 | 112.6 | S87 D88 T95 | S87-N91 WeakPolarHBondContact O-CB 3.43Å; S87-N91 PolarHBondContact O-N 3.26Å; D88-N91 PolarHBondContact O-N 3.29Å; N91-T95 VanDerWaalsContact O-CB 3.23Å; N91-T95 WeakPolarHBondContact O-CB 3.5Å; N91-T95 PolarHBondContact O-N 3.24Å; N91-T95 PolarHBondContact O-OG1 2.92Å; N91-T95 PolarHBondContact OD1-OG1 3.06Å |
| 92 | V | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | V11 L30 L32 I69 D88 A90 L96 | V11-V92 HydrophobicContact CG2-CG2 3.63Å; L30-V92 HydrophobicContact CD2-CG1 3.74Å; L30-V92 HydrophobicContact CD2-CG2 3.94Å; L32-V92 HydrophobicContact CD1-CB 4.41Å; L32-V92 HydrophobicContact CD1-CG1 4.23Å; L32-V92 HydrophobicContact CD1-CG2 4.37Å; I69-V92 HydrophobicContact CD1-CB 3.88Å; I69-V92 HydrophobicContact CD1-CG1 3.51Å; D88-V92 WeakPolarHBondContact O-CB 3.28Å; D88-V92 VanDerWaalsContact O-CG2 3.26Å; D88-V92 WeakPolarHBondContact O-CG2 3.34Å; D88-V92 PolarHBondContact O-N 2.83Å; A90-V92 PolarHBondContact O-N 3.37Å; V92-L96 HydrophobicContact CG1-CD1 3.8Å; V92-L96 HydrophobicContact CG1-CG 4.35Å; V92-L96 WeakPolarHBondContact O-CB 3.43Å; V92-L96 WeakPolarHBondContact O-CG 3.22Å; V92-L96 PolarHBondContact O-N 3.04Å |
| 93 | C | 93.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 179.8 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | L59 C89 A90 T95 L96 L97 | L59-C93 HydrophobicContact CD1-CB 4.45Å; L59-C93 HydrophobicContact CD2-CB 4.27Å; C89-C93 WeakPolarHBondContact O-CB 3.28Å; C89-C93 PolarHBondContact O-N 3.31Å; A90-C93 WeakPolarHBondContact O-CB 3.14Å; A90-C93 PolarHBondContact O-N 3.47Å; C93-T95 VanDerWaalsContact C-N 3.34Å; C93-T95 PolarHBondContact O-N 2.92Å; C93-L96 PolarHBondContact O-N 3.35Å; C93-L97 WeakPolarHBondContact O-CB 3.45Å; C93-L97 VanDerWaalsContact O-CG 3.31Å; C93-L97 WeakPolarHBondContact O-CG 3.41Å; C93-L97 PolarHBondContact O-N 3.18Å |
| 94 | D | 92.1 | Very high | 91.9 | Very high | 108 Ų | 108 | 56 Ų | 56 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | -179.4 | -70.7 | -19.9 | 0 | 0 | 0 | 111.4 | A90 L97 A98 | A90-D94 PolarHBondContact O-N 2.9Å; D94-L97 PolarHBondContact O-N 3.12Å; D94-A98 WeakPolarHBondContact O-CB 3.49Å; D94-A98 PolarHBondContact O-N 3.31Å |
| 95 | T | 93 | Very high | 91.7 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L32 N91 C93 A98 L99 | L32-T95 HydrophobicContact CB-CG2 4.17Å; L32-T95 HydrophobicContact CD1-CG2 3.54Å; N91-T95 VanDerWaalsContact O-CB 3.23Å; N91-T95 WeakPolarHBondContact O-CB 3.5Å; N91-T95 PolarHBondContact O-N 3.24Å; N91-T95 PolarHBondContact O-OG1 2.92Å; N91-T95 PolarHBondContact OD1-OG1 3.06Å; C93-T95 VanDerWaalsContact C-N 3.34Å; C93-T95 PolarHBondContact O-N 2.92Å; T95-A98 PolarHBondContact O-N 3.44Å; T95-L99 HydrophobicContact CG2-CD1 3.6Å; T95-L99 HydrophobicContact CG2-CG 4.33Å; T95-L99 WeakPolarHBondContact O-CB 3.48Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.38Å; T95-L99 PolarHBondContact O-N 2.81Å |
| 96 | L | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.7 | -73.7 | 173.7 | 0 | 0 | 0 | 112.2 | L32 L37 Y51 I54 V57 I71 V92 C93 A98 L99 S100 | L32-L96 HydrophobicContact CD1-CD2 4.46Å; L32-L96 HydrophobicContact CD1-CG 4.22Å; L32-L96 HydrophobicContact CD2-CD2 3.77Å; L32-L96 HydrophobicContact CD2-CG 4.25Å; L37-L96 HydrophobicContact CB-CD2 4.31Å; L37-L96 HydrophobicContact CD1-CD1 4.1Å; L37-L96 HydrophobicContact CD1-CD2 3.83Å; Y51-L96 HydrophobicContact CD1-CD2 4.05Å; Y51-L96 HydrophobicContact CE1-CD2 3.68Å; I54-L96 HydrophobicContact CD1-CD2 3.99Å; V57-L96 HydrophobicContact CG1-CD1 4.37Å; V57-L96 HydrophobicContact CG2-CB 3.99Å; V57-L96 HydrophobicContact CG2-CD1 4.4Å; I71-L96 HydrophobicContact CD1-CD1 3.69Å; I71-L96 HydrophobicContact CG1-CD1 4.26Å; V92-L96 HydrophobicContact CG1-CD1 3.8Å; V92-L96 HydrophobicContact CG1-CG 4.35Å; V92-L96 WeakPolarHBondContact O-CB 3.43Å; V92-L96 WeakPolarHBondContact O-CG 3.22Å; V92-L96 PolarHBondContact O-N 3.04Å; C93-L96 PolarHBondContact O-N 3.35Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-L99 PolarHBondContact O-N 2.97Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 2.77Å |
| 97 | L | 90.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 176.5 | -72.3 | 173.8 | 0 | 0 | 0 | 111.8 | V57 C93 D94 R101 | V57-L97 HydrophobicContact CB-CD2 4.12Å; V57-L97 HydrophobicContact CB-CG 4.49Å; V57-L97 HydrophobicContact CG2-CD2 4.48Å; C93-L97 WeakPolarHBondContact O-CB 3.45Å; C93-L97 VanDerWaalsContact O-CG 3.31Å; C93-L97 WeakPolarHBondContact O-CG 3.41Å; C93-L97 PolarHBondContact O-N 3.18Å; D94-L97 PolarHBondContact O-N 3.12Å; L97-R101 WeakPolarHBondContact O-CB 3.48Å; L97-R101 VanDerWaalsContact O-CD 3.24Å; L97-R101 WeakPolarHBondContact O-CD 3.5Å; L97-R101 WeakPolarHBondContact O-CG 3.32Å |
| 98 | A | 88.7 | Confident | 91.4 | Very high | 72 Ų | 72 | 45.1 Ų | 45.1 | 60% | 0.595 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.4 | -47.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D94 T95 L96 | D94-A98 WeakPolarHBondContact O-CB 3.49Å; D94-A98 PolarHBondContact O-N 3.31Å; T95-A98 PolarHBondContact O-N 3.44Å; L96-A98 VanDerWaalsContact C-N 3.33Å |
| 99 | L | 89.8 | Confident | 91.2 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.8 | -23.4 | -173.4 | -64.3 | 172.8 | 0 | 0 | 0 | 114.1 | Y8 Y51 T95 L96 R101 | Y8-L99 HydrophobicContact CD2-CD1 4.3Å; Y51-L99 VanDerWaalsContact CB-O 3.31Å; Y51-L99 WeakPolarHBondContact CB-O 3.4Å; Y51-L99 HydrophobicContact CD1-CB 4.12Å; Y51-L99 HydrophobicContact CD2-CB 3.59Å; Y51-L99 HydrophobicContact CD2-CD1 4.22Å; Y51-L99 HydrophobicContact CD2-CG 4.4Å; Y51-L99 HydrophobicContact CE1-CB 4.28Å; Y51-L99 HydrophobicContact CE1-CD1 4.2Å; Y51-L99 HydrophobicContact CE2-CB 3.74Å; Y51-L99 HydrophobicContact CE2-CD1 3.46Å; Y51-L99 VanDerWaalsContact CE2-CD1 3.46Å; Y51-L99 HydrophobicContact CE2-CG 4.1Å; Y51-L99 HydrophobicContact CG-CB 3.78Å; Y51-L99 VanDerWaalsContact CZ-CD1 3.43Å; Y51-L99 WeakPolarHBondContact OH-CD1 3.43Å; T95-L99 HydrophobicContact CG2-CD1 3.6Å; T95-L99 HydrophobicContact CG2-CG 4.33Å; T95-L99 WeakPolarHBondContact O-CB 3.48Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.38Å; T95-L99 PolarHBondContact O-N 2.81Å; L96-L99 PolarHBondContact O-N 2.97Å; L99-R101 VanDerWaalsContact C-N 3.31Å |
| 100 | S | 91.2 | Very high | 91.2 | Very high | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.2 | 177 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | Y51 L96 P102 | Y51-S100 WeakPolarHBondContact O-CB 3.4Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 2.77Å; S100-P102 VanDerWaalsContact C-CD 3.47Å; S100-P102 WeakPolarHBondContact O-CD 3.3Å |
| 101 | R | 89.6 | Confident | 91.2 | Very high | 104 Ų | 104 | 44 Ų | 44 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | trans | -122.5 | 68.4 | -174.5 | -67 | -178.1 | 178.4 | -179.3 | -1 | 111.9 | L97 L99 Y388 | L97-R101 WeakPolarHBondContact O-CB 3.48Å; L97-R101 VanDerWaalsContact O-CD 3.24Å; L97-R101 WeakPolarHBondContact O-CD 3.5Å; L97-R101 WeakPolarHBondContact O-CG 3.32Å; L99-R101 VanDerWaalsContact C-N 3.31Å; R101-Y388 HydrophobicContact CB-CD1 4.38Å; R101-Y388 HydrophobicContact CB-CD2 3.94Å; R101-Y388 HydrophobicContact CB-CG 3.75Å; R101-Y388 VanDerWaalsContact CD-CE2 3.48Å; R101-Y388 HydrophobicContact CG-CD2 3.52Å; R101-Y388 HydrophobicContact CG-CE2 4Å; R101-Y388 HydrophobicContact CG-CG 3.9Å; R101-Y388 PolarHBondContact NH1-OH 2.92Å | ||
| 102 | P | 89.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | trans | -60 | 140.4 | 177.7 | 28.4 | -36.4 | 0 | 0 | 0 | 110.7 | S100 E107 L108 H386 Y388 | S100-P102 VanDerWaalsContact C-CD 3.47Å; S100-P102 WeakPolarHBondContact O-CD 3.3Å; P102-E107 WeakPolarHBondContact CA-OE2 3.34Å; P102-E107 HydrophobicContact CB-CB 4.08Å; P102-L108 HydrophobicContact CB-CD2 4.13Å; P102-L108 HydrophobicContact CG-CD2 3.71Å; P102-H386 WeakPolarHBondContact CG-O 3.42Å; P102-Y388 WeakPolarHBondContact O-CB 3.45Å; P102-Y388 PolarHBondContact O-N 3.26Å | ||
| 103 | S | 89.4 | Confident | 90.9 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -88 | -21.1 | -176.1 | 79.1 | 0 | 0 | 0 | 0 | 113.1 | E107 V387 | S103-E107 PolarHBondContact N-OE2 2.9Å; S103-E107 VanDerWaalsContact OG-CD 3.31Å; S103-E107 PolarHBondContact OG-OE1 2.93Å; S103-E107 PolarHBondContact OG-OE2 3.17Å; S103-V387 VanDerWaalsContact O-CG1 3.3Å; S103-V387 WeakPolarHBondContact O-CG1 3.41Å |
| 104 | S | 89.9 | Confident | 90.5 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -143.7 | 168.6 | -178.8 | 72.2 | 0 | 0 | 0 | 0 | 111.9 | E106 | S104-E106 VanDerWaalsContact C-N 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact OG-OE2 3.36Å |
| 105 | I | 90.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -69.5 | -32.4 | 178.5 | -73.8 | 179.2 | 0 | 0 | 0 | 110.7 | E107 L108 F111 V387 L440 | I105-E107 VanDerWaalsContact C-N 3.27Å; I105-E107 PolarHBondContact O-N 3.47Å; I105-L108 HydrophobicContact CB-CD1 4.46Å; I105-L108 HydrophobicContact CG2-CD1 4.31Å; I105-L108 WeakPolarHBondContact O-CB 3.39Å; I105-L108 WeakPolarHBondContact O-CG 3.24Å; I105-L108 PolarHBondContact O-N 3.06Å; I105-F111 HydrophobicContact CG2-CE2 3.57Å; I105-F111 HydrophobicContact CG2-CZ 3.89Å; I105-F111 VanDerWaalsContact O-CD2 3.23Å; I105-F111 WeakPolarHBondContact O-CD2 3.43Å; I105-F111 WeakPolarHBondContact O-CE2 3.43Å; I105-V387 HydrophobicContact CG1-CG2 3.64Å; I105-L440 HydrophobicContact CG2-CB 4.5Å |
| 106 | E | 88.1 | Confident | 89.3 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.7 | -177.2 | -62 | 93.4 | 148.6 | 0 | 0 | 113.6 | S104 L108 P453 Y454 | S104-E106 VanDerWaalsContact C-N 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact OG-OE2 3.36Å; E106-L108 PolarHBondContact O-N 3.35Å; E106-P453 WeakPolarHBondContact OE1-CG 3.3Å; E106-Y454 HydrophobicContact CG-CD1 4.23Å; E106-Y454 HydrophobicContact CG-CG 4.42Å; E106-Y454 WeakPolarHBondContact OE1-CD1 3.45Å |
| 107 | E | 89.1 | Confident | 88.4 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.1 | 172.7 | -71 | 174.3 | -171.7 | 0 | 0 | 112.3 | P102 S103 I105 | P102-E107 WeakPolarHBondContact CA-OE2 3.34Å; P102-E107 HydrophobicContact CB-CB 4.08Å; S103-E107 PolarHBondContact N-OE2 2.9Å; S103-E107 VanDerWaalsContact OG-CD 3.31Å; S103-E107 PolarHBondContact OG-OE1 2.93Å; S103-E107 PolarHBondContact OG-OE2 3.17Å; I105-E107 VanDerWaalsContact C-N 3.27Å; I105-E107 PolarHBondContact O-N 3.47Å |
| 108 | L | 91.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -71 | 148.1 | -179.4 | -62.9 | 176.3 | 0 | 0 | 0 | 112 | P102 I105 E106 A110 F111 H386 C434 L440 | P102-L108 HydrophobicContact CB-CD2 4.13Å; P102-L108 HydrophobicContact CG-CD2 3.71Å; I105-L108 HydrophobicContact CB-CD1 4.46Å; I105-L108 HydrophobicContact CG2-CD1 4.31Å; I105-L108 WeakPolarHBondContact O-CB 3.39Å; I105-L108 WeakPolarHBondContact O-CG 3.24Å; I105-L108 PolarHBondContact O-N 3.06Å; E106-L108 PolarHBondContact O-N 3.35Å; L108-A110 PolarHBondContact O-N 3.32Å; L108-F111 HydrophobicContact CB-CD2 4.48Å; L108-F111 PolarHBondContact O-N 2.9Å; L108-F111 VanDerWaalsContact O-N 3.11Å; L108-H386 HydrophobicContact CD1-CB 4.07Å; L108-H386 WeakPolarHBondContact CD2-O 3.43Å; L108-C434 HydrophobicContact CB-CB 4.11Å; L108-C434 HydrophobicContact CD1-CB 4.29Å; L108-C434 HydrophobicContact CD2-CB 4.01Å; L108-C434 HydrophobicContact CG-CB 4.37Å; L108-L440 HydrophobicContact CD1-CD1 4.29Å; L108-L440 HydrophobicContact CD1-CD2 3.94Å |
| 109 | P | 91.9 | Very high | 87.2 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -51.6 | -30.7 | -178.5 | -30.1 | 35.7 | 0 | 0 | 0 | 115.2 | C52 F111 S112 Y113 | C52-P109 HydrophobicContact CB-CG 4.33Å; P109-F111 PolarHBondContact O-N 3.47Å; P109-F111 VanDerWaalsContact O-N 3.12Å; P109-S112 CarbonylContact O-C 3.58Å; P109-S112 PolarHBondContact O-N 2.95Å; P109-S112 PolarHBondContact O-OG 3.24Å; P109-Y113 WeakPolarHBondContact O-CB 3.39Å; P109-Y113 PolarHBondContact O-N 2.96Å |
| 110 | A | 93.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -54.5 | -31.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L108 S112 C434 Q435 L440 T460 | L108-A110 PolarHBondContact O-N 3.32Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-C434 WeakPolarHBondContact CA-O 3.48Å; A110-C434 VanDerWaalsContact CB-O 3.23Å; A110-C434 WeakPolarHBondContact CB-O 3.44Å; A110-C434 PolarHBondContact N-O 2.85Å; A110-Q435 WeakPolarHBondContact CA-O 3.46Å; A110-L440 HydrophobicContact CB-CD1 3.62Å; A110-T460 HydrophobicContact CB-CG2 3.88Å |
| 111 | F | 92.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 69.7 Ų | 69.7 | 20% | 0.197 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -84.2 | -9.5 | -178.7 | -67.1 | -83.6 | 0 | 0 | 0 | 113.8 | I105 L108 P109 L440 Y454 L456 K459 T460 | I105-F111 HydrophobicContact CG2-CE2 3.57Å; I105-F111 HydrophobicContact CG2-CZ 3.89Å; I105-F111 VanDerWaalsContact O-CD2 3.23Å; I105-F111 WeakPolarHBondContact O-CD2 3.43Å; I105-F111 WeakPolarHBondContact O-CE2 3.43Å; L108-F111 HydrophobicContact CB-CD2 4.48Å; L108-F111 PolarHBondContact O-N 2.9Å; L108-F111 VanDerWaalsContact O-N 3.11Å; P109-F111 PolarHBondContact O-N 3.47Å; P109-F111 VanDerWaalsContact O-N 3.12Å; F111-L440 HydrophobicContact CE2-CD1 3.99Å; F111-Y454 HydrophobicContact CE1-CD2 4.49Å; F111-Y454 HydrophobicContact CE1-CG 4.41Å; F111-Y454 HydrophobicContact CZ-CD2 4.23Å; F111-Y454 HydrophobicContact CZ-CG 4.26Å; F111-L456 HydrophobicContact CZ-CD1 3.91Å; F111-K459 HydrophobicContact CD1-CB 3.95Å; F111-K459 HydrophobicContact CE1-CB 4.15Å; F111-T460 HydrophobicContact CD1-CG2 3.65Å; F111-T460 HydrophobicContact CD2-CG2 4.24Å; F111-T460 HydrophobicContact CE1-CG2 3.51Å; F111-T460 HydrophobicContact CE2-CG2 4.11Å; F111-T460 HydrophobicContact CG-CG2 4.02Å; F111-T460 HydrophobicContact CZ-CG2 3.78Å |
| 112 | S | 90.9 | Very high | 87.2 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 6.6 | 175.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | P109 A110 V114 | P109-S112 CarbonylContact O-C 3.58Å; P109-S112 PolarHBondContact O-N 2.95Å; P109-S112 PolarHBondContact O-OG 3.24Å; A110-S112 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 3.31Å |
| 113 | Y | 89.8 | Confident | 87.3 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 18% | 0.18 | 37% | 0.37 | C | S | . | . | trans | -71.3 | 125.5 | -174.5 | 177.2 | -125.3 | 0 | 0 | 0 | 111.3 | P109 P115 Q435 F436 Y461 | P109-Y113 WeakPolarHBondContact O-CB 3.39Å; P109-Y113 PolarHBondContact O-N 2.96Å; Y113-P115 HydrophobicContact CD1-CG 4.26Å; Y113-P115 HydrophobicContact CE1-CB 4.21Å; Y113-P115 HydrophobicContact CE1-CG 3.7Å; Y113-Q435 HydrophobicContact CD1-CG 3.99Å; Y113-Q435 HydrophobicContact CD2-CG 3.76Å; Y113-Q435 HydrophobicContact CE1-CG 4.12Å; Y113-Q435 HydrophobicContact CE2-CG 3.93Å; Y113-Q435 HydrophobicContact CG-CG 3.83Å; Y113-Q435 PolarHBondContact OH-NE2 3.33Å; Y113-F436 HydrophobicContact CD1-CE1 4.49Å; Y113-F436 AromaticContact CE1-CE1 3.95Å; Y113-F436 HydrophobicContact CE1-CE1 3.95Å; Y113-F436 HydrophobicContact CE1-CZ 4.44Å; Y113-Y461 AromaticContact CD1-CD2 3.74Å; Y113-Y461 HydrophobicContact CD1-CD2 3.74Å; Y113-Y461 HydrophobicContact CD1-CE2 4.31Å; Y113-Y461 HydrophobicContact CD1-CG 4.24Å; Y113-Y461 HydrophobicContact CE1-CD2 4.37Å; Y113-Y461 WeakPolarHBondContact O-CE2 3.45Å | ||
| 114 | V | 86.8 | Confident | 87.4 | Confident | 114 Ų | 114 | 68.2 Ų | 68.2 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | trans | -115.6 | 111.4 | 172.4 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | S112 | S112-V114 PolarHBondContact O-N 3.31Š| ||
| 115 | P | 84.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 13% | 0.13 | 33% | 0.334 | C | S | . | . | trans | -60.9 | 141.7 | 177.9 | -21.3 | 30.3 | 0 | 0 | 0 | 112.7 | Y113 L120 Y461 | Y113-P115 HydrophobicContact CD1-CG 4.26Å; Y113-P115 HydrophobicContact CE1-CB 4.21Å; Y113-P115 HydrophobicContact CE1-CG 3.7Å; P115-L120 HydrophobicContact CB-CB 4.34Å; P115-L120 HydrophobicContact CB-CD2 4.17Å; P115-L120 HydrophobicContact CG-CB 4.5Å; P115-L120 HydrophobicContact CG-CD2 3.96Å; P115-L120 HydrophobicContact CG-CG 4.41Å; P115-Y461 VanDerWaalsContact CD-CZ 3.45Å; P115-Y461 WeakPolarHBondContact CD-OH 3.18Å; P115-Y461 HydrophobicContact CG-CD1 3.99Å; P115-Y461 HydrophobicContact CG-CD2 4.3Å; P115-Y461 HydrophobicContact CG-CE1 3.48Å; P115-Y461 VanDerWaalsContact CG-CE1 3.48Å; P115-Y461 HydrophobicContact CG-CE2 3.87Å; P115-Y461 HydrophobicContact CG-CG 4.37Å; P115-Y461 VanDerWaalsContact CG-CZ 3.43Å | ||
| 116 | H | 75.1 | Confident | 87.6 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 67% | 0.671 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -70.6 | -35 | 171.5 | -68.7 | -53.9 | 0 | 0 | 0 | 112.6 | M1 | M1-H116 WeakPolarHBondContact CE-CE1 3.5Š|
| 117 | S | 73.2 | Confident | 87.5 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -83.7 | 127.7 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 110 | D119 | S117-D119 PolarHBondContact O-N 2.9Å; S117-D119 PolarHBondContact OG-N 3.09Å |
| 118 | K | 73 | Confident | 87 | Confident | 204 Ų | 204 | 69.2 Ų | 69.2 | 89% | 0.887 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.5 | 173.4 | -64.1 | -173.5 | 178.2 | -175.9 | 0 | 113.1 | ||
| 119 | D | 81.2 | Confident | 86.6 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.9 | -177.4 | -59.5 | -21.3 | 0 | 0 | 0 | 113.3 | S117 R469 | S117-D119 PolarHBondContact O-N 2.9Å; S117-D119 PolarHBondContact OG-N 3.09Å; D119-R469 PolarHBondContact O-NE 3.09Å; D119-R469 PolarHBondContact O-NH2 3.2Å; D119-R469 VanDerWaalsContact O-NH2 3.13Å |
| 120 | L | 89 | Confident | 86.2 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | trans | -92.3 | 111 | 175.7 | -179.5 | 63.4 | 0 | 0 | 0 | 109.1 | P115 D124 Y461 Y466 | P115-L120 HydrophobicContact CB-CB 4.34Å; P115-L120 HydrophobicContact CB-CD2 4.17Å; P115-L120 HydrophobicContact CG-CB 4.5Å; P115-L120 HydrophobicContact CG-CD2 3.96Å; P115-L120 HydrophobicContact CG-CG 4.41Å; L120-D124 HydrophobicContact CD1-CB 4.08Å; L120-Y461 HydrophobicContact CD2-CD1 3.9Å; L120-Y461 HydrophobicContact CD2-CE1 4.47Å; L120-Y461 HydrophobicContact CG-CD1 3.8Å; L120-Y461 HydrophobicContact CG-CE1 4.16Å; L120-Y466 HydrophobicContact CD2-CD2 4.4Å | ||
| 121 | R | 91.3 | Very high | 85.7 | Confident | 135 Ų | 135 | 69.5 Ų | 69.5 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | trans | -92 | 157.1 | 174.2 | -52.1 | 176 | -61.7 | 154.3 | -1.1 | 110 | E123 D124 | R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 VanDerWaalsContact CB-CD 3.47Å; R121-E123 HydrophobicContact CB-CG 4.25Å; R121-E123 WeakPolarHBondContact CB-OE2 3.37Å; R121-E123 VanDerWaalsContact CD-OE1 3.31Å; R121-E123 WeakPolarHBondContact CD-OE1 3.46Å; R121-E123 IonicContact CZ-OE1 2.83Å; R121-E123 VanDerWaalsContact CZ-OE1 3.24Å; R121-E123 IonicContact NE-OE1 3.29Å; R121-E123 PolarHBondContact NE-OE1 2.79Å; R121-E123 IonicContact NH1-OE1 2.96Å; R121-E123 PolarHBondContact NH1-OE1 2.92Å; R121-E123 PolarHBondContact O-N 3.34Å; R121-D124 IonicContact CZ-OD1 3.05Å; R121-D124 VanDerWaalsContact CZ-OD1 3.26Å; R121-D124 PolarHBondContact N-OD2 3.19Å; R121-D124 IonicContact NE-OD1 3.87Å; R121-D124 PolarHBondContact NE-OD1 2.86Å; R121-D124 IonicContact NE-OD2 3.75Å; R121-D124 IonicContact NH2-OD1 2.83Å; R121-D124 PolarHBondContact NH2-OD1 3.22Å; R121-D124 WeakPolarHBondContact O-CB 3.37Å; R121-D124 PolarHBondContact O-N 2.69Å | ||
| 122 | Q | 91.2 | Very high | 85.6 | Confident | 61 Ų | 61 | 69 Ų | 69 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -31.5 | -174.7 | -156.9 | -172.1 | -77 | 0 | 0 | 112.3 | D124 W126 E458 Y461 | Q122-D124 VanDerWaalsContact C-N 3.33Å; Q122-W126 PolarHBondContact O-NE1 2.85Å; Q122-E458 PolarHBondContact NE2-O 2.78Å; Q122-Y461 VanDerWaalsContact CA-CE1 3.49Å; Q122-Y461 HydrophobicContact CB-CD1 4.28Å; Q122-Y461 HydrophobicContact CB-CE1 3.93Å; Q122-Y461 HydrophobicContact CG-CD1 4.24Å; Q122-Y461 HydrophobicContact CG-CD2 4.23Å; Q122-Y461 HydrophobicContact CG-CE1 4.17Å; Q122-Y461 HydrophobicContact CG-CE2 4.14Å; Q122-Y461 HydrophobicContact CG-CG 4.27Å |
| 123 | E | 90.8 | Very high | 85.7 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.8 | 175.5 | 64.2 | -89.9 | -157 | 0 | 0 | 114.2 | R121 G125 W126 | R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 VanDerWaalsContact CB-CD 3.47Å; R121-E123 HydrophobicContact CB-CG 4.25Å; R121-E123 WeakPolarHBondContact CB-OE2 3.37Å; R121-E123 VanDerWaalsContact CD-OE1 3.31Å; R121-E123 WeakPolarHBondContact CD-OE1 3.46Å; R121-E123 IonicContact CZ-OE1 2.83Å; R121-E123 VanDerWaalsContact CZ-OE1 3.24Å; R121-E123 IonicContact NE-OE1 3.29Å; R121-E123 PolarHBondContact NE-OE1 2.79Å; R121-E123 IonicContact NH1-OE1 2.96Å; R121-E123 PolarHBondContact NH1-OE1 2.92Å; R121-E123 PolarHBondContact O-N 3.34Å; E123-G125 PolarHBondContact O-N 2.74Å; E123-W126 PolarHBondContact O-N 3.4Å |
| 124 | D | 92.3 | Very high | 86 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.08 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 125.4 | -174 | -72.7 | -15.8 | 0 | 0 | 0 | 110.7 | L120 R121 Q122 W126 S462 G465 R469 | L120-D124 HydrophobicContact CD1-CB 4.08Å; R121-D124 IonicContact CZ-OD1 3.05Å; R121-D124 VanDerWaalsContact CZ-OD1 3.26Å; R121-D124 PolarHBondContact N-OD2 3.19Å; R121-D124 IonicContact NE-OD1 3.87Å; R121-D124 PolarHBondContact NE-OD1 2.86Å; R121-D124 IonicContact NE-OD2 3.75Å; R121-D124 IonicContact NH2-OD1 2.83Å; R121-D124 PolarHBondContact NH2-OD1 3.22Å; R121-D124 WeakPolarHBondContact O-CB 3.37Å; R121-D124 PolarHBondContact O-N 2.69Å; Q122-D124 VanDerWaalsContact C-N 3.33Å; D124-W126 PolarHBondContact O-N 2.71Å; D124-S462 WeakPolarHBondContact O-CB 3.45Å; D124-G465 WeakPolarHBondContact O-CA 2.97Å; D124-R469 IonicContact OD1-NH2 3.09Å; D124-R469 IonicContact OD2-CZ 2.79Å; D124-R469 IonicContact OD2-NE 2.83Å; D124-R469 IonicContact OD2-NH2 2.61Å; D124-R469 PolarHBondContact OD2-NH2 3.23Å |
| 125 | G | 92.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E123 D128 S462 | E123-G125 PolarHBondContact O-N 2.74Å; G125-D128 WeakPolarHBondContact CA-OD2 3.27Å; G125-S462 PolarHBondContact O-OG 2.93Å; G125-S462 VanDerWaalsContact O-OG 3.06Å |
| 126 | W | 91.3 | Very high | 87 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -42.2 | 173.9 | -81.1 | 121.5 | 0 | 0 | 0 | 112.5 | Q122 E123 D124 L456 C457 T460 | Q122-W126 PolarHBondContact O-NE1 2.85Å; E123-W126 PolarHBondContact O-N 3.4Å; D124-W126 PolarHBondContact O-N 2.71Å; W126-L456 HydrophobicContact CH2-CD2 4.28Å; W126-L456 HydrophobicContact CH2-CG 4.28Å; W126-C457 HydrophobicContact CD2-CB 3.98Å; W126-C457 HydrophobicContact CE3-CB 4.37Å; W126-C457 HydrophobicContact CG-CB 4.19Å; W126-T460 WeakPolarHBondContact CZ2-OG1 3.27Å; W126-T460 PolarHBondContact NE1-O 2.88Å |
| 127 | D | 85.8 | Confident | 88 | Confident | 140 Ų | 140 | 61.2 Ų | 61.2 | 75% | 0.749 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -91.5 | -11.9 | -178.6 | -64.5 | -37.1 | 0 | 0 | 0 | 113.4 | N129 | D127-N129 PolarHBondContact O-N 2.89Š|
| 128 | D | 79.3 | Confident | 89.2 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -40.2 | -171.6 | -70.8 | -20.9 | 0 | 0 | 0 | 111.6 | G125 K363 | G125-D128 WeakPolarHBondContact CA-OD2 3.27Å; D128-K363 VanDerWaalsContact C-NZ 3.32Å; D128-K363 PolarHBondContact O-NZ 3.46Å |
| 129 | N | 83.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 43.6 | -162.1 | -61.9 | -42.8 | 0 | 0 | 0 | 113.8 | D127 G131 K363 Q366 V367 E370 W464 | D127-N129 PolarHBondContact O-N 2.89Å; N129-G131 PolarHBondContact O-N 2.93Å; N129-K363 WeakPolarHBondContact OD1-CD 2.99Å; N129-K363 WeakPolarHBondContact OD1-CE 3.43Å; N129-K363 PolarHBondContact OD1-NZ 3.35Å; N129-Q366 HydrophobicContact CB-CB 4.36Å; N129-Q366 PolarHBondContact ND2-OE1 2.77Å; N129-V367 HydrophobicContact CB-CG2 4.1Å; N129-E370 HydrophobicContact CB-CG 3.98Å; N129-E370 VanDerWaalsContact O-CB 3.26Å; N129-E370 WeakPolarHBondContact O-CB 3.31Å; N129-E370 WeakPolarHBondContact O-CG 3.2Å; N129-W464 VanDerWaalsContact ND2-CD1 3.33Å; N129-W464 VanDerWaalsContact ND2-CG 3.33Å |
| 130 | C | 82.6 | Confident | 91.1 | Very high | 46 Ų | 46 | 47 Ų | 47 | 31% | 0.311 | 25% | 0.248 | S | C | . | . | trans | -58.8 | 121.5 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | Y132 D133 | C130-Y132 PolarHBondContact O-N 2.88Å; C130-Y132 VanDerWaalsContact O-N 3.11Å; C130-D133 WeakPolarHBondContact CB-OD2 3.37Å; C130-D133 VanDerWaalsContact O-CB 3.32Å; C130-D133 WeakPolarHBondContact O-CB 3.47Å; C130-D133 PolarHBondContact O-N 2.97Å | ||
| 131 | G | 82.8 | Confident | 91.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -15.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N129 M375 | N129-G131 PolarHBondContact O-N 2.93Å; G131-M375 WeakPolarHBondContact CA-SD 3.44Å |
| 132 | Y | 92 | Very high | 91.8 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.9 | -28 | 170.2 | -63.5 | -70.4 | 0 | 0 | 0 | 113.2 | C130 D134 Y135 A136 R163 F165 M375 | C130-Y132 PolarHBondContact O-N 2.88Å; C130-Y132 VanDerWaalsContact O-N 3.11Å; Y132-D134 PolarHBondContact O-N 3.44Å; Y132-Y135 HydrophobicContact CD1-CD2 4.32Å; Y132-Y135 PolarHBondContact O-N 3.23Å; Y132-Y135 VanDerWaalsContact O-N 3.1Å; Y132-A136 PolarHBondContact O-N 3.22Å; Y132-R163 HydrophobicContact CE1-CB 3.68Å; Y132-R163 VanDerWaalsContact CE2-NH2 3.3Å; Y132-R163 PolarHBondContact OH-N 3.19Å; Y132-F165 HydrophobicContact CD1-CE2 4.45Å; Y132-M375 HydrophobicContact CD1-CE 3.93Å; Y132-M375 HydrophobicContact CD2-CE 3.96Å; Y132-M375 HydrophobicContact CE1-CE 3.58Å; Y132-M375 HydrophobicContact CE2-CE 3.64Å; Y132-M375 HydrophobicContact CG-CE 4.11Å; Y132-M375 VanDerWaalsContact CZ-CE 3.44Å |
| 133 | D | 91.4 | Very high | 92.1 | Very high | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -28.1 | 176.8 | -61.9 | -14.4 | 0 | 0 | 0 | 111 | C130 A136 R137 | C130-D133 WeakPolarHBondContact CB-OD2 3.37Å; C130-D133 VanDerWaalsContact O-CB 3.32Å; C130-D133 WeakPolarHBondContact O-CB 3.47Å; C130-D133 PolarHBondContact O-N 2.97Å; D133-A136 PolarHBondContact O-N 2.88Å; D133-R137 WeakPolarHBondContact O-CB 3.5Å; D133-R137 PolarHBondContact O-N 3.49Å |
| 134 | D | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 174.4 | -160 | 36.2 | 0 | 0 | 0 | 112 | Y132 A136 R137 L138 Y359 V367 K371 | Y132-D134 PolarHBondContact O-N 3.44Å; D134-A136 VanDerWaalsContact C-N 3.34Å; D134-R137 WeakPolarHBondContact O-CB 3.24Å; D134-R137 PolarHBondContact O-N 3.02Å; D134-R137 IonicContact OD1-CZ 2.68Å; D134-R137 VanDerWaalsContact OD1-CZ 3.31Å; D134-R137 IonicContact OD1-NE 3.75Å; D134-R137 PolarHBondContact OD1-NE 3.26Å; D134-R137 IonicContact OD1-NH2 2.93Å; D134-R137 PolarHBondContact OD1-NH2 3.37Å; D134-L138 WeakPolarHBondContact O-CB 3.36Å; D134-L138 WeakPolarHBondContact O-CG 3.18Å; D134-L138 PolarHBondContact O-N 2.91Å; D134-Y359 VanDerWaalsContact CG-OH 3.31Å; D134-Y359 PolarHBondContact OD1-OH 3.37Å; D134-Y359 WeakPolarHBondContact OD2-CE1 3.48Å; D134-Y359 PolarHBondContact OD2-OH 3.44Å; D134-V367 HydrophobicContact CB-CG1 3.51Å; D134-K371 HydrophobicContact CB-CD 4.27Å; D134-K371 WeakPolarHBondContact OD2-CE 3.48Å; D134-K371 IonicContact OD2-NZ 3.61Å; D134-K371 PolarHBondContact OD2-NZ 2.72Å |
| 135 | Y | 97.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.2 | -69.7 | -62.4 | 0 | 0 | 0 | 111.1 | Y132 R137 L138 G139 L140 F165 L190 K371 Y376 | Y132-Y135 HydrophobicContact CD1-CD2 4.32Å; Y132-Y135 PolarHBondContact O-N 3.23Å; Y132-Y135 VanDerWaalsContact O-N 3.1Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; Y135-R137 PolarHBondContact O-N 2.82Å; Y135-L138 CarbonylContact O-C 3.53Å; Y135-L138 PolarHBondContact O-N 3.44Å; Y135-G139 PolarHBondContact O-N 3.31Å; Y135-L140 HydrophobicContact CD1-CD1 3.7Å; Y135-L140 VanDerWaalsContact O-CB 3.28Å; Y135-L140 WeakPolarHBondContact O-CB 3.49Å; Y135-L140 PolarHBondContact O-N 2.95Å; Y135-F165 VanDerWaalsContact CB-CZ 3.47Å; Y135-F165 HydrophobicContact CD1-CD1 4.43Å; Y135-F165 AromaticContact CD1-CD2 3.89Å; Y135-F165 HydrophobicContact CD1-CD2 3.89Å; Y135-F165 HydrophobicContact CD1-CE2 4.02Å; Y135-F165 HydrophobicContact CD1-CG 4.1Å; Y135-F165 HydrophobicContact CD1-CZ 4.32Å; Y135-F165 AromaticContact CD2-CD2 3.6Å; Y135-F165 HydrophobicContact CD2-CD2 3.6Å; Y135-F165 AromaticContact CD2-CE2 3.22Å; Y135-F165 HydrophobicContact CD2-CE2 3.22Å; Y135-F165 AromaticContact CD2-CZ 3.94Å; Y135-F165 HydrophobicContact CD2-CZ 3.94Å; Y135-F165 HydrophobicContact CE1-CB 4.41Å; Y135-F165 AromaticContact CE1-CD2 3.96Å; Y135-F165 HydrophobicContact CE1-CD2 3.96Å; Y135-F165 HydrophobicContact CE1-CE2 4.46Å; Y135-F165 HydrophobicContact CE1-CG 4.2Å; Y135-F165 AromaticContact CE2-CD2 3.66Å; Y135-F165 HydrophobicContact CE2-CD2 3.66Å; Y135-F165 AromaticContact CE2-CE2 3.75Å; Y135-F165 HydrophobicContact CE2-CE2 3.75Å; Y135-F165 AromaticContact CG-CD2 3.72Å; Y135-F165 HydrophobicContact CG-CD2 3.72Å; Y135-F165 HydrophobicContact CG-CE1 4.27Å; Y135-F165 AromaticContact CG-CE2 3.38Å; Y135-F165 HydrophobicContact CG-CE2 3.38Å; Y135-F165 HydrophobicContact CG-CG 4.3Å; Y135-F165 AromaticContact CG-CZ 3.67Å; Y135-F165 HydrophobicContact CG-CZ 3.67Å; Y135-F165 AromaticContact CZ-CD2 3.84Å; Y135-L190 PolarHBondContact OH-O 2.83Å; Y135-K371 HydrophobicContact CE1-CD 4.39Å; Y135-K371 HydrophobicContact CE2-CD 3.98Å; Y135-K371 HydrophobicContact CE2-CG 4.43Å; Y135-Y376 WeakPolarHBondContact OH-CE2 3.38Å; Y135-Y376 PolarHBondContact OH-OH 3.06Å |
| 136 | A | 95.1 | Very high | 93 | Very high | 66 Ų | 66 | 48 Ų | 48 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y132 D133 D134 L138 G139 | Y132-A136 PolarHBondContact O-N 3.22Å; D133-A136 PolarHBondContact O-N 2.88Å; D134-A136 VanDerWaalsContact C-N 3.34Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.01Å; A136-G139 PolarHBondContact O-N 3.45Å |
| 137 | R | 96.7 | Very high | 93.2 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 174.5 | -175.3 | -166.2 | 67.6 | 88.4 | -4.9 | 112.6 | D133 D134 Y135 G139 D356 Y358 Y359 | D133-R137 WeakPolarHBondContact O-CB 3.5Å; D133-R137 PolarHBondContact O-N 3.49Å; D134-R137 WeakPolarHBondContact O-CB 3.24Å; D134-R137 PolarHBondContact O-N 3.02Å; D134-R137 IonicContact OD1-CZ 2.68Å; D134-R137 VanDerWaalsContact OD1-CZ 3.31Å; D134-R137 IonicContact OD1-NE 3.75Å; D134-R137 PolarHBondContact OD1-NE 3.26Å; D134-R137 IonicContact OD1-NH2 2.93Å; D134-R137 PolarHBondContact OD1-NH2 3.37Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; Y135-R137 PolarHBondContact O-N 2.82Å; R137-G139 PolarHBondContact O-N 2.97Å; R137-D356 IonicContact CZ-OD2 2.66Å; R137-D356 VanDerWaalsContact CZ-OD2 3.31Å; R137-D356 IonicContact NH1-OD1 3.64Å; R137-D356 IonicContact NH1-OD2 3.65Å; R137-D356 PolarHBondContact NH1-OD2 3.22Å; R137-D356 IonicContact NH2-OD2 3.94Å; R137-D356 PolarHBondContact NH2-OD2 2.69Å; R137-Y358 VanDerWaalsContact NE-CE1 3.3Å; R137-Y359 PolarHBondContact NH2-OH 2.85Å |
| 138 | L | 97.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 3.3 | 175.1 | -67.4 | 172 | 0 | 0 | 0 | 113.3 | D134 Y135 A136 L140 Y192 | D134-L138 WeakPolarHBondContact O-CB 3.36Å; D134-L138 WeakPolarHBondContact O-CG 3.18Å; D134-L138 PolarHBondContact O-N 2.91Å; Y135-L138 CarbonylContact O-C 3.53Å; Y135-L138 PolarHBondContact O-N 3.44Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.01Å; L138-L140 HydrophobicContact CB-CD1 3.82Å; L138-L140 HydrophobicContact CB-CG 4.33Å; L138-L140 HydrophobicContact CD1-CD1 4.4Å; L138-Y192 HydrophobicContact CD1-CD2 4.13Å; L138-Y192 HydrophobicContact CD2-CD2 3.9Å; L138-Y192 HydrophobicContact CD2-CE2 3.66Å |
| 139 | G | 97.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 37.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y135 A136 R137 N142 | Y135-G139 PolarHBondContact O-N 3.31Å; A136-G139 PolarHBondContact O-N 3.45Å; R137-G139 PolarHBondContact O-N 2.97Å; G139-N142 WeakPolarHBondContact O-CB 3.29Å; G139-N142 PolarHBondContact O-ND2 3.47Å |
| 140 | L | 97.5 | Very high | 95.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -118.3 | 149 | -178.9 | -59.9 | 157.2 | 0 | 0 | 0 | 111.3 | Y135 L138 W145 F165 L190 L193 | Y135-L140 HydrophobicContact CD1-CD1 3.7Å; Y135-L140 VanDerWaalsContact O-CB 3.28Å; Y135-L140 WeakPolarHBondContact O-CB 3.49Å; Y135-L140 PolarHBondContact O-N 2.95Å; L138-L140 HydrophobicContact CB-CD1 3.82Å; L138-L140 HydrophobicContact CB-CG 4.33Å; L138-L140 HydrophobicContact CD1-CD1 4.4Å; L140-W145 HydrophobicContact CD2-CB 3.45Å; L140-W145 VanDerWaalsContact CD2-CB 3.45Å; L140-W145 HydrophobicContact CD2-CG 3.89Å; L140-F165 HydrophobicContact CB-CD1 4.09Å; L140-F165 HydrophobicContact CB-CE1 3.67Å; L140-L190 HydrophobicContact CD1-CD2 3.42Å; L140-L190 VanDerWaalsContact CD1-CD2 3.42Å; L140-L190 HydrophobicContact CD2-CD2 3.88Å; L140-L190 HydrophobicContact CG-CD2 4.32Å; L140-L193 HydrophobicContact CD1-CB 4.42Å; L140-L193 HydrophobicContact CD2-CD2 3.98Å; L140-L193 HydrophobicContact CG-CD2 4.3Å | ||
| 141 | P | 97.5 | Very high | 95.8 | Very high | 69 Ų | 69 | 45 Ų | 45 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | S | Bend | cis | -67.9 | 158.3 | -6.2 | 30.8 | -35.9 | 0 | 0 | 0 | 112.4 | W145 I147 F165 | P141-W145 WeakPolarHBondContact CA-O 3.45Å; P141-W145 VanDerWaalsContact CB-O 3.3Å; P141-W145 WeakPolarHBondContact CB-O 3.5Å; P141-I147 HydrophobicContact CB-CG1 4.42Å; P141-I147 HydrophobicContact CG-CD1 4.29Å; P141-I147 HydrophobicContact CG-CG1 4.37Å; P141-F165 HydrophobicContact CB-CE1 4.37Å |
| 142 | N | 97.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | trans | -143.2 | -171.6 | 179 | 63.6 | 27.6 | 0 | 0 | 0 | 111.2 | G139 K144 W145 R168 | G139-N142 WeakPolarHBondContact O-CB 3.29Å; G139-N142 PolarHBondContact O-ND2 3.47Å; N142-K144 PolarHBondContact O-N 3.13Å; N142-K144 PolarHBondContact OD1-N 3.17Å; N142-W145 PolarHBondContact N-O 3.2Å; N142-W145 PolarHBondContact O-N 2.88Å; N142-W145 PolarHBondContact OD1-N 3.16Å; N142-R168 PolarHBondContact O-NE 2.85Å; N142-R168 PolarHBondContact O-NH2 3.3Å | ||
| 143 | E | 96.9 | Very high | 96.4 | Very high | 156 Ų | 156 | 52.7 Ų | 52.7 | 73% | 0.729 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -54.4 | -23.4 | -178.7 | -61 | -61.3 | 166.8 | 0 | 0 | 114.4 | R168 | E143-R168 VanDerWaalsContact O-CD 3.3Å; E143-R168 WeakPolarHBondContact O-CD 3.39Å |
| 144 | K | 97.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 22% | 0.222 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -110.6 | -22.6 | -174.3 | -60.3 | -176.1 | 176.1 | 173.9 | 0 | 114.1 | N142 P167 R168 E198 T228 P230 | N142-K144 PolarHBondContact O-N 3.13Å; N142-K144 PolarHBondContact OD1-N 3.17Å; K144-P167 CarbonylContact O-C 3.51Å; K144-P167 WeakPolarHBondContact O-CA 3.41Å; K144-R168 PolarHBondContact O-N 3.37Å; K144-E198 WeakPolarHBondContact CE-OE1 3.4Å; K144-E198 IonicContact NZ-OE1 3.18Å; K144-E198 PolarHBondContact NZ-OE1 3.37Å; K144-E198 IonicContact NZ-OE2 2.75Å; K144-E198 PolarHBondContact NZ-OE2 3.07Å; K144-T228 HydrophobicContact CB-CG2 4.36Å; K144-T228 WeakPolarHBondContact CD-O 3.1Å; K144-T228 PolarHBondContact NZ-O 3.13Å; K144-P230 VanDerWaalsContact NZ-CD 3.34Å |
| 145 | W | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.6 | -175.8 | -68.2 | 95.1 | 0 | 0 | 0 | 111 | L140 P141 N142 V166 P167 L190 V200 C202 I225 T228 | L140-W145 HydrophobicContact CD2-CB 3.45Å; L140-W145 VanDerWaalsContact CD2-CB 3.45Å; L140-W145 HydrophobicContact CD2-CG 3.89Å; P141-W145 WeakPolarHBondContact CA-O 3.45Å; P141-W145 VanDerWaalsContact CB-O 3.3Å; P141-W145 WeakPolarHBondContact CB-O 3.5Å; N142-W145 PolarHBondContact N-O 3.2Å; N142-W145 PolarHBondContact O-N 2.88Å; N142-W145 PolarHBondContact OD1-N 3.16Å; W145-V166 WeakPolarHBondContact CA-O 3.32Å; W145-P167 HydrophobicContact CH2-CG 4.12Å; W145-P167 HydrophobicContact CZ3-CG 3.97Å; W145-L190 HydrophobicContact CB-CD2 4.4Å; W145-L190 HydrophobicContact CD2-CB 4.4Å; W145-L190 HydrophobicContact CD2-CD1 4.28Å; W145-L190 HydrophobicContact CD2-CD2 3.7Å; W145-L190 HydrophobicContact CD2-CG 4.36Å; W145-L190 HydrophobicContact CE3-CB 3.73Å; W145-L190 HydrophobicContact CE3-CD1 4.33Å; W145-L190 HydrophobicContact CE3-CD2 3.81Å; W145-L190 HydrophobicContact CE3-CG 4.18Å; W145-L190 HydrophobicContact CG-CD2 3.95Å; W145-L190 HydrophobicContact CH2-CB 4.17Å; W145-L190 HydrophobicContact CH2-CD1 3.93Å; W145-L190 HydrophobicContact CZ2-CD1 3.84Å; W145-L190 HydrophobicContact CZ3-CB 3.6Å; W145-L190 HydrophobicContact CZ3-CD1 4.17Å; W145-L190 HydrophobicContact CZ3-CD2 4.4Å; W145-L190 HydrophobicContact CZ3-CG 4.27Å; W145-V200 HydrophobicContact CH2-CG2 4.37Å; W145-V200 HydrophobicContact CZ2-CB 4.16Å; W145-V200 HydrophobicContact CZ2-CG1 3.75Å; W145-V200 HydrophobicContact CZ2-CG2 3.79Å; W145-C202 VanDerWaalsContact CH2-SG 3.55Å; W145-I225 HydrophobicContact CH2-CG1 4.3Å; W145-I225 HydrophobicContact CH2-CG2 4.44Å; W145-T228 HydrophobicContact CD2-CG2 4.37Å; W145-T228 HydrophobicContact CH2-CG2 4.35Å; W145-T228 HydrophobicContact CZ2-CG2 3.68Å; W145-T228 VanDerWaalsContact CZ2-OG1 3.26Å; W145-T228 WeakPolarHBondContact CZ2-OG1 2.89Å |
| 146 | A | 98.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F165 V166 R168 | A146-F165 WeakPolarHBondContact O-CA 3.35Å; A146-V166 PolarHBondContact N-O 2.87Å; A146-V166 PolarHBondContact O-N 3.33Å; A146-R168 HydrophobicContact CB-CB 4.08Å; A146-R168 HydrophobicContact CB-CG 4.23Å |
| 147 | I | 97.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130 | 168.1 | -58 | 173.9 | 0 | 0 | 0 | 107.4 | P141 R163 F165 | P141-I147 HydrophobicContact CB-CG1 4.42Å; P141-I147 HydrophobicContact CG-CD1 4.29Å; P141-I147 HydrophobicContact CG-CG1 4.37Å; I147-R163 HydrophobicContact CG2-CB 3.86Å; I147-R163 HydrophobicContact CG2-CG 4.16Å; I147-F165 HydrophobicContact CD1-CE1 4.22Å; I147-F165 HydrophobicContact CD1-CZ 3.83Å; I147-F165 HydrophobicContact CG1-CD1 4.13Å; I147-F165 HydrophobicContact CG1-CE1 3.46Å; I147-F165 VanDerWaalsContact CG1-CE1 3.46Å; I147-F165 HydrophobicContact CG1-CE2 3.98Å; I147-F165 HydrophobicContact CG1-CZ 3.39Å |
| 148 | S | 97.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.6 | 170.2 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | L150 I164 | S148-L150 PolarHBondContact O-N 3.04Å; S148-L150 VanDerWaalsContact OG-CB 3.24Å; S148-L150 WeakPolarHBondContact OG-CB 3.18Å; S148-L150 PolarHBondContact OG-N 3.48Å; S148-I164 PolarHBondContact N-O 3.15Å; S148-I164 PolarHBondContact O-N 3.44Å |
| 149 | E | 95 | Very high | 96 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | trans | -85.3 | 14.4 | 169.8 | -66.3 | -166.9 | -167.5 | 0 | 0 | 112.3 | N151 K152 | E149-N151 PolarHBondContact O-N 3.37Å; E149-N151 VanDerWaalsContact O-N 3.13Å; E149-K152 HydrophobicContact CB-CB 4.49Å; E149-K152 VanDerWaalsContact O-CB 3.23Å; E149-K152 WeakPolarHBondContact O-CB 3.42Å; E149-K152 PolarHBondContact O-N 3.35Å; E149-K152 IonicContact OE2-NZ 3.48Å; E149-K152 PolarHBondContact OE2-NZ 3.04Å | ||
| 150 | L | 96.2 | Very high | 96 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36.9 | -179.4 | 178.8 | 66.5 | 0 | 0 | 0 | 112.2 | S148 Y156 L175 I176 L179 | S148-L150 PolarHBondContact O-N 3.04Å; S148-L150 VanDerWaalsContact OG-CB 3.24Å; S148-L150 WeakPolarHBondContact OG-CB 3.18Å; S148-L150 PolarHBondContact OG-N 3.48Å; L150-Y156 HydrophobicContact CD1-CD2 4.13Å; L150-Y156 HydrophobicContact CD1-CE2 3.76Å; L150-Y156 HydrophobicContact CG-CD2 4.17Å; L150-Y156 HydrophobicContact CG-CE2 4.3Å; L150-Y156 WeakPolarHBondContact O-CD2 3.25Å; L150-Y156 VanDerWaalsContact O-CE2 3.3Å; L150-Y156 WeakPolarHBondContact O-CE2 3.46Å; L150-L175 HydrophobicContact CD2-CB 3.57Å; L150-L175 HydrophobicContact CD2-CD1 4.14Å; L150-L175 HydrophobicContact CD2-CG 4.48Å; L150-I176 HydrophobicContact CD1-CD1 4.34Å; L150-I176 HydrophobicContact CD1-CG1 3.95Å; L150-L179 HydrophobicContact CD2-CD2 3.89Å |
| 151 | N | 96.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 20.5 | -178.6 | -162.1 | 45.6 | 0 | 0 | 0 | 113.6 | E149 F154 Y156 C157 Y160 P161 E162 | E149-N151 PolarHBondContact O-N 3.37Å; E149-N151 VanDerWaalsContact O-N 3.13Å; N151-F154 VanDerWaalsContact O-CA 3.31Å; N151-F154 WeakPolarHBondContact O-CA 3.3Å; N151-F154 PolarHBondContact O-N 2.84Å; N151-Y156 PolarHBondContact OD1-N 3.23Å; N151-C157 PolarHBondContact ND2-O 2.57Å; N151-C157 PolarHBondContact OD1-N 3.06Å; N151-C157 PolarHBondContact OD1-O 3.27Å; N151-Y160 PolarHBondContact ND2-O 3.04Å; N151-P161 PolarHBondContact ND2-O 2.71Å; N151-E162 CarbonylContact C-O 3.56Å; N151-E162 VanDerWaalsContact C-O 3.27Å; N151-E162 WeakPolarHBondContact O-CA 2.96Å |
| 152 | K | 95 | Very high | 95.8 | Very high | 99 Ų | 99 | 54.9 Ų | 54.9 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -51.4 | 141 | 174.5 | -171.8 | 176.3 | -162.7 | 152.6 | 0 | 110.7 | E149 F154 E155 E162 | E149-K152 HydrophobicContact CB-CB 4.49Å; E149-K152 VanDerWaalsContact O-CB 3.23Å; E149-K152 WeakPolarHBondContact O-CB 3.42Å; E149-K152 PolarHBondContact O-N 3.35Å; E149-K152 IonicContact OE2-NZ 3.48Å; E149-K152 PolarHBondContact OE2-NZ 3.04Å; K152-F154 PolarHBondContact O-N 3.04Å; K152-E155 WeakPolarHBondContact O-CG 3.16Å; K152-E155 PolarHBondContact O-N 3.45Å; K152-E162 PolarHBondContact N-O 2.95Å |
| 153 | N | 92.7 | Very high | 95.7 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | 53.7 | 18.3 | -172.9 | -46.4 | -55.4 | 0 | 0 | 0 | 114.5 | E155 E162 | N153-E155 VanDerWaalsContact C-N 3.27Å; N153-E155 HydrophobicContact CB-CG 4.33Å; N153-E155 PolarHBondContact ND2-OE1 3.45Å; N153-E155 PolarHBondContact O-N 2.86Å; N153-E162 WeakPolarHBondContact CA-OE1 3.07Å; N153-E162 PolarHBondContact N-OE1 2.82Å |
| 154 | F | 94 | Very high | 95.7 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 62.3 | 27.6 | -178.3 | -48.9 | -83.3 | 0 | 0 | 0 | 114.7 | N151 K152 Y156 Y160 E162 H444 K445 L448 | N151-F154 VanDerWaalsContact O-CA 3.31Å; N151-F154 WeakPolarHBondContact O-CA 3.3Å; N151-F154 PolarHBondContact O-N 2.84Å; K152-F154 PolarHBondContact O-N 3.04Å; F154-Y156 VanDerWaalsContact C-N 3.28Å; F154-Y156 PolarHBondContact O-N 2.72Å; F154-Y160 VanDerWaalsContact CD1-O 3.27Å; F154-Y160 WeakPolarHBondContact CD1-O 3.47Å; F154-Y160 WeakPolarHBondContact CE1-O 3.35Å; F154-E162 HydrophobicContact CD1-CG 4.32Å; F154-E162 HydrophobicContact CD2-CG 4.21Å; F154-E162 HydrophobicContact CE1-CG 3.9Å; F154-E162 HydrophobicContact CE2-CG 3.75Å; F154-E162 HydrophobicContact CG-CG 4.47Å; F154-E162 HydrophobicContact CZ-CG 3.58Å; F154-H444 HydrophobicContact CE1-CB 4.19Å; F154-H444 AromaticContact CE1-CD2 3.91Å; F154-H444 AromaticContact CZ-CD2 3.82Å; F154-K445 HydrophobicContact CB-CB 4.39Å; F154-K445 HydrophobicContact CB-CD 3.84Å; F154-K445 HydrophobicContact CB-CG 4.26Å; F154-K445 HydrophobicContact CD1-CB 3.7Å; F154-K445 HydrophobicContact CD1-CG 4.37Å; F154-K445 HydrophobicContact CD2-CB 3.71Å; F154-K445 HydrophobicContact CD2-CD 4.08Å; F154-K445 HydrophobicContact CD2-CG 3.57Å; F154-K445 HydrophobicContact CE1-CB 3.79Å; F154-K445 HydrophobicContact CE2-CB 3.83Å; F154-K445 HydrophobicContact CE2-CG 3.97Å; F154-K445 HydrophobicContact CG-CB 3.65Å; F154-K445 HydrophobicContact CG-CD 3.95Å; F154-K445 HydrophobicContact CG-CG 3.8Å; F154-K445 HydrophobicContact CZ-CB 3.86Å; F154-L448 HydrophobicContact CZ-CD1 4.21Å |
| 155 | E | 93.9 | Very high | 95.7 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 60% | 0.603 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -59.7 | -31 | -171.7 | -76.9 | 172.8 | -161.3 | 0 | 0 | 114.7 | K152 N153 | K152-E155 WeakPolarHBondContact O-CG 3.16Å; K152-E155 PolarHBondContact O-N 3.45Å; N153-E155 VanDerWaalsContact C-N 3.27Å; N153-E155 HydrophobicContact CB-CG 4.33Å; N153-E155 PolarHBondContact ND2-OE1 3.45Å; N153-E155 PolarHBondContact O-N 2.86Å |
| 156 | Y | 94.7 | Very high | 95.7 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 38% | 0.376 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -112 | -30.6 | -174.7 | -69 | -87.1 | 0 | 0 | 0 | 113.9 | L150 N151 F154 L179 | L150-Y156 HydrophobicContact CD1-CD2 4.13Å; L150-Y156 HydrophobicContact CD1-CE2 3.76Å; L150-Y156 HydrophobicContact CG-CD2 4.17Å; L150-Y156 HydrophobicContact CG-CE2 4.3Å; L150-Y156 WeakPolarHBondContact O-CD2 3.25Å; L150-Y156 VanDerWaalsContact O-CE2 3.3Å; L150-Y156 WeakPolarHBondContact O-CE2 3.46Å; N151-Y156 PolarHBondContact OD1-N 3.23Å; F154-Y156 VanDerWaalsContact C-N 3.28Å; F154-Y156 PolarHBondContact O-N 2.72Å; Y156-L179 HydrophobicContact CD1-CD1 3.84Å; Y156-L179 HydrophobicContact CD1-CD2 3.71Å; Y156-L179 HydrophobicContact CD1-CG 4.47Å; Y156-L179 HydrophobicContact CE1-CD2 4.44Å; Y156-L179 HydrophobicContact CG-CD1 4.47Å; Y156-L179 HydrophobicContact CG-CD2 3.91Å |
| 157 | C | 96 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | trans | -148.9 | 101.2 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | N151 G159 Y160 R184 R186 | N151-C157 PolarHBondContact ND2-O 2.57Å; N151-C157 PolarHBondContact OD1-N 3.06Å; N151-C157 PolarHBondContact OD1-O 3.27Å; C157-G159 PolarHBondContact O-N 2.94Å; C157-Y160 HydrophobicContact CB-CG 4.42Å; C157-Y160 PolarHBondContact O-N 2.91Å; C157-Y160 VanDerWaalsContact O-N 3.14Å; C157-R184 PolarHBondContact SG-O 3.37Å; C157-R186 WeakPolarHBondContact SG-CG 3.31Å | ||
| 158 | E | 93.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 49.2 Ų | 49.2 | 53% | 0.528 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.7 | 178 | -58.9 | -175.8 | 144.1 | 0 | 0 | 113.9 | Y160 K445 | E158-Y160 VanDerWaalsContact C-N 3.34Å; E158-K445 HydrophobicContact CB-CD 4.06Å; E158-K445 HydrophobicContact CG-CD 3.95Å; E158-K445 IonicContact OE1-NZ 3.58Å; E158-K445 PolarHBondContact OE1-NZ 2.78Å |
| 159 | G | 93.7 | Very high | 95.8 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C157 R186 Y376 G377 | C157-G159 PolarHBondContact O-N 2.94Å; G159-R186 PolarHBondContact O-NH1 3.47Å; G159-Y376 CarbonylContact O-C 3.59Å; G159-G377 PolarHBondContact O-N 2.96Å |
| 160 | Y | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -107.1 | 157.4 | 176.5 | -85.9 | 9.9 | 0 | 0 | 0 | 110.5 | N151 F154 C157 E158 I164 R186 L187 V189 R203 C204 Y376 | N151-Y160 PolarHBondContact ND2-O 3.04Å; F154-Y160 VanDerWaalsContact CD1-O 3.27Å; F154-Y160 WeakPolarHBondContact CD1-O 3.47Å; F154-Y160 WeakPolarHBondContact CE1-O 3.35Å; C157-Y160 HydrophobicContact CB-CG 4.42Å; C157-Y160 PolarHBondContact O-N 2.91Å; C157-Y160 VanDerWaalsContact O-N 3.14Å; E158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-I164 HydrophobicContact CD2-CG2 4.16Å; Y160-R186 HydrophobicContact CD1-CG 4.05Å; Y160-R186 HydrophobicContact CE1-CB 3.77Å; Y160-R186 HydrophobicContact CE1-CG 3.74Å; Y160-R186 HydrophobicContact CE2-CB 4.39Å; Y160-R186 PolarHBondContact OH-O 2.79Å; Y160-L187 HydrophobicContact CD2-CD2 3.98Å; Y160-L187 HydrophobicContact CE2-CD2 3.75Å; Y160-L187 VanDerWaalsContact CE2-O 3.23Å; Y160-L187 WeakPolarHBondContact CE2-O 3.37Å; Y160-L187 PolarHBondContact OH-O 3.09Å; Y160-V189 HydrophobicContact CD2-CG1 4.29Å; Y160-V189 HydrophobicContact CE2-CB 4.41Å; Y160-V189 HydrophobicContact CE2-CG1 3.74Å; Y160-V189 HydrophobicContact CE2-CG2 3.73Å; Y160-R203 PolarHBondContact OH-O 3.05Å; Y160-C204 WeakPolarHBondContact OH-CA 3.32Å; Y160-Y376 AromaticContact CD1-CD1 3.64Å; Y160-Y376 HydrophobicContact CD1-CD1 3.64Å; Y160-Y376 HydrophobicContact CD1-CE1 4.21Å; Y160-Y376 AromaticContact CE1-CD1 3.81Å; Y160-Y376 HydrophobicContact CE1-CD1 3.81Å; Y160-Y376 HydrophobicContact CE1-CE1 4.35Å; Y160-Y376 HydrophobicContact CG-CD1 4.16Å; Y160-Y376 HydrophobicContact CG-CE1 4.33Å |
| 161 | P | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -67.5 | 163.6 | 171.5 | 30.5 | -34.1 | 0 | 0 | 0 | 111 | N151 R163 I164 M375 Y376 | N151-P161 PolarHBondContact ND2-O 2.71Å; P161-R163 VanDerWaalsContact C-N 3.31Å; P161-R163 PolarHBondContact O-N 2.82Å; P161-I164 HydrophobicContact CG-CG2 4.24Å; P161-M375 HydrophobicContact CB-CB 4.29Å; P161-M375 HydrophobicContact CB-CE 3.92Å; P161-M375 WeakPolarHBondContact CD-O 3.21Å; P161-M375 HydrophobicContact CG-CB 4.45Å; P161-M375 HydrophobicContact CG-CE 4.15Å; P161-Y376 VanDerWaalsContact CD-CE1 3.5Å; P161-Y376 HydrophobicContact CG-CD1 4.34Å; P161-Y376 HydrophobicContact CG-CE1 3.92Å | ||
| 162 | E | 94.3 | Very high | 96 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -62.1 | -39.9 | 180 | -65.9 | -173.4 | 95.8 | 0 | 0 | 112.9 | N151 K152 N153 F154 | N151-E162 CarbonylContact C-O 3.56Å; N151-E162 VanDerWaalsContact C-O 3.27Å; N151-E162 WeakPolarHBondContact O-CA 2.96Å; K152-E162 PolarHBondContact N-O 2.95Å; N153-E162 WeakPolarHBondContact CA-OE1 3.07Å; N153-E162 PolarHBondContact N-OE1 2.82Å; F154-E162 HydrophobicContact CD1-CG 4.32Å; F154-E162 HydrophobicContact CD2-CG 4.21Å; F154-E162 HydrophobicContact CE1-CG 3.9Å; F154-E162 HydrophobicContact CE2-CG 3.75Å; F154-E162 HydrophobicContact CG-CG 4.47Å; F154-E162 HydrophobicContact CZ-CG 3.58Å |
| 163 | R | 95.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -104.5 | 120.9 | 178.9 | -64.1 | -179.2 | -65 | -173.7 | -0.1 | 109.1 | Y132 I147 P161 | Y132-R163 HydrophobicContact CE1-CB 3.68Å; Y132-R163 VanDerWaalsContact CE2-NH2 3.3Å; Y132-R163 PolarHBondContact OH-N 3.19Å; I147-R163 HydrophobicContact CG2-CB 3.86Å; I147-R163 HydrophobicContact CG2-CG 4.16Å; P161-R163 VanDerWaalsContact C-N 3.31Å; P161-R163 PolarHBondContact O-N 2.82Å |
| 164 | I | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.2 | 180 | 58.2 | 175.5 | 0 | 0 | 0 | 110.7 | S148 Y160 P161 V166 L187 V189 | S148-I164 PolarHBondContact N-O 3.15Å; S148-I164 PolarHBondContact O-N 3.44Å; Y160-I164 HydrophobicContact CD2-CG2 4.16Å; P161-I164 HydrophobicContact CG-CG2 4.24Å; I164-V166 HydrophobicContact CD1-CG1 4.26Å; I164-V166 HydrophobicContact CG1-CG1 4.3Å; I164-L187 HydrophobicContact CD1-CD2 4.05Å; I164-V189 HydrophobicContact CB-CG1 3.93Å; I164-V189 HydrophobicContact CD1-CG1 3.98Å; I164-V189 HydrophobicContact CG1-CG1 4.42Å; I164-V189 HydrophobicContact CG2-CG1 4.31Å |
| 165 | F | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.3 | 178.2 | -77.3 | -102.3 | 0 | 0 | 0 | 110.8 | Y132 Y135 L140 P141 A146 I147 L190 | Y132-F165 HydrophobicContact CD1-CE2 4.45Å; Y135-F165 VanDerWaalsContact CB-CZ 3.47Å; Y135-F165 HydrophobicContact CD1-CD1 4.43Å; Y135-F165 AromaticContact CD1-CD2 3.89Å; Y135-F165 HydrophobicContact CD1-CD2 3.89Å; Y135-F165 HydrophobicContact CD1-CE2 4.02Å; Y135-F165 HydrophobicContact CD1-CG 4.1Å; Y135-F165 HydrophobicContact CD1-CZ 4.32Å; Y135-F165 AromaticContact CD2-CD2 3.6Å; Y135-F165 HydrophobicContact CD2-CD2 3.6Å; Y135-F165 AromaticContact CD2-CE2 3.22Å; Y135-F165 HydrophobicContact CD2-CE2 3.22Å; Y135-F165 AromaticContact CD2-CZ 3.94Å; Y135-F165 HydrophobicContact CD2-CZ 3.94Å; Y135-F165 HydrophobicContact CE1-CB 4.41Å; Y135-F165 AromaticContact CE1-CD2 3.96Å; Y135-F165 HydrophobicContact CE1-CD2 3.96Å; Y135-F165 HydrophobicContact CE1-CE2 4.46Å; Y135-F165 HydrophobicContact CE1-CG 4.2Å; Y135-F165 AromaticContact CE2-CD2 3.66Å; Y135-F165 HydrophobicContact CE2-CD2 3.66Å; Y135-F165 AromaticContact CE2-CE2 3.75Å; Y135-F165 HydrophobicContact CE2-CE2 3.75Å; Y135-F165 AromaticContact CG-CD2 3.72Å; Y135-F165 HydrophobicContact CG-CD2 3.72Å; Y135-F165 HydrophobicContact CG-CE1 4.27Å; Y135-F165 AromaticContact CG-CE2 3.38Å; Y135-F165 HydrophobicContact CG-CE2 3.38Å; Y135-F165 HydrophobicContact CG-CG 4.3Å; Y135-F165 AromaticContact CG-CZ 3.67Å; Y135-F165 HydrophobicContact CG-CZ 3.67Å; Y135-F165 AromaticContact CZ-CD2 3.84Å; L140-F165 HydrophobicContact CB-CD1 4.09Å; L140-F165 HydrophobicContact CB-CE1 3.67Å; P141-F165 HydrophobicContact CB-CE1 4.37Å; A146-F165 WeakPolarHBondContact O-CA 3.35Å; I147-F165 HydrophobicContact CD1-CE1 4.22Å; I147-F165 HydrophobicContact CD1-CZ 3.83Å; I147-F165 HydrophobicContact CG1-CD1 4.13Å; I147-F165 HydrophobicContact CG1-CE1 3.46Å; I147-F165 VanDerWaalsContact CG1-CE1 3.46Å; I147-F165 HydrophobicContact CG1-CE2 3.98Å; I147-F165 HydrophobicContact CG1-CZ 3.39Å; F165-L190 HydrophobicContact CB-CB 3.81Å; F165-L190 HydrophobicContact CB-CD2 4.26Å; F165-L190 PolarHBondContact O-N 3.12Å |
| 166 | V | 98.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 162.1 | -176 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | W145 A146 I164 R168 V170 L175 V189 | W145-V166 WeakPolarHBondContact CA-O 3.32Å; A146-V166 PolarHBondContact N-O 2.87Å; A146-V166 PolarHBondContact O-N 3.33Å; I164-V166 HydrophobicContact CD1-CG1 4.26Å; I164-V166 HydrophobicContact CG1-CG1 4.3Å; V166-R168 PolarHBondContact O-N 2.85Å; V166-V170 HydrophobicContact CB-CG1 4.17Å; V166-V170 HydrophobicContact CG2-CG1 3.92Å; V166-L175 HydrophobicContact CB-CD2 4.25Å; V166-L175 HydrophobicContact CG1-CD2 3.96Å; V166-L175 HydrophobicContact CG2-CD1 4.22Å; V166-V189 HydrophobicContact CG1-CG1 4.44Å |
| 167 | P | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 130.9 | 174.6 | -25.9 | 35.7 | 0 | 0 | 0 | 111.2 | K144 W145 H169 V170 H224 I225 T228 | K144-P167 CarbonylContact O-C 3.51Å; K144-P167 WeakPolarHBondContact O-CA 3.41Å; W145-P167 HydrophobicContact CH2-CG 4.12Å; W145-P167 HydrophobicContact CZ3-CG 3.97Å; P167-H169 PolarHBondContact O-N 2.99Å; P167-H169 VanDerWaalsContact O-N 3.08Å; P167-V170 WeakPolarHBondContact O-CG1 3.33Å; P167-V170 PolarHBondContact O-N 2.86Å; P167-V170 VanDerWaalsContact O-N 3.09Å; P167-H224 HydrophobicContact CB-CB 3.95Å; P167-H224 HydrophobicContact CG-CB 4.02Å; P167-I225 HydrophobicContact CG-CG1 3.76Å; P167-T228 HydrophobicContact CB-CG2 3.87Å; P167-T228 HydrophobicContact CG-CG2 4.09Å |
| 168 | R | 98.4 | Very high | 97.2 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.8 | -171.2 | 175.5 | 175.7 | -69.9 | -101.2 | -2.3 | 113.9 | N142 E143 K144 A146 V166 | N142-R168 PolarHBondContact O-NE 2.85Å; N142-R168 PolarHBondContact O-NH2 3.3Å; E143-R168 VanDerWaalsContact O-CD 3.3Å; E143-R168 WeakPolarHBondContact O-CD 3.39Å; K144-R168 PolarHBondContact O-N 3.37Å; A146-R168 HydrophobicContact CB-CB 4.08Å; A146-R168 HydrophobicContact CB-CG 4.23Å; V166-R168 PolarHBondContact O-N 2.85Å |
| 169 | H | 96.8 | Very high | 97.4 | Very high | 147 Ų | 147 | 36.4 Ų | 36.4 | 68% | 0.681 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 11.5 | -173.6 | -57.8 | -60.1 | 0 | 0 | 0 | 114.2 | P167 P171 | P167-H169 PolarHBondContact O-N 2.99Å; P167-H169 VanDerWaalsContact O-N 3.08Å; H169-P171 WeakPolarHBondContact O-CD 3.44Å |
| 170 | V | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | trans | -74 | 127.4 | 177.1 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | V166 P167 V174 L175 L221 H224 | V166-V170 HydrophobicContact CB-CG1 4.17Å; V166-V170 HydrophobicContact CG2-CG1 3.92Å; P167-V170 WeakPolarHBondContact O-CG1 3.33Å; P167-V170 PolarHBondContact O-N 2.86Å; P167-V170 VanDerWaalsContact O-N 3.09Å; V170-V174 HydrophobicContact CG2-CB 3.94Å; V170-V174 HydrophobicContact CG2-CG1 3.69Å; V170-L175 HydrophobicContact CG1-CD1 3.95Å; V170-L175 HydrophobicContact CG1-CD2 3.72Å; V170-L175 HydrophobicContact CG1-CG 3.87Å; V170-L175 HydrophobicContact CG2-CD2 4.13Å; V170-L175 HydrophobicContact CG2-CG 4.31Å; V170-L221 HydrophobicContact CG2-CD1 3.98Å; V170-H224 HydrophobicContact CB-CB 4.41Å; V170-H224 HydrophobicContact CG2-CB 4.46Å | ||
| 171 | P | 97.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | trans | -67.2 | 143.6 | 176 | -21.8 | 33.8 | 0 | 0 | 0 | 112.5 | H169 V174 L175 | H169-P171 WeakPolarHBondContact O-CD 3.44Å; P171-V174 HydrophobicContact CB-CG2 4.16Å; P171-V174 HydrophobicContact CG-CG2 4.19Å; P171-V174 VanDerWaalsContact O-CB 3.3Å; P171-V174 WeakPolarHBondContact O-CB 3.47Å; P171-V174 PolarHBondContact O-N 3.41Å; P171-L175 PolarHBondContact O-N 3.22Å | ||
| 172 | G | 96.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -50.4 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | V174 L175 I176 | G172-V174 PolarHBondContact O-N 3.1Å; G172-L175 WeakPolarHBondContact O-CB 3.32Å; G172-L175 PolarHBondContact O-N 2.91Å; G172-L175 VanDerWaalsContact O-N 3.1Å; G172-I176 PolarHBondContact O-N 2.62Å; G172-I176 VanDerWaalsContact O-N 3.09Å |
| 173 | P | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 41.4 Ų | 41.4 | 62% | 0.623 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.6 | -30.8 | 176.3 | -27.9 | 36.4 | 0 | 0 | 0 | 114.4 | I176 G177 | P173-I176 PolarHBondContact O-N 3.1Å; P173-G177 PolarHBondContact O-N 3Å |
| 174 | V | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 177 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | V170 P171 G172 G177 S178 E217 L221 | V170-V174 HydrophobicContact CG2-CB 3.94Å; V170-V174 HydrophobicContact CG2-CG1 3.69Å; P171-V174 HydrophobicContact CB-CG2 4.16Å; P171-V174 HydrophobicContact CG-CG2 4.19Å; P171-V174 VanDerWaalsContact O-CB 3.3Å; P171-V174 WeakPolarHBondContact O-CB 3.47Å; P171-V174 PolarHBondContact O-N 3.41Å; G172-V174 PolarHBondContact O-N 3.1Å; V174-G177 PolarHBondContact O-N 2.98Å; V174-S178 WeakPolarHBondContact O-CB 3.48Å; V174-S178 PolarHBondContact O-N 3.43Å; V174-E217 HydrophobicContact CG1-CB 4.49Å; V174-E217 VanDerWaalsContact CG1-O 3.24Å; V174-E217 WeakPolarHBondContact CG1-O 3.27Å; V174-L221 HydrophobicContact CG1-CB 4.06Å |
| 175 | L | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.7 | -61.9 | 175.3 | 0 | 0 | 0 | 111.6 | L150 V166 V170 P171 G172 S178 L179 L187 L221 | L150-L175 HydrophobicContact CD2-CB 3.57Å; L150-L175 HydrophobicContact CD2-CD1 4.14Å; L150-L175 HydrophobicContact CD2-CG 4.48Å; V166-L175 HydrophobicContact CB-CD2 4.25Å; V166-L175 HydrophobicContact CG1-CD2 3.96Å; V166-L175 HydrophobicContact CG2-CD1 4.22Å; V170-L175 HydrophobicContact CG1-CD1 3.95Å; V170-L175 HydrophobicContact CG1-CD2 3.72Å; V170-L175 HydrophobicContact CG1-CG 3.87Å; V170-L175 HydrophobicContact CG2-CD2 4.13Å; V170-L175 HydrophobicContact CG2-CG 4.31Å; P171-L175 PolarHBondContact O-N 3.22Å; G172-L175 WeakPolarHBondContact O-CB 3.32Å; G172-L175 PolarHBondContact O-N 2.91Å; G172-L175 VanDerWaalsContact O-N 3.1Å; L175-S178 PolarHBondContact O-N 2.66Å; L175-L179 PolarHBondContact O-N 2.82Å; L175-L187 HydrophobicContact CB-CD1 4.14Å; L175-L187 HydrophobicContact CD2-CD1 3.9Å; L175-L221 HydrophobicContact CD2-CD1 3.94Å; L175-L221 HydrophobicContact CD2-CD2 4.35Å |
| 176 | I | 98.2 | Very high | 97.9 | Very high | 47 Ų | 47 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 179.4 | -64.4 | 168.4 | 0 | 0 | 0 | 111.8 | L150 G172 P173 L179 K180 | L150-I176 HydrophobicContact CD1-CD1 4.34Å; L150-I176 HydrophobicContact CD1-CG1 3.95Å; G172-I176 PolarHBondContact O-N 2.62Å; G172-I176 VanDerWaalsContact O-N 3.09Å; P173-I176 PolarHBondContact O-N 3.1Å; I176-L179 WeakPolarHBondContact O-CG 3.24Å; I176-K180 HydrophobicContact CG2-CD 4.39Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.34Å; I176-K180 PolarHBondContact O-N 3.41Å |
| 177 | G | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.7 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P173 V174 L179 K180 F181 | P173-G177 PolarHBondContact O-N 3Å; V174-G177 PolarHBondContact O-N 2.98Å; G177-L179 PolarHBondContact O-N 3.09Å; G177-K180 PolarHBondContact O-N 3.08Å; G177-F181 PolarHBondContact O-N 2.82Å; G177-F181 VanDerWaalsContact O-N 3.15Å |
| 178 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | V174 L175 K180 F181 R182 D218 L221 | V174-S178 WeakPolarHBondContact O-CB 3.48Å; V174-S178 PolarHBondContact O-N 3.43Å; L175-S178 PolarHBondContact O-N 2.66Å; S178-K180 VanDerWaalsContact C-N 3.28Å; S178-K180 PolarHBondContact O-N 3.02Å; S178-F181 CarbonylContact O-C 3.59Å; S178-F181 PolarHBondContact O-N 3.23Å; S178-R182 WeakPolarHBondContact O-CG 3.42Å; S178-R182 PolarHBondContact O-N 3.46Å; S178-R182 VanDerWaalsContact O-N 3.08Å; S178-D218 PolarHBondContact OG-OD1 3.43Å; S178-L221 WeakPolarHBondContact OG-CD2 3.42Å |
| 179 | L | 97.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 179.1 | 73.9 | 85.9 | 0 | 0 | 0 | 111.9 | L150 Y156 L175 I176 G177 F181 R182 G185 L187 | L150-L179 HydrophobicContact CD2-CD2 3.89Å; Y156-L179 HydrophobicContact CD1-CD1 3.84Å; Y156-L179 HydrophobicContact CD1-CD2 3.71Å; Y156-L179 HydrophobicContact CD1-CG 4.47Å; Y156-L179 HydrophobicContact CE1-CD2 4.44Å; Y156-L179 HydrophobicContact CG-CD1 4.47Å; Y156-L179 HydrophobicContact CG-CD2 3.91Å; L175-L179 PolarHBondContact O-N 2.82Å; I176-L179 WeakPolarHBondContact O-CG 3.24Å; G177-L179 PolarHBondContact O-N 3.09Å; L179-F181 PolarHBondContact O-N 3.31Å; L179-R182 PolarHBondContact O-N 3.28Å; L179-G185 VanDerWaalsContact O-CA 3.3Å; L179-G185 WeakPolarHBondContact O-CA 3.33Å; L179-L187 HydrophobicContact CB-CB 4.09Å; L179-L187 HydrophobicContact CB-CD1 4.39Å; L179-L187 HydrophobicContact CB-CD2 4.28Å; L179-L187 HydrophobicContact CB-CG 4.49Å |
| 180 | K | 97.8 | Very high | 98 | Very high | 149 Ų | 149 | 31.7 Ų | 31.7 | 65% | 0.648 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.5 | -28.4 | 177.4 | -72.7 | 175.6 | -178.9 | -179.9 | 0 | 112.2 | I176 G177 S178 | I176-K180 HydrophobicContact CG2-CD 4.39Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.34Å; I176-K180 PolarHBondContact O-N 3.41Å; G177-K180 PolarHBondContact O-N 3.08Å; S178-K180 VanDerWaalsContact C-N 3.28Å; S178-K180 PolarHBondContact O-N 3.02Å |
| 181 | F | 98 | Very high | 98.1 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 9% | 0.088 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -86.4 | -6.4 | 177.6 | -169.4 | -116.3 | 0 | 0 | 0 | 113.6 | G177 S178 L179 P207 L208 A209 A213 C215 D218 | G177-F181 PolarHBondContact O-N 2.82Å; G177-F181 VanDerWaalsContact O-N 3.15Å; S178-F181 CarbonylContact O-C 3.59Å; S178-F181 PolarHBondContact O-N 3.23Å; L179-F181 PolarHBondContact O-N 3.31Å; F181-P207 HydrophobicContact CD1-CB 3.89Å; F181-P207 HydrophobicContact CE1-CB 3.44Å; F181-P207 VanDerWaalsContact CE1-CB 3.44Å; F181-P207 HydrophobicContact CZ-CB 4.09Å; F181-P207 CarbonylContact O-C 3.54Å; F181-P207 WeakPolarHBondContact O-CA 3.45Å; F181-L208 HydrophobicContact CD2-CB 4.35Å; F181-L208 WeakPolarHBondContact CE2-O 3.48Å; F181-L208 WeakPolarHBondContact O-CB 3.46Å; F181-L208 WeakPolarHBondContact O-CG 3.34Å; F181-L208 PolarHBondContact O-N 3.33Å; F181-A209 HydrophobicContact CZ-CB 3.91Å; F181-A213 HydrophobicContact CE2-CB 4.26Å; F181-C215 HydrophobicContact CB-CB 3.72Å; F181-C215 HydrophobicContact CD1-CB 3.45Å; F181-C215 VanDerWaalsContact CD1-CB 3.45Å; F181-C215 HydrophobicContact CD2-CB 3.65Å; F181-C215 HydrophobicContact CE1-CB 3.86Å; F181-C215 HydrophobicContact CE2-CB 4.06Å; F181-C215 HydrophobicContact CG-CB 3.31Å; F181-C215 HydrophobicContact CZ-CB 4.14Å; F181-D218 HydrophobicContact CD1-CB 3.79Å; F181-D218 HydrophobicContact CE1-CB 4.49Å |
| 182 | R | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -106.7 | 138.9 | -176.9 | -68.1 | -83.7 | 176.1 | -179.7 | -9.2 | 110.2 | S178 L179 R184 G185 S205 D218 E257 | S178-R182 WeakPolarHBondContact O-CG 3.42Å; S178-R182 PolarHBondContact O-N 3.46Å; S178-R182 VanDerWaalsContact O-N 3.08Å; L179-R182 PolarHBondContact O-N 3.28Å; R182-R184 PolarHBondContact O-N 3.17Å; R182-G185 PolarHBondContact O-N 2.82Å; R182-S205 WeakPolarHBondContact CD-O 3.29Å; R182-S205 PolarHBondContact NH1-O 2.62Å; R182-D218 IonicContact CZ-OD1 3.97Å; R182-D218 IonicContact CZ-OD2 3.54Å; R182-D218 IonicContact NE-OD1 3.24Å; R182-D218 PolarHBondContact NE-OD1 3.33Å; R182-D218 IonicContact NE-OD2 3.8Å; R182-D218 IonicContact NH2-OD1 2.87Å; R182-D218 PolarHBondContact NH2-OD1 3.16Å; R182-D218 IonicContact NH2-OD2 2.82Å; R182-D218 PolarHBondContact NH2-OD2 2.93Å; R182-E257 IonicContact CZ-OE1 2.95Å; R182-E257 IonicContact NH1-OE1 3.4Å; R182-E257 PolarHBondContact NH1-OE1 2.93Å; R182-E257 IonicContact NH2-OE1 3.26Å; R182-E257 PolarHBondContact NH2-OE1 3.42Å |
| 183 | S | 97.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -52.8 | 120.5 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | G185 R186 S205 Q206 D339 | S183-G185 VanDerWaalsContact C-N 3.3Å; S183-G185 PolarHBondContact O-N 3.24Å; S183-R186 PolarHBondContact O-N 3.29Å; S183-S205 PolarHBondContact N-OG 3.05Å; S183-S205 WeakPolarHBondContact O-CB 3.31Å; S183-S205 PolarHBondContact O-OG 2.81Å; S183-Q206 PolarHBondContact N-O 3.3Å; S183-D339 PolarHBondContact OG-OD1 2.81Å |
| 184 | R | 96.6 | Very high | 98.2 | Very high | 159 Ų | 159 | 22.9 Ų | 22.9 | 60% | 0.6 | 11% | 0.107 | S | C | * | . | G | 310 helix | trans | 59.9 | 30.7 | 179.4 | -54.5 | 175.8 | 175.9 | -104.2 | 9 | 114.9 | C157 R182 R186 D339 W341 | C157-R184 PolarHBondContact SG-O 3.37Å; R182-R184 PolarHBondContact O-N 3.17Å; R184-R186 PolarHBondContact O-N 2.96Å; R184-D339 IonicContact NE-OD1 2.72Å; R184-W341 VanDerWaalsContact CZ-CH2 3.49Å |
| 185 | G | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | 77.3 | 3.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L179 R182 S183 L187 | L179-G185 VanDerWaalsContact O-CA 3.3Å; L179-G185 WeakPolarHBondContact O-CA 3.33Å; R182-G185 PolarHBondContact O-N 2.82Å; S183-G185 VanDerWaalsContact C-N 3.3Å; S183-G185 PolarHBondContact O-N 3.24Å; G185-L187 VanDerWaalsContact C-N 3.26Å; G185-L187 WeakPolarHBondContact O-CD2 3.35Å; G185-L187 PolarHBondContact O-N 3.19Å |
| 186 | R | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | trans | -83.2 | 70.3 | -171.3 | -65.2 | 172.5 | 71.6 | 87.6 | -1.8 | 111.3 | C157 G159 Y160 S183 R184 C204 S205 D339 G340 Y376 | C157-R186 WeakPolarHBondContact SG-CG 3.31Å; G159-R186 PolarHBondContact O-NH1 3.47Å; Y160-R186 HydrophobicContact CD1-CG 4.05Å; Y160-R186 HydrophobicContact CE1-CB 3.77Å; Y160-R186 HydrophobicContact CE1-CG 3.74Å; Y160-R186 HydrophobicContact CE2-CB 4.39Å; Y160-R186 PolarHBondContact OH-O 2.79Å; S183-R186 PolarHBondContact O-N 3.29Å; R184-R186 PolarHBondContact O-N 2.96Å; R186-C204 WeakPolarHBondContact O-CA 3.44Å; R186-C204 VanDerWaalsContact O-CB 3.28Å; R186-C204 WeakPolarHBondContact O-CB 3.49Å; R186-S205 PolarHBondContact O-N 3.35Å; R186-S205 PolarHBondContact O-OG 3.17Å; R186-D339 WeakPolarHBondContact CD-O 3.38Å; R186-D339 PolarHBondContact NE-O 3.48Å; R186-G340 PolarHBondContact NH2-O 3.13Å; R186-Y376 PolarHBondContact NH1-O 2.87Å; R186-Y376 PolarHBondContact NH2-O 2.85Å | ||
| 187 | L | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | trans | -61 | 159.7 | 176.9 | 76.7 | 169.5 | 0 | 0 | 0 | 113.4 | Y160 I164 L175 L179 G185 V189 L221 | Y160-L187 HydrophobicContact CD2-CD2 3.98Å; Y160-L187 HydrophobicContact CE2-CD2 3.75Å; Y160-L187 VanDerWaalsContact CE2-O 3.23Å; Y160-L187 WeakPolarHBondContact CE2-O 3.37Å; Y160-L187 PolarHBondContact OH-O 3.09Å; I164-L187 HydrophobicContact CD1-CD2 4.05Å; L175-L187 HydrophobicContact CB-CD1 4.14Å; L175-L187 HydrophobicContact CD2-CD1 3.9Å; L179-L187 HydrophobicContact CB-CB 4.09Å; L179-L187 HydrophobicContact CB-CD1 4.39Å; L179-L187 HydrophobicContact CB-CD2 4.28Å; L179-L187 HydrophobicContact CB-CG 4.49Å; G185-L187 VanDerWaalsContact C-N 3.26Å; G185-L187 WeakPolarHBondContact O-CD2 3.35Å; G185-L187 PolarHBondContact O-N 3.19Å; L187-V189 HydrophobicContact CD2-CG1 4.19Å; L187-V189 HydrophobicContact CG-CG1 4.16Å; L187-V189 PolarHBondContact O-N 2.84Å; L187-L221 HydrophobicContact CD1-CD2 4.42Å | ||
| 188 | P | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -53.9 | 121.3 | 168.9 | -27 | 34.5 | 0 | 0 | 0 | 113.3 | R203 C204 L221 M222 I225 | P188-R203 WeakPolarHBondContact CA-O 3.46Å; P188-C204 HydrophobicContact CB-CB 4.4Å; P188-C204 HydrophobicContact CG-CB 4.03Å; P188-L221 HydrophobicContact CB-CD2 3.95Å; P188-L221 HydrophobicContact CB-CG 4.38Å; P188-L221 HydrophobicContact CG-CD2 3.96Å; P188-M222 HydrophobicContact CB-CE 4.38Å; P188-M222 HydrophobicContact CG-CE 3.49Å; P188-M222 VanDerWaalsContact CG-CE 3.49Å; P188-M222 HydrophobicContact CG-SD 4.24Å; P188-I225 HydrophobicContact CB-CD1 3.52Å | ||
| 189 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.3 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 110 | Y160 I164 V166 L187 C202 R203 Y376 | Y160-V189 HydrophobicContact CD2-CG1 4.29Å; Y160-V189 HydrophobicContact CE2-CB 4.41Å; Y160-V189 HydrophobicContact CE2-CG1 3.74Å; Y160-V189 HydrophobicContact CE2-CG2 3.73Å; I164-V189 HydrophobicContact CB-CG1 3.93Å; I164-V189 HydrophobicContact CD1-CG1 3.98Å; I164-V189 HydrophobicContact CG1-CG1 4.42Å; I164-V189 HydrophobicContact CG2-CG1 4.31Å; V166-V189 HydrophobicContact CG1-CG1 4.44Å; L187-V189 HydrophobicContact CD2-CG1 4.19Å; L187-V189 HydrophobicContact CG-CG1 4.16Å; L187-V189 PolarHBondContact O-N 2.84Å; V189-C202 CarbonylContact O-C 3.46Å; V189-C202 WeakPolarHBondContact O-CA 3.48Å; V189-C202 VanDerWaalsContact O-CB 3.28Å; V189-C202 WeakPolarHBondContact O-CB 3.42Å; V189-R203 HydrophobicContact CG2-CG 3.84Å; V189-R203 PolarHBondContact N-O 3.36Å; V189-R203 PolarHBondContact O-N 2.96Å; V189-Y376 HydrophobicContact CG2-CE1 3.66Å |
| 190 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134.7 | 177.6 | -173.7 | 64.5 | 0 | 0 | 0 | 111.2 | Y135 L140 W145 F165 Y192 V200 | Y135-L190 PolarHBondContact OH-O 2.83Å; L140-L190 HydrophobicContact CD1-CD2 3.42Å; L140-L190 VanDerWaalsContact CD1-CD2 3.42Å; L140-L190 HydrophobicContact CD2-CD2 3.88Å; L140-L190 HydrophobicContact CG-CD2 4.32Å; W145-L190 HydrophobicContact CB-CD2 4.4Å; W145-L190 HydrophobicContact CD2-CB 4.4Å; W145-L190 HydrophobicContact CD2-CD1 4.28Å; W145-L190 HydrophobicContact CD2-CD2 3.7Å; W145-L190 HydrophobicContact CD2-CG 4.36Å; W145-L190 HydrophobicContact CE3-CB 3.73Å; W145-L190 HydrophobicContact CE3-CD1 4.33Å; W145-L190 HydrophobicContact CE3-CD2 3.81Å; W145-L190 HydrophobicContact CE3-CG 4.18Å; W145-L190 HydrophobicContact CG-CD2 3.95Å; W145-L190 HydrophobicContact CH2-CB 4.17Å; W145-L190 HydrophobicContact CH2-CD1 3.93Å; W145-L190 HydrophobicContact CZ2-CD1 3.84Å; W145-L190 HydrophobicContact CZ3-CB 3.6Å; W145-L190 HydrophobicContact CZ3-CD1 4.17Å; W145-L190 HydrophobicContact CZ3-CD2 4.4Å; W145-L190 HydrophobicContact CZ3-CG 4.27Å; F165-L190 HydrophobicContact CB-CB 3.81Å; F165-L190 HydrophobicContact CB-CD2 4.26Å; F165-L190 PolarHBondContact O-N 3.12Å; L190-Y192 WeakPolarHBondContact CD1-O 3.31Å; L190-V200 HydrophobicContact CD1-CB 3.64Å; L190-V200 HydrophobicContact CD1-CG1 3.68Å; L190-V200 HydrophobicContact CD1-CG2 4.42Å |
| 191 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -44.2 | 166.4 | -82.8 | 0 | 0 | 0 | 0 | 111.5 | I201 R203 K371 E372 | S191-I201 WeakPolarHBondContact CA-O 3.25Å; S191-I201 WeakPolarHBondContact CB-O 3.47Å; S191-I201 PolarHBondContact N-O 3.09Å; S191-R203 WeakPolarHBondContact OG-CD 3.3Å; S191-R203 VanDerWaalsContact OG-CG 3.28Å; S191-R203 WeakPolarHBondContact OG-CG 3.33Å; S191-K371 PolarHBondContact O-NZ 3.34Å; S191-E372 VanDerWaalsContact CB-OE1 3.27Å; S191-E372 WeakPolarHBondContact CB-OE1 3.26Å; S191-E372 PolarHBondContact OG-OE1 3.14Å; S191-E372 VanDerWaalsContact OG-OE1 3.07Å; S191-E372 PolarHBondContact OG-OE2 2.87Å; S191-E372 VanDerWaalsContact OG-OE2 3.06Å |
| 192 | Y | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 142.2 | -172.2 | 179.9 | -102.1 | 0 | 0 | 0 | 111.8 | L138 L190 Y194 V200 I201 L355 D356 Y359 | L138-Y192 HydrophobicContact CD1-CD2 4.13Å; L138-Y192 HydrophobicContact CD2-CD2 3.9Å; L138-Y192 HydrophobicContact CD2-CE2 3.66Å; L190-Y192 WeakPolarHBondContact CD1-O 3.31Å; Y192-Y194 AromaticContact CE1-CD2 3.89Å; Y192-Y194 HydrophobicContact CE1-CD2 3.89Å; Y192-Y194 HydrophobicContact CE1-CG 4.4Å; Y192-Y194 WeakPolarHBondContact OH-CD2 3.36Å; Y192-V200 CarbonylContact O-C 3.59Å; Y192-V200 VanDerWaalsContact O-CA 3.27Å; Y192-V200 WeakPolarHBondContact O-CA 3.48Å; Y192-V200 WeakPolarHBondContact O-CB 3.42Å; Y192-I201 HydrophobicContact CD1-CD1 4.12Å; Y192-I201 HydrophobicContact CD1-CG1 4.36Å; Y192-I201 PolarHBondContact N-O 3.5Å; Y192-I201 PolarHBondContact O-N 2.93Å; Y192-L355 HydrophobicContact CD1-CD1 4.15Å; Y192-L355 HydrophobicContact CE1-CB 4.1Å; Y192-L355 HydrophobicContact CE1-CD1 3.91Å; Y192-D356 HydrophobicContact CE2-CB 4.07Å; Y192-D356 WeakPolarHBondContact OH-CB 3.37Å; Y192-Y359 AromaticContact CD2-CE2 3.87Å; Y192-Y359 HydrophobicContact CD2-CE2 3.87Å; Y192-Y359 AromaticContact CE2-CE2 3.73Å; Y192-Y359 HydrophobicContact CE2-CE2 3.73Å |
| 193 | L | 98.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.4 | 174.7 | 171.2 | 63.5 | 0 | 0 | 0 | 109.2 | L140 S195 V200 | L140-L193 HydrophobicContact CD1-CB 4.42Å; L140-L193 HydrophobicContact CD2-CD2 3.98Å; L140-L193 HydrophobicContact CG-CD2 4.3Å; L193-S195 PolarHBondContact O-N 3.02Å; L193-V200 HydrophobicContact CB-CG1 4.41Å; L193-V200 HydrophobicContact CD1-CG1 3.58Å |
| 194 | Y | 98 | Very high | 97.8 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 5% | 0.047 | 12% | 0.12 | C | C | . | . | trans | -84.5 | 99.8 | 174.7 | -164 | -120.9 | 0 | 0 | 0 | 110 | Y192 K196 N197 E198 A199 V327 L355 L487 | Y192-Y194 AromaticContact CE1-CD2 3.89Å; Y192-Y194 HydrophobicContact CE1-CD2 3.89Å; Y192-Y194 HydrophobicContact CE1-CG 4.4Å; Y192-Y194 WeakPolarHBondContact OH-CD2 3.36Å; Y194-K196 HydrophobicContact CD1-CB 4.1Å; Y194-K196 HydrophobicContact CE1-CB 3.75Å; Y194-K196 HydrophobicContact CE1-CD 4.11Å; Y194-K196 HydrophobicContact CE1-CG 4.25Å; Y194-K196 PolarHBondContact O-N 3.37Å; Y194-N197 WeakPolarHBondContact CD1-OD1 3.39Å; Y194-N197 PolarHBondContact O-N 3.4Å; Y194-E198 PolarHBondContact O-N 2.94Å; Y194-A199 WeakPolarHBondContact CB-O 3.39Å; Y194-A199 PolarHBondContact N-O 3.48Å; Y194-V327 HydrophobicContact CD1-CG1 4.47Å; Y194-V327 HydrophobicContact CG-CG1 4.03Å; Y194-L355 HydrophobicContact CD2-CD2 4.19Å; Y194-L355 HydrophobicContact CE2-CD2 4.08Å; Y194-L487 HydrophobicContact CE2-CD2 4.35Å; Y194-L487 WeakPolarHBondContact OH-CD2 3.25Å | ||
| 195 | S | 93.9 | Very high | 97.9 | Very high | 102 Ų | 102 | 17 Ų | 17 | 71% | 0.713 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.7 | -171.4 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | L193 | L193-S195 PolarHBondContact O-N 3.02Š|
| 196 | K | 94.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 16.6 Ų | 16.6 | 52% | 0.522 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.9 | -177.8 | -63.5 | -177.2 | -173.2 | 165.7 | 0 | 114 | Y194 | Y194-K196 HydrophobicContact CD1-CB 4.1Å; Y194-K196 HydrophobicContact CE1-CB 3.75Å; Y194-K196 HydrophobicContact CE1-CD 4.11Å; Y194-K196 HydrophobicContact CE1-CG 4.25Å; Y194-K196 PolarHBondContact O-N 3.37Å |
| 197 | N | 96.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 16.5 Ų | 16.5 | 11% | 0.107 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 7.5 | -175.1 | 68 | 17.3 | 0 | 0 | 0 | 114.1 | Y194 A199 V327 S328 G330 | Y194-N197 WeakPolarHBondContact CD1-OD1 3.39Å; Y194-N197 PolarHBondContact O-N 3.4Å; N197-A199 PolarHBondContact O-N 2.77Å; N197-A199 VanDerWaalsContact O-N 3.12Å; N197-A199 WeakPolarHBondContact OD1-CB 3.38Å; N197-A199 PolarHBondContact OD1-N 2.85Å; N197-V327 PolarHBondContact ND2-O 2.82Å; N197-S328 PolarHBondContact ND2-O 2.9Å; N197-S328 VanDerWaalsContact ND2-O 3.16Å; N197-G330 VanDerWaalsContact ND2-CA 3.3Å; N197-G330 WeakPolarHBondContact ND2-CA 3.48Å; N197-G330 PolarHBondContact ND2-N 3.21Å |
| 198 | E | 96.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 19.4 Ų | 19.4 | 31% | 0.313 | 10% | 0.102 | S | C | . | . | trans | 65.9 | 6.5 | 178.8 | -43 | -175.1 | 101.3 | 0 | 0 | 115.7 | K144 Y194 | K144-E198 WeakPolarHBondContact CE-OE1 3.4Å; K144-E198 IonicContact NZ-OE1 3.18Å; K144-E198 PolarHBondContact NZ-OE1 3.37Å; K144-E198 IonicContact NZ-OE2 2.75Å; K144-E198 PolarHBondContact NZ-OE2 3.07Å; Y194-E198 PolarHBondContact O-N 2.94Å | ||
| 199 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -66.4 | 145.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y194 N197 V327 | Y194-A199 WeakPolarHBondContact CB-O 3.39Å; Y194-A199 PolarHBondContact N-O 3.48Å; N197-A199 PolarHBondContact O-N 2.77Å; N197-A199 VanDerWaalsContact O-N 3.12Å; N197-A199 WeakPolarHBondContact OD1-CB 3.38Å; N197-A199 PolarHBondContact OD1-N 2.85Å; A199-V327 HydrophobicContact CB-CG1 3.99Å; A199-V327 WeakPolarHBondContact CB-O 3.48Å | ||
| 200 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.9 | -175.9 | -63 | 0 | 0 | 0 | 0 | 112.5 | W145 L190 Y192 L193 I225 S332 V333 | W145-V200 HydrophobicContact CH2-CG2 4.37Å; W145-V200 HydrophobicContact CZ2-CB 4.16Å; W145-V200 HydrophobicContact CZ2-CG1 3.75Å; W145-V200 HydrophobicContact CZ2-CG2 3.79Å; L190-V200 HydrophobicContact CD1-CB 3.64Å; L190-V200 HydrophobicContact CD1-CG1 3.68Å; L190-V200 HydrophobicContact CD1-CG2 4.42Å; Y192-V200 CarbonylContact O-C 3.59Å; Y192-V200 VanDerWaalsContact O-CA 3.27Å; Y192-V200 WeakPolarHBondContact O-CA 3.48Å; Y192-V200 WeakPolarHBondContact O-CB 3.42Å; L193-V200 HydrophobicContact CB-CG1 4.41Å; L193-V200 HydrophobicContact CD1-CG1 3.58Å; V200-I225 HydrophobicContact CG2-CG2 4.38Å; V200-S332 PolarHBondContact N-OG 3.29Å; V200-S332 CarbonylContact O-C 2.76Å; V200-S332 WeakPolarHBondContact O-CA 3.33Å; V200-V333 PolarHBondContact O-N 3.08Å |
| 201 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.1 | 159.6 | -53.9 | 172.5 | 0 | 0 | 0 | 107.2 | S191 Y192 I323 V327 V333 V335 V348 A351 L355 | S191-I201 WeakPolarHBondContact CA-O 3.25Å; S191-I201 WeakPolarHBondContact CB-O 3.47Å; S191-I201 PolarHBondContact N-O 3.09Å; Y192-I201 HydrophobicContact CD1-CD1 4.12Å; Y192-I201 HydrophobicContact CD1-CG1 4.36Å; Y192-I201 PolarHBondContact N-O 3.5Å; Y192-I201 PolarHBondContact O-N 2.93Å; I201-I323 HydrophobicContact CD1-CG2 3.72Å; I201-I323 HydrophobicContact CG1-CG2 3.98Å; I201-I323 HydrophobicContact CG2-CG2 4.49Å; I201-V327 HydrophobicContact CD1-CG2 4.31Å; I201-V327 HydrophobicContact CG1-CG2 3.68Å; I201-V333 CarbonylContact C-O 3.49Å; I201-V333 WeakPolarHBondContact CA-O 3.16Å; I201-V335 HydrophobicContact CG2-CG2 3.95Å; I201-V348 HydrophobicContact CG2-CG1 4.17Å; I201-V348 HydrophobicContact CG2-CG2 4.03Å; I201-A351 HydrophobicContact CD1-CB 4Å; I201-L355 HydrophobicContact CD1-CD1 3.75Å |
| 202 | C | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 154.9 | 167.6 | -69.1 | 0 | 0 | 0 | 0 | 110.1 | W145 V189 I225 V333 V334 V335 | W145-C202 VanDerWaalsContact CH2-SG 3.55Å; V189-C202 CarbonylContact O-C 3.46Å; V189-C202 WeakPolarHBondContact O-CA 3.48Å; V189-C202 VanDerWaalsContact O-CB 3.28Å; V189-C202 WeakPolarHBondContact O-CB 3.42Å; C202-I225 HydrophobicContact CB-CD1 4.5Å; C202-V333 PolarHBondContact N-O 2.98Å; C202-V334 HydrophobicContact CB-CB 4.42Å; C202-V334 HydrophobicContact CB-CG1 4.41Å; C202-V334 HydrophobicContact CB-CG2 3.94Å; C202-V334 CarbonylContact O-C 3.46Å; C202-V334 WeakPolarHBondContact O-CA 3.41Å; C202-V335 PolarHBondContact O-N 3.12Å |
| 203 | R | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.1 | 176.6 | 65.7 | 179.5 | -68.3 | 170.6 | -4.1 | 112.2 | Y160 P188 V189 S191 V335 G340 T344 E372 | Y160-R203 PolarHBondContact OH-O 3.05Å; P188-R203 WeakPolarHBondContact CA-O 3.46Å; V189-R203 HydrophobicContact CG2-CG 3.84Å; V189-R203 PolarHBondContact N-O 3.36Å; V189-R203 PolarHBondContact O-N 2.96Å; S191-R203 WeakPolarHBondContact OG-CD 3.3Å; S191-R203 VanDerWaalsContact OG-CG 3.28Å; S191-R203 WeakPolarHBondContact OG-CG 3.33Å; R203-V335 WeakPolarHBondContact CA-O 3.45Å; R203-G340 PolarHBondContact NH2-O 2.89Å; R203-T344 HydrophobicContact CB-CG2 3.76Å; R203-E372 WeakPolarHBondContact CD-OE2 3.2Å; R203-E372 IonicContact CZ-OE2 3.83Å; R203-E372 IonicContact NE-OE2 2.94Å; R203-E372 PolarHBondContact NH1-O 3.21Å; R203-E372 IonicContact NH1-OE2 3.98Å; R203-E372 PolarHBondContact NH1-OE2 3.34Å |
| 204 | C | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | -177.6 | 172.1 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | Y160 R186 P188 V334 V335 H336 G340 | Y160-C204 WeakPolarHBondContact OH-CA 3.32Å; R186-C204 WeakPolarHBondContact O-CA 3.44Å; R186-C204 VanDerWaalsContact O-CB 3.28Å; R186-C204 WeakPolarHBondContact O-CB 3.49Å; P188-C204 HydrophobicContact CB-CB 4.4Å; P188-C204 HydrophobicContact CG-CB 4.03Å; C204-V334 WeakPolarHBondContact SG-CG1 3.21Å; C204-V335 PolarHBondContact N-O 3.41Å; C204-H336 WeakPolarHBondContact O-CA 3.44Å; C204-H336 WeakPolarHBondContact O-CB 3.27Å; C204-G340 WeakPolarHBondContact O-CA 3.49Å |
| 205 | S | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -94.1 | 171.9 | 160.7 | 69 | 0 | 0 | 0 | 0 | 111.8 | R182 S183 R186 D339 | R182-S205 WeakPolarHBondContact CD-O 3.29Å; R182-S205 PolarHBondContact NH1-O 2.62Å; S183-S205 PolarHBondContact N-OG 3.05Å; S183-S205 WeakPolarHBondContact O-CB 3.31Å; S183-S205 PolarHBondContact O-OG 2.81Å; R186-S205 PolarHBondContact O-N 3.35Å; R186-S205 PolarHBondContact O-OG 3.17Å; S205-D339 WeakPolarHBondContact CB-O 3.4Å |
| 206 | Q | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 153.5 | 174.9 | 75.9 | -170.5 | -61.4 | 0 | 0 | 112.4 | S183 K254 G255 C337 S338 | S183-Q206 PolarHBondContact N-O 3.3Å; Q206-K254 HydrophobicContact CG-CB 4.21Å; Q206-K254 HydrophobicContact CG-CD 4.45Å; Q206-K254 VanDerWaalsContact NE2-CD 3.34Å; Q206-K254 VanDerWaalsContact OE1-CB 3.25Å; Q206-G255 WeakPolarHBondContact CB-O 3.3Å; Q206-G255 PolarHBondContact OE1-O 3.2Å; Q206-C337 WeakPolarHBondContact CB-O 3.5Å; Q206-S338 WeakPolarHBondContact CB-O 3.46Å; Q206-S338 WeakPolarHBondContact CG-O 3.5Å; Q206-S338 PolarHBondContact N-O 3.49Å; Q206-S338 VanDerWaalsContact NE2-CA 3.35Å; Q206-S338 PolarHBondContact NE2-O 2.82Å; Q206-S338 VanDerWaalsContact NE2-O 3.14Å |
| 207 | P | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 156.9 | 170.3 | 31.9 | -35.5 | 0 | 0 | 0 | 112.5 | F181 A209 K254 G255 E257 | F181-P207 HydrophobicContact CD1-CB 3.89Å; F181-P207 HydrophobicContact CE1-CB 3.44Å; F181-P207 VanDerWaalsContact CE1-CB 3.44Å; F181-P207 HydrophobicContact CZ-CB 4.09Å; F181-P207 CarbonylContact O-C 3.54Å; F181-P207 WeakPolarHBondContact O-CA 3.45Å; P207-A209 HydrophobicContact CB-CB 4.35Å; P207-A209 HydrophobicContact CG-CB 4.31Å; P207-A209 PolarHBondContact O-N 3.33Å; P207-K254 CarbonylContact O-C 3.47Å; P207-G255 PolarHBondContact O-N 3.35Å; P207-E257 WeakPolarHBondContact CD-OE2 3.23Å; P207-E257 HydrophobicContact CG-CG 4.2Å |
| 208 | L | 96.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | trans | -89 | 46.1 | 171.6 | -58.3 | -179.7 | 0 | 0 | 0 | 110.6 | F181 G210 G253 K254 | F181-L208 HydrophobicContact CD2-CB 4.35Å; F181-L208 WeakPolarHBondContact CE2-O 3.48Å; F181-L208 WeakPolarHBondContact O-CB 3.46Å; F181-L208 WeakPolarHBondContact O-CG 3.34Å; F181-L208 PolarHBondContact O-N 3.33Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 2.65Å; L208-G253 CarbonylContact C-O 3.56Å; L208-K254 HydrophobicContact CD2-CB 4.46Å; L208-K254 HydrophobicContact CD2-CG 3.94Å | ||
| 209 | A | 93.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | trans | -73.1 | -23.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F181 P207 F211 S212 A213 | F181-A209 HydrophobicContact CZ-CB 3.91Å; P207-A209 HydrophobicContact CB-CB 4.35Å; P207-A209 HydrophobicContact CG-CB 4.31Å; P207-A209 PolarHBondContact O-N 3.33Å; A209-F211 PolarHBondContact O-N 3.27Å; A209-S212 PolarHBondContact O-N 2.87Å; A209-A213 WeakPolarHBondContact O-CA 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.5Å | ||
| 210 | G | 92.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | -137.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L208 K250 G253 K254 | L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 2.65Å; G210-K250 WeakPolarHBondContact O-CE 3.32Å; G210-K250 WeakPolarHBondContact O-CG 3.47Å; G210-G253 PolarHBondContact N-O 3.25Å; G210-K254 WeakPolarHBondContact CA-O 3.03Å; G210-K254 PolarHBondContact N-O 2.54Å |
| 211 | F | 89.7 | Confident | 96.5 | Very high | 154 Ų | 154 | 36.2 Ų | 36.2 | 68% | 0.675 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -34.8 | 177.3 | -67.3 | -73.4 | 0 | 0 | 0 | 113.9 | A209 A251 | A209-F211 PolarHBondContact O-N 3.27Å; F211-A251 HydrophobicContact CZ-CB 4.24Å |
| 212 | S | 90.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 36.4 Ų | 36.4 | 73% | 0.727 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -157.7 | 3.4 | -168.8 | 58.3 | 0 | 0 | 0 | 0 | 115.9 | A209 R214 | A209-S212 PolarHBondContact O-N 2.87Å; S212-R214 PolarHBondContact O-N 2.9Å |
| 213 | A | 93.3 | Very high | 96.3 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 42% | 0.421 | 21% | 0.209 | S | C | . | . | trans | -62.9 | 137.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F181 A209 | F181-A213 HydrophobicContact CE2-CB 4.26Å; A209-A213 WeakPolarHBondContact O-CA 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.5Å | ||
| 214 | R | 94.6 | Very high | 96.3 | Very high | 135 Ų | 135 | 41.8 Ų | 41.8 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | trans | -119.5 | 152.8 | 179 | -67.8 | -172 | 61.9 | -179.5 | -1.2 | 110 | S212 E219 N261 | S212-R214 PolarHBondContact O-N 2.9Å; R214-E219 IonicContact CZ-OE1 2.78Å; R214-E219 IonicContact CZ-OE2 2.94Å; R214-E219 IonicContact NE-OE1 3.95Å; R214-E219 PolarHBondContact NE-OE1 3.29Å; R214-E219 VanDerWaalsContact NH2-CD 3.27Å; R214-E219 IonicContact NH2-OE1 2.81Å; R214-E219 PolarHBondContact NH2-OE1 3.48Å; R214-E219 IonicContact NH2-OE2 3.97Å; R214-E219 PolarHBondContact NH2-OE2 2.79Å; R214-N261 PolarHBondContact NE-OD1 3Å; R214-N261 PolarHBondContact NH1-OD1 3.11Å | ||
| 215 | C | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | trans | -135.7 | 108.1 | 172.2 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | F181 E217 D218 E219 | F181-C215 HydrophobicContact CB-CB 3.72Å; F181-C215 HydrophobicContact CD1-CB 3.45Å; F181-C215 VanDerWaalsContact CD1-CB 3.45Å; F181-C215 HydrophobicContact CD2-CB 3.65Å; F181-C215 HydrophobicContact CE1-CB 3.86Å; F181-C215 HydrophobicContact CE2-CB 4.06Å; F181-C215 HydrophobicContact CG-CB 3.31Å; F181-C215 HydrophobicContact CZ-CB 4.14Å; C215-E217 PolarHBondContact O-N 2.91Å; C215-E217 PolarHBondContact SG-OE2 3.46Å; C215-D218 HydrophobicContact CB-CB 3.84Å; C215-D218 PolarHBondContact O-N 3.19Å; C215-D218 PolarHBondContact SG-N 3.01Å; C215-E219 VanDerWaalsContact O-CG 3.31Å; C215-E219 WeakPolarHBondContact O-CG 3.46Å; C215-E219 PolarHBondContact O-N 3.24Å | ||
| 216 | I | 97.6 | Very high | 96.2 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 60% | 0.595 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.8 | -33 | -177.2 | -62.6 | 171.1 | 0 | 0 | 0 | 109.8 | S220 | I216-S220 WeakPolarHBondContact O-CB 3.37Å; I216-S220 PolarHBondContact O-N 2.8Å |
| 217 | E | 98.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.7 | -61.6 | 77 | -163.7 | 0 | 0 | 111.5 | V174 C215 S220 L221 | V174-E217 HydrophobicContact CG1-CB 4.49Å; V174-E217 VanDerWaalsContact CG1-O 3.24Å; V174-E217 WeakPolarHBondContact CG1-O 3.27Å; C215-E217 PolarHBondContact O-N 2.91Å; C215-E217 PolarHBondContact SG-OE2 3.46Å; E217-S220 CarbonylContact O-C 3.57Å; E217-S220 WeakPolarHBondContact O-CA 3.36Å; E217-S220 WeakPolarHBondContact O-CB 3.38Å; E217-S220 PolarHBondContact O-N 2.99Å; E217-S220 VanDerWaalsContact O-N 3.15Å; E217-L221 PolarHBondContact O-N 2.69Å |
| 218 | D | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 177.3 | -166.5 | 84.9 | 0 | 0 | 0 | 112 | S178 F181 R182 C215 S220 L221 M222 Y262 | S178-D218 PolarHBondContact OG-OD1 3.43Å; F181-D218 HydrophobicContact CD1-CB 3.79Å; F181-D218 HydrophobicContact CE1-CB 4.49Å; R182-D218 IonicContact CZ-OD1 3.97Å; R182-D218 IonicContact CZ-OD2 3.54Å; R182-D218 IonicContact NE-OD1 3.24Å; R182-D218 PolarHBondContact NE-OD1 3.33Å; R182-D218 IonicContact NE-OD2 3.8Å; R182-D218 IonicContact NH2-OD1 2.87Å; R182-D218 PolarHBondContact NH2-OD1 3.16Å; R182-D218 IonicContact NH2-OD2 2.82Å; R182-D218 PolarHBondContact NH2-OD2 2.93Å; C215-D218 HydrophobicContact CB-CB 3.84Å; C215-D218 PolarHBondContact O-N 3.19Å; C215-D218 PolarHBondContact SG-N 3.01Å; D218-S220 PolarHBondContact O-N 3.02Å; D218-L221 PolarHBondContact O-N 2.83Å; D218-M222 WeakPolarHBondContact O-CG 3.43Å; D218-M222 PolarHBondContact O-N 2.96Å; D218-Y262 PolarHBondContact OD2-OH 3.3Å |
| 219 | E | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 172.2 | -64.9 | 167.9 | -163.9 | 0 | 0 | 111.5 | R214 C215 R223 Y262 | R214-E219 IonicContact CZ-OE1 2.78Å; R214-E219 IonicContact CZ-OE2 2.94Å; R214-E219 IonicContact NE-OE1 3.95Å; R214-E219 PolarHBondContact NE-OE1 3.29Å; R214-E219 VanDerWaalsContact NH2-CD 3.27Å; R214-E219 IonicContact NH2-OE1 2.81Å; R214-E219 PolarHBondContact NH2-OE1 3.48Å; R214-E219 IonicContact NH2-OE2 3.97Å; R214-E219 PolarHBondContact NH2-OE2 2.79Å; C215-E219 VanDerWaalsContact O-CG 3.31Å; C215-E219 WeakPolarHBondContact O-CG 3.46Å; C215-E219 PolarHBondContact O-N 3.24Å; E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 VanDerWaalsContact O-N 3.17Å; E219-R223 IonicContact OE2-NH2 2.73Å; E219-R223 PolarHBondContact OE2-NH2 2.82Å; E219-Y262 HydrophobicContact CB-CD1 4.41Å; E219-Y262 HydrophobicContact CB-CE1 4.29Å; E219-Y262 HydrophobicContact CG-CD1 4.14Å; E219-Y262 HydrophobicContact CG-CD2 4.47Å; E219-Y262 HydrophobicContact CG-CE1 3.86Å; E219-Y262 HydrophobicContact CG-CE2 4.2Å; E219-Y262 HydrophobicContact CG-CG 4.45Å |
| 220 | S | 97.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.9 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | I216 E217 D218 M222 R223 H224 | I216-S220 WeakPolarHBondContact O-CB 3.37Å; I216-S220 PolarHBondContact O-N 2.8Å; E217-S220 CarbonylContact O-C 3.57Å; E217-S220 WeakPolarHBondContact O-CA 3.36Å; E217-S220 WeakPolarHBondContact O-CB 3.38Å; E217-S220 PolarHBondContact O-N 2.99Å; E217-S220 VanDerWaalsContact O-N 3.15Å; D218-S220 PolarHBondContact O-N 3.02Å; S220-M222 VanDerWaalsContact C-N 3.32Å; S220-M222 PolarHBondContact O-N 2.85Å; S220-R223 VanDerWaalsContact CA-NH1 3.31Å; S220-R223 WeakPolarHBondContact O-CB 3.27Å; S220-R223 PolarHBondContact O-N 3.44Å; S220-R223 VanDerWaalsContact O-N 3.16Å; S220-H224 PolarHBondContact O-N 2.9Å; S220-H224 PolarHBondContact O-ND1 3.29Å; S220-H224 PolarHBondContact OG-CE1 3.49Å |
| 221 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.8 | 177.4 | 57.7 | 0 | 0 | 0 | 111 | V170 V174 L175 S178 L187 P188 E217 D218 R223 H224 I225 | V170-L221 HydrophobicContact CG2-CD1 3.98Å; V174-L221 HydrophobicContact CG1-CB 4.06Å; L175-L221 HydrophobicContact CD2-CD1 3.94Å; L175-L221 HydrophobicContact CD2-CD2 4.35Å; S178-L221 WeakPolarHBondContact OG-CD2 3.42Å; L187-L221 HydrophobicContact CD1-CD2 4.42Å; P188-L221 HydrophobicContact CB-CD2 3.95Å; P188-L221 HydrophobicContact CB-CG 4.38Å; P188-L221 HydrophobicContact CG-CD2 3.96Å; E217-L221 PolarHBondContact O-N 2.69Å; D218-L221 PolarHBondContact O-N 2.83Å; L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 2.9Å; L221-H224 WeakPolarHBondContact O-CB 3.08Å; L221-H224 PolarHBondContact O-N 3.34Å; L221-I225 HydrophobicContact CD1-CD1 4.46Å; L221-I225 HydrophobicContact CD1-CG1 4.47Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.41Å; L221-I225 PolarHBondContact O-N 2.61Å |
| 222 | M | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175 | -67.5 | -58.8 | -178.3 | 0 | 0 | 112.4 | P188 D218 S220 H224 I225 A226 L235 I237 Y262 V334 | P188-M222 HydrophobicContact CB-CE 4.38Å; P188-M222 HydrophobicContact CG-CE 3.49Å; P188-M222 VanDerWaalsContact CG-CE 3.49Å; P188-M222 HydrophobicContact CG-SD 4.24Å; D218-M222 WeakPolarHBondContact O-CG 3.43Å; D218-M222 PolarHBondContact O-N 2.96Å; S220-M222 VanDerWaalsContact C-N 3.32Å; S220-M222 PolarHBondContact O-N 2.85Å; M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 2.88Å; M222-I225 PolarHBondContact O-N 3.39Å; M222-I225 HydrophobicContact SD-CD1 4.33Å; M222-A226 PolarHBondContact O-N 2.9Å; M222-L235 HydrophobicContact CB-CD2 4.26Å; M222-L235 HydrophobicContact SD-CD2 4.17Å; M222-I237 HydrophobicContact CE-CD1 4.29Å; M222-I237 HydrophobicContact SD-CD1 4.48Å; M222-Y262 HydrophobicContact CB-CD1 4.04Å; M222-Y262 HydrophobicContact CB-CE1 4.44Å; M222-Y262 HydrophobicContact CG-CD1 3.75Å; M222-Y262 HydrophobicContact CG-CE1 3.76Å; M222-V334 HydrophobicContact CE-CG1 4.08Å; M222-V334 HydrophobicContact SD-CG1 4.42Å; M222-V334 HydrophobicContact SD-CG2 3.9Å |
| 223 | R | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 173.9 | -67.9 | 179.7 | -134.8 | 111.7 | 2.8 | 112.2 | E219 S220 L221 A226 K227 | E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 VanDerWaalsContact O-N 3.17Å; E219-R223 IonicContact OE2-NH2 2.73Å; E219-R223 PolarHBondContact OE2-NH2 2.82Å; S220-R223 VanDerWaalsContact CA-NH1 3.31Å; S220-R223 WeakPolarHBondContact O-CB 3.27Å; S220-R223 PolarHBondContact O-N 3.44Å; S220-R223 VanDerWaalsContact O-N 3.16Å; L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 2.9Å; R223-A226 PolarHBondContact O-N 2.64Å; R223-K227 VanDerWaalsContact O-CG 3.27Å; R223-K227 WeakPolarHBondContact O-CG 3.28Å; R223-K227 PolarHBondContact O-N 3.39Å |
| 224 | H | 98.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 55 Ų | 55 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.5 | -73.6 | 84.4 | 0 | 0 | 0 | 111.6 | P167 V170 S220 L221 M222 K227 T228 | P167-H224 HydrophobicContact CB-CB 3.95Å; P167-H224 HydrophobicContact CG-CB 4.02Å; V170-H224 HydrophobicContact CB-CB 4.41Å; V170-H224 HydrophobicContact CG2-CB 4.46Å; S220-H224 PolarHBondContact O-N 2.9Å; S220-H224 PolarHBondContact O-ND1 3.29Å; S220-H224 PolarHBondContact OG-CE1 3.49Å; L221-H224 WeakPolarHBondContact O-CB 3.08Å; L221-H224 PolarHBondContact O-N 3.34Å; M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 2.88Å; H224-K227 PolarHBondContact O-N 3.4Å; H224-T228 WeakPolarHBondContact O-CG2 3.34Å; H224-T228 PolarHBondContact O-N 3.03Å |
| 225 | I | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 173.4 | -67.8 | 170.2 | 0 | 0 | 0 | 110.1 | W145 P167 P188 V200 C202 L221 M222 K227 T228 L235 V334 | W145-I225 HydrophobicContact CH2-CG1 4.3Å; W145-I225 HydrophobicContact CH2-CG2 4.44Å; P167-I225 HydrophobicContact CG-CG1 3.76Å; P188-I225 HydrophobicContact CB-CD1 3.52Å; V200-I225 HydrophobicContact CG2-CG2 4.38Å; C202-I225 HydrophobicContact CB-CD1 4.5Å; L221-I225 HydrophobicContact CD1-CD1 4.46Å; L221-I225 HydrophobicContact CD1-CG1 4.47Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.41Å; L221-I225 PolarHBondContact O-N 2.61Å; M222-I225 PolarHBondContact O-N 3.39Å; M222-I225 HydrophobicContact SD-CD1 4.33Å; I225-K227 VanDerWaalsContact C-N 3.26Å; I225-K227 PolarHBondContact O-N 2.73Å; I225-T228 WeakPolarHBondContact O-CB 3.28Å; I225-T228 PolarHBondContact O-N 3.45Å; I225-T228 PolarHBondContact O-OG1 3.07Å; I225-L235 HydrophobicContact CG2-CD1 3.98Å; I225-L235 HydrophobicContact CG2-CD2 4.42Å; I225-V334 HydrophobicContact CD1-CG2 4.32Å; I225-V334 HydrophobicContact CG2-CG2 4.27Å |
| 226 | A | 97.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M222 R223 T228 N229 L235 | M222-A226 PolarHBondContact O-N 2.9Å; R223-A226 PolarHBondContact O-N 2.64Å; A226-T228 PolarHBondContact O-N 3.48Å; A226-N229 CarbonylContact O-C 3.27Å; A226-N229 PolarHBondContact O-N 3.06Å; A226-N229 VanDerWaalsContact O-N 3.11Å; A226-L235 HydrophobicContact CB-CB 4.17Å; A226-L235 HydrophobicContact CB-CD2 4.5Å |
| 227 | K | 96.7 | Very high | 96.8 | Very high | 151 Ų | 151 | 44.7 Ų | 44.7 | 66% | 0.657 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.6 | -18 | 177.7 | -75 | 174.2 | -179.8 | -175.2 | 0 | 114.7 | R223 H224 I225 N229 | R223-K227 VanDerWaalsContact O-CG 3.27Å; R223-K227 WeakPolarHBondContact O-CG 3.28Å; R223-K227 PolarHBondContact O-N 3.39Å; H224-K227 PolarHBondContact O-N 3.4Å; I225-K227 VanDerWaalsContact C-N 3.26Å; I225-K227 PolarHBondContact O-N 2.73Å; K227-N229 PolarHBondContact O-N 2.9Å |
| 228 | T | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.1 | 174.1 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | K144 W145 P167 H224 I225 A226 P230 | K144-T228 HydrophobicContact CB-CG2 4.36Å; K144-T228 WeakPolarHBondContact CD-O 3.1Å; K144-T228 PolarHBondContact NZ-O 3.13Å; W145-T228 HydrophobicContact CD2-CG2 4.37Å; W145-T228 HydrophobicContact CH2-CG2 4.35Å; W145-T228 HydrophobicContact CZ2-CG2 3.68Å; W145-T228 VanDerWaalsContact CZ2-OG1 3.26Å; W145-T228 WeakPolarHBondContact CZ2-OG1 2.89Å; P167-T228 HydrophobicContact CB-CG2 3.87Å; P167-T228 HydrophobicContact CG-CG2 4.09Å; H224-T228 WeakPolarHBondContact O-CG2 3.34Å; H224-T228 PolarHBondContact O-N 3.03Å; I225-T228 WeakPolarHBondContact O-CB 3.28Å; I225-T228 PolarHBondContact O-N 3.45Å; I225-T228 PolarHBondContact O-OG1 3.07Å; A226-T228 PolarHBondContact O-N 3.48Å; T228-P230 WeakPolarHBondContact O-CD 3.38Å |
| 229 | N | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -122.9 | 79.8 | 173.5 | 178.6 | 3.1 | 0 | 0 | 0 | 109.5 | A226 K227 Q231 S232 G330 S332 | A226-N229 CarbonylContact O-C 3.27Å; A226-N229 PolarHBondContact O-N 3.06Å; A226-N229 VanDerWaalsContact O-N 3.11Å; K227-N229 PolarHBondContact O-N 2.9Å; N229-Q231 PolarHBondContact O-N 3.39Å; N229-Q231 VanDerWaalsContact O-N 3.16Å; N229-Q231 PolarHBondContact OD1-N 2.85Å; N229-S232 PolarHBondContact O-N 3.29Å; N229-S232 VanDerWaalsContact O-N 3.15Å; N229-S232 PolarHBondContact OD1-N 2.62Å; N229-G330 PolarHBondContact ND2-O 3.36Å; N229-S332 VanDerWaalsContact CB-OG 3.27Å; N229-S332 WeakPolarHBondContact CB-OG 3.27Å; N229-S332 PolarHBondContact ND2-OG 3.05Å; N229-S332 VanDerWaalsContact ND2-OG 3.16Å | ||
| 230 | P | 92.9 | Very high | 96.9 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 58% | 0.584 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.9 | -176.8 | 28.9 | -35.5 | 0 | 0 | 0 | 113.5 | K144 T228 S232 | K144-P230 VanDerWaalsContact NZ-CD 3.34Å; T228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-S232 VanDerWaalsContact C-N 3.33Å |
| 231 | Q | 92.2 | Very high | 96.9 | Very high | 136 Ų | 136 | 39.7 Ų | 39.7 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25.5 | 177 | -54.9 | -175.9 | 21.9 | 0 | 0 | 111.6 | N229 | N229-Q231 PolarHBondContact O-N 3.39Å; N229-Q231 VanDerWaalsContact O-N 3.16Å; N229-Q231 PolarHBondContact OD1-N 2.85Å |
| 232 | S | 95 | Very high | 96.8 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | trans | -89.4 | 133.5 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | N229 P230 T234 G330 | N229-S232 PolarHBondContact O-N 3.29Å; N229-S232 VanDerWaalsContact O-N 3.15Å; N229-S232 PolarHBondContact OD1-N 2.62Å; P230-S232 VanDerWaalsContact C-N 3.33Å; S232-T234 VanDerWaalsContact C-N 3.29Å; S232-T234 PolarHBondContact OG-N 2.82Å; S232-T234 VanDerWaalsContact OG-N 3.15Å; S232-T234 PolarHBondContact OG-O 3.28Å; S232-G330 WeakPolarHBondContact CB-O 3.5Å | ||
| 233 | K | 91.6 | Very high | 96.7 | Very high | 187 Ų | 187 | 45.9 Ų | 45.9 | 81% | 0.813 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -81.9 | -9.1 | 170.8 | -64.1 | -178.6 | -178.3 | 176.8 | 0 | 112.9 | ||
| 234 | T | 96.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | trans | -143.9 | 142 | -169.7 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | S232 F236 N264 R266 | S232-T234 VanDerWaalsContact C-N 3.29Å; S232-T234 PolarHBondContact OG-N 2.82Å; S232-T234 VanDerWaalsContact OG-N 3.15Å; S232-T234 PolarHBondContact OG-O 3.28Å; T234-F236 HydrophobicContact CG2-CD1 3.92Å; T234-F236 HydrophobicContact CG2-CE1 3.83Å; T234-N264 CarbonylContact C-O 3.48Å; T234-N264 VanDerWaalsContact CA-O 3.29Å; T234-N264 WeakPolarHBondContact CA-O 3.28Å; T234-R266 HydrophobicContact CG2-CB 4.05Å; T234-R266 HydrophobicContact CG2-CG 3.54Å | ||
| 235 | L | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.9 | 169.6 | 178.5 | 72.4 | 0 | 0 | 0 | 108.8 | M222 I225 A226 N264 V265 R266 S332 V334 | M222-L235 HydrophobicContact CB-CD2 4.26Å; M222-L235 HydrophobicContact SD-CD2 4.17Å; I225-L235 HydrophobicContact CG2-CD1 3.98Å; I225-L235 HydrophobicContact CG2-CD2 4.42Å; A226-L235 HydrophobicContact CB-CB 4.17Å; A226-L235 HydrophobicContact CB-CD2 4.5Å; L235-N264 PolarHBondContact N-O 2.79Å; L235-V265 HydrophobicContact CB-CG2 4.17Å; L235-V265 HydrophobicContact CD2-CG2 4.22Å; L235-V265 CarbonylContact O-C 3.54Å; L235-V265 VanDerWaalsContact O-CA 3.24Å; L235-V265 WeakPolarHBondContact O-CA 3.3Å; L235-R266 PolarHBondContact O-N 3.16Å; L235-S332 WeakPolarHBondContact CD1-O 3.45Å; L235-V334 HydrophobicContact CD1-CG2 4.17Å; L235-V334 HydrophobicContact CD2-CG2 4.04Å; L235-V334 HydrophobicContact CG-CG2 4.37Å |
| 236 | F | 98.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.8 | 173.2 | -72.4 | 0.4 | 0 | 0 | 0 | 110.3 | T234 R266 H268 F322 A326 T331 S332 V333 V334 | T234-F236 HydrophobicContact CG2-CD1 3.92Å; T234-F236 HydrophobicContact CG2-CE1 3.83Å; F236-R266 CarbonylContact C-O 3.53Å; F236-R266 WeakPolarHBondContact CA-O 3.19Å; F236-R266 HydrophobicContact CD1-CB 3.75Å; F236-R266 HydrophobicContact CD1-CG 4.49Å; F236-R266 HydrophobicContact CE1-CB 3.85Å; F236-R266 HydrophobicContact CE1-CG 4.2Å; F236-H268 AromaticContact CD2-NE2 3.95Å; F236-H268 AromaticContact CE2-NE2 3.97Å; F236-F322 HydrophobicContact CD2-CE1 4.1Å; F236-F322 AromaticContact CD2-CZ 3.87Å; F236-F322 HydrophobicContact CD2-CZ 3.87Å; F236-F322 AromaticContact CE2-CZ 3.98Å; F236-F322 HydrophobicContact CE2-CZ 3.98Å; F236-A326 HydrophobicContact CD2-CB 3.83Å; F236-A326 HydrophobicContact CE2-CB 4.06Å; F236-T331 HydrophobicContact CB-CG2 4.3Å; F236-T331 HydrophobicContact CD1-CG2 3.68Å; F236-T331 HydrophobicContact CD2-CG2 3.81Å; F236-T331 HydrophobicContact CE1-CG2 3.89Å; F236-T331 HydrophobicContact CE2-CG2 4Å; F236-T331 HydrophobicContact CG-CG2 3.65Å; F236-T331 HydrophobicContact CZ-CG2 4.04Å; F236-S332 PolarHBondContact N-O 3.21Å; F236-V333 HydrophobicContact CB-CG1 4.41Å; F236-V333 HydrophobicContact CB-CG2 4.25Å; F236-V333 CarbonylContact O-C 3.57Å; F236-V333 VanDerWaalsContact O-CA 3.31Å; F236-V333 WeakPolarHBondContact O-CA 3.38Å; F236-V334 PolarHBondContact O-N 3.21Å |
| 237 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.8 | 165.2 | -60.7 | -179.4 | 0 | 0 | 0 | 107.8 | M222 E257 V265 R266 Y267 H268 V334 | M222-I237 HydrophobicContact CE-CD1 4.29Å; M222-I237 HydrophobicContact SD-CD1 4.48Å; I237-E257 HydrophobicContact CD1-CB 4.11Å; I237-E257 HydrophobicContact CD1-CG 3.86Å; I237-V265 HydrophobicContact CB-CG1 4.25Å; I237-V265 HydrophobicContact CD1-CG1 3.55Å; I237-V265 HydrophobicContact CD1-CG2 4.46Å; I237-V265 HydrophobicContact CG1-CG1 3.6Å; I237-R266 PolarHBondContact N-O 2.83Å; I237-Y267 HydrophobicContact CB-CD2 3.69Å; I237-Y267 HydrophobicContact CB-CE2 3.86Å; I237-Y267 HydrophobicContact CD1-CD2 4.49Å; I237-Y267 HydrophobicContact CG2-CD2 3.75Å; I237-Y267 HydrophobicContact CG2-CE2 3.34Å; I237-Y267 WeakPolarHBondContact O-CA 3.31Å; I237-H268 PolarHBondContact O-N 3.4Å; I237-V334 CarbonylContact C-O 3.36Å; I237-V334 WeakPolarHBondContact CA-O 3.38Å; I237-V334 HydrophobicContact CG1-CB 4.4Å |
| 238 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 108.6 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 108.9 | T240 H268 F270 T319 F322 I323 V333 V334 V335 H336 | V238-T240 HydrophobicContact CG1-CG2 4.48Å; V238-H268 WeakPolarHBondContact CA-O 3.24Å; V238-H268 HydrophobicContact CG2-CB 4.38Å; V238-F270 HydrophobicContact CG1-CD2 3.7Å; V238-F270 HydrophobicContact CG1-CE2 3.83Å; V238-F270 HydrophobicContact CG2-CE2 4.38Å; V238-T319 HydrophobicContact CG1-CG2 4.07Å; V238-F322 HydrophobicContact CG2-CD1 4.09Å; V238-F322 HydrophobicContact CG2-CE1 3.78Å; V238-I323 HydrophobicContact CG1-CD1 4.24Å; V238-I323 HydrophobicContact CG1-CG1 4.29Å; V238-I323 HydrophobicContact CG2-CG1 4.25Å; V238-V333 HydrophobicContact CB-CG1 4.09Å; V238-V333 HydrophobicContact CG2-CG1 3.53Å; V238-V334 PolarHBondContact N-O 3.29Å; V238-V335 HydrophobicContact CB-CG2 4.32Å; V238-V335 HydrophobicContact CG1-CG1 4.37Å; V238-V335 WeakPolarHBondContact O-CA 3.35Å; V238-H336 PolarHBondContact O-N 3.32Å |
| 239 | D | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109 | 169 | -164.3 | -27.3 | 0 | 0 | 0 | 109.2 | R241 Y267 H268 F269 F270 H336 | D239-R241 PolarHBondContact O-N 2.87Å; D239-R241 VanDerWaalsContact O-N 3.09Å; D239-R241 VanDerWaalsContact OD1-CB 3.25Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 WeakPolarHBondContact OD1-CG 3.23Å; D239-R241 IonicContact OD1-CZ 3.96Å; D239-R241 PolarHBondContact OD1-N 3.07Å; D239-R241 IonicContact OD1-NE 2.88Å; D239-R241 PolarHBondContact OD1-NE 2.87Å; D239-R241 IonicContact OD1-NH2 3.61Å; D239-R241 IonicContact OD2-CZ 3.29Å; D239-R241 IonicContact OD2-NE 2.65Å; D239-R241 PolarHBondContact OD2-NE 3.35Å; D239-R241 IonicContact OD2-NH2 2.87Å; D239-R241 PolarHBondContact OD2-NH2 3.16Å; D239-Y267 HydrophobicContact CB-CE1 3.5Å; D239-Y267 VanDerWaalsContact CB-CE1 3.5Å; D239-Y267 VanDerWaalsContact CB-OH 3.24Å; D239-Y267 WeakPolarHBondContact CB-OH 3.49Å; D239-Y267 PolarHBondContact OD2-OH 2.83Å; D239-H268 PolarHBondContact N-O 2.87Å; D239-F269 HydrophobicContact CB-CD1 3.74Å; D239-F269 HydrophobicContact CB-CE1 3.89Å; D239-F269 CarbonylContact O-C 3.52Å; D239-F269 WeakPolarHBondContact O-CA 3.37Å; D239-F269 WeakPolarHBondContact OD2-CE1 3.49Å; D239-F270 PolarHBondContact O-N 3.08Å; D239-H336 IonicContact OD2-CE1 3.41Å; D239-H336 PolarHBondContact OD2-CE1 3.03Å |
| 240 | T | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -66.8 | -10.8 | -178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | V238 F270 V272 T319 V335 H336 C337 R343 T347 | V238-T240 HydrophobicContact CG1-CG2 4.48Å; T240-F270 CarbonylContact C-O 3.58Å; T240-F270 CarbonylContact O-C 3.55Å; T240-F270 VanDerWaalsContact O-O 3.1Å; T240-V272 WeakPolarHBondContact O-CA 3.5Å; T240-V272 WeakPolarHBondContact O-CB 3.45Å; T240-V272 PolarHBondContact O-N 3.13Å; T240-T319 HydrophobicContact CG2-CG2 4.18Å; T240-V335 HydrophobicContact CG2-CG1 3.79Å; T240-H336 WeakPolarHBondContact CG2-O 3.4Å; T240-H336 PolarHBondContact N-O 3.13Å; T240-H336 PolarHBondContact OG1-O 3.12Å; T240-C337 WeakPolarHBondContact OG1-CA 3.35Å; T240-C337 WeakPolarHBondContact OG1-CB 3.4Å; T240-R343 WeakPolarHBondContact OG1-CB 3.17Å; T240-T347 HydrophobicContact CG2-CG2 3.99Å; T240-T347 WeakPolarHBondContact CG2-OG1 3.32Å | ||
| 241 | R | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -83.1 | 144.4 | -175.7 | -56.3 | 177 | -70 | -177.5 | -6.7 | 112.3 | D239 K243 N249 G255 F270 C337 S338 | D239-R241 PolarHBondContact O-N 2.87Å; D239-R241 VanDerWaalsContact O-N 3.09Å; D239-R241 VanDerWaalsContact OD1-CB 3.25Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 WeakPolarHBondContact OD1-CG 3.23Å; D239-R241 IonicContact OD1-CZ 3.96Å; D239-R241 PolarHBondContact OD1-N 3.07Å; D239-R241 IonicContact OD1-NE 2.88Å; D239-R241 PolarHBondContact OD1-NE 2.87Å; D239-R241 IonicContact OD1-NH2 3.61Å; D239-R241 IonicContact OD2-CZ 3.29Å; D239-R241 IonicContact OD2-NE 2.65Å; D239-R241 PolarHBondContact OD2-NE 3.35Å; D239-R241 IonicContact OD2-NH2 2.87Å; D239-R241 PolarHBondContact OD2-NH2 3.16Å; R241-K243 PolarHBondContact O-N 3.33Å; R241-N249 PolarHBondContact NH1-ND2 2.64Å; R241-G255 PolarHBondContact NH2-O 3.11Å; R241-F270 CarbonylContact C-O 3.58Å; R241-C337 HydrophobicContact CG-CB 4.45Å; R241-S338 WeakPolarHBondContact CD-OG 3.35Å |
| 242 | P | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -50.9 | 135.5 | 163.8 | -24.2 | 30.1 | 0 | 0 | 0 | 110.3 | I244 N245 A246 F270 A271 V272 | P242-I244 HydrophobicContact CB-CG2 4.23Å; P242-I244 PolarHBondContact O-N 3.45Å; P242-N245 WeakPolarHBondContact O-CA 3.42Å; P242-N245 WeakPolarHBondContact O-CB 3.32Å; P242-N245 PolarHBondContact O-N 3.02Å; P242-A246 PolarHBondContact O-N 2.84Å; P242-A246 VanDerWaalsContact O-N 3.11Å; P242-F270 WeakPolarHBondContact CA-O 3.48Å; P242-A271 HydrophobicContact CG-CB 4.38Å; P242-V272 VanDerWaalsContact CD-O 3.27Å; P242-V272 WeakPolarHBondContact CD-O 3.24Å | ||
| 243 | K | 95.8 | Very high | 95.6 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -51.1 | -38.4 | -176.7 | -169.7 | 178.2 | -175 | 176.4 | 0 | 112.6 | R241 N245 A246 M247 F269 | R241-K243 PolarHBondContact O-N 3.33Å; K243-N245 PolarHBondContact O-N 3.41Å; K243-A246 WeakPolarHBondContact O-CB 3.37Å; K243-A246 PolarHBondContact O-N 3.35Å; K243-M247 HydrophobicContact CD-CE 4.17Å; K243-M247 HydrophobicContact CG-CE 4.05Å; K243-M247 WeakPolarHBondContact O-CG 3.46Å; K243-M247 PolarHBondContact O-N 2.91Å; K243-F269 HydrophobicContact CB-CD1 4.37Å; K243-F269 HydrophobicContact CB-CG 4.24Å; K243-F269 HydrophobicContact CD-CD2 4.5Å; K243-F269 HydrophobicContact CG-CD2 4.25Å; K243-F269 HydrophobicContact CG-CE2 4.3Å; K243-F269 HydrophobicContact CG-CG 4.38Å; K243-F269 HydrophobicContact CG-CZ 4.46Å |
| 244 | I | 95.3 | Very high | 95.7 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.2 | -42.2 | 177 | -165.4 | 164.8 | 0 | 0 | 0 | 112.6 | P242 A246 M247 V248 | P242-I244 HydrophobicContact CB-CG2 4.23Å; P242-I244 PolarHBondContact O-N 3.45Å; I244-A246 VanDerWaalsContact C-N 3.32Å; I244-A246 PolarHBondContact O-N 2.93Å; I244-M247 WeakPolarHBondContact O-CB 3.38Å; I244-M247 PolarHBondContact O-N 3.39Å; I244-V248 WeakPolarHBondContact O-CG2 3.34Å; I244-V248 PolarHBondContact O-N 2.78Å |
| 245 | N | 93.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 176.9 | -69.9 | -12.7 | 0 | 0 | 0 | 110.8 | P242 K243 V248 N249 | P242-N245 WeakPolarHBondContact O-CA 3.42Å; P242-N245 WeakPolarHBondContact O-CB 3.32Å; P242-N245 PolarHBondContact O-N 3.02Å; K243-N245 PolarHBondContact O-N 3.41Å; N245-V248 PolarHBondContact O-N 2.88Å; N245-N249 PolarHBondContact O-N 2.73Å; N245-N249 VanDerWaalsContact O-N 3.12Å; N245-N249 PolarHBondContact O-ND2 3.49Å |
| 246 | A | 94.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | P242 K243 I244 N249 K250 F256 F269 | P242-A246 PolarHBondContact O-N 2.84Å; P242-A246 VanDerWaalsContact O-N 3.11Å; K243-A246 WeakPolarHBondContact O-CB 3.37Å; K243-A246 PolarHBondContact O-N 3.35Å; I244-A246 VanDerWaalsContact C-N 3.32Å; I244-A246 PolarHBondContact O-N 2.93Å; A246-N249 PolarHBondContact O-N 3.15Å; A246-K250 PolarHBondContact O-N 2.9Å; A246-F256 HydrophobicContact CB-CD1 3.92Å; A246-F256 HydrophobicContact CB-CE1 4.36Å; A246-F269 HydrophobicContact CB-CD1 4.28Å; A246-F269 HydrophobicContact CB-CE1 3.51Å; A246-F269 HydrophobicContact CB-CZ 4.32Å |
| 247 | M | 95.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.1 | -69.7 | -175.4 | -180 | 0 | 0 | 112.9 | K243 I244 N249 K250 A251 | K243-M247 HydrophobicContact CD-CE 4.17Å; K243-M247 HydrophobicContact CG-CE 4.05Å; K243-M247 WeakPolarHBondContact O-CG 3.46Å; K243-M247 PolarHBondContact O-N 2.91Å; I244-M247 WeakPolarHBondContact O-CB 3.38Å; I244-M247 PolarHBondContact O-N 3.39Å; M247-N249 VanDerWaalsContact C-N 3.34Å; M247-N249 PolarHBondContact O-N 3.28Å; M247-K250 VanDerWaalsContact O-CB 3.26Å; M247-K250 WeakPolarHBondContact O-CB 3.47Å; M247-K250 PolarHBondContact O-N 3.48Å; M247-K250 VanDerWaalsContact O-N 3.13Å; M247-A251 PolarHBondContact O-N 3.01Å; M247-A251 VanDerWaalsContact O-N 3.09Å |
| 248 | V | 94.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 42.6 Ų | 42.6 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I244 N245 K250 A251 T252 | I244-V248 WeakPolarHBondContact O-CG2 3.34Å; I244-V248 PolarHBondContact O-N 2.78Å; N245-V248 PolarHBondContact O-N 2.88Å; V248-K250 VanDerWaalsContact C-N 3.27Å; V248-K250 PolarHBondContact O-N 3.24Å; V248-A251 WeakPolarHBondContact O-CB 3.44Å; V248-A251 PolarHBondContact O-N 3.17Å; V248-A251 VanDerWaalsContact O-N 3.17Å; V248-T252 PolarHBondContact O-N 3.02Å |
| 249 | N | 93.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 174.7 | -75.1 | -60.3 | 0 | 0 | 0 | 112.4 | R241 N245 A246 M247 A251 T252 K254 | R241-N249 PolarHBondContact NH1-ND2 2.64Å; N245-N249 PolarHBondContact O-N 2.73Å; N245-N249 VanDerWaalsContact O-N 3.12Å; N245-N249 PolarHBondContact O-ND2 3.49Å; A246-N249 PolarHBondContact O-N 3.15Å; M247-N249 VanDerWaalsContact C-N 3.34Å; M247-N249 PolarHBondContact O-N 3.28Å; N249-A251 VanDerWaalsContact C-N 3.32Å; N249-A251 PolarHBondContact O-N 2.63Å; N249-T252 PolarHBondContact O-N 3.35Å; N249-T252 PolarHBondContact O-OG1 3.49Å; N249-T252 VanDerWaalsContact O-OG1 3.11Å; N249-K254 HydrophobicContact CB-CB 4.22Å; N249-K254 CarbonylContact O-C 3.49Å; N249-K254 WeakPolarHBondContact O-CA 3.34Å; N249-K254 WeakPolarHBondContact O-CB 3.31Å; N249-K254 PolarHBondContact O-N 3.38Å |
| 250 | K | 93.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 56 Ų | 56 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 174.9 | -163.6 | 175.7 | 179.4 | 166.4 | 0 | 111.8 | G210 A246 M247 V248 T252 G253 K254 F256 | G210-K250 WeakPolarHBondContact O-CE 3.32Å; G210-K250 WeakPolarHBondContact O-CG 3.47Å; A246-K250 PolarHBondContact O-N 2.9Å; M247-K250 VanDerWaalsContact O-CB 3.26Å; M247-K250 WeakPolarHBondContact O-CB 3.47Å; M247-K250 PolarHBondContact O-N 3.48Å; M247-K250 VanDerWaalsContact O-N 3.13Å; V248-K250 VanDerWaalsContact C-N 3.27Å; V248-K250 PolarHBondContact O-N 3.24Å; K250-T252 VanDerWaalsContact C-N 3.26Å; K250-T252 PolarHBondContact O-N 2.94Å; K250-G253 PolarHBondContact O-N 3.14Å; K250-K254 WeakPolarHBondContact CA-O 3.26Å; K250-F256 HydrophobicContact CD-CE1 3.92Å; K250-F256 HydrophobicContact CD-CZ 4.23Å |
| 251 | A | 93.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.9 | -25.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F211 M247 V248 N249 | F211-A251 HydrophobicContact CZ-CB 4.24Å; M247-A251 PolarHBondContact O-N 3.01Å; M247-A251 VanDerWaalsContact O-N 3.09Å; V248-A251 WeakPolarHBondContact O-CB 3.44Å; V248-A251 PolarHBondContact O-N 3.17Å; V248-A251 VanDerWaalsContact O-N 3.17Å; N249-A251 VanDerWaalsContact C-N 3.32Å; N249-A251 PolarHBondContact O-N 2.63Å |
| 252 | T | 93.5 | Very high | 93.7 | Very high | 99 Ų | 99 | 58 Ų | 58 | 61% | 0.607 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 23 | 178 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | V248 N249 K250 K254 | V248-T252 PolarHBondContact O-N 3.02Å; N249-T252 PolarHBondContact O-N 3.35Å; N249-T252 PolarHBondContact O-OG1 3.49Å; N249-T252 VanDerWaalsContact O-OG1 3.11Å; K250-T252 VanDerWaalsContact C-N 3.26Å; K250-T252 PolarHBondContact O-N 2.94Å; T252-K254 PolarHBondContact O-N 2.81Å |
| 253 | G | 91.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 3.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L208 G210 K250 | L208-G253 CarbonylContact C-O 3.56Å; G210-G253 PolarHBondContact N-O 3.25Å; K250-G253 PolarHBondContact O-N 3.14Å |
| 254 | K | 94.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | trans | -100.3 | -141.2 | 170.3 | -51.8 | -171.7 | -177.4 | -176.3 | 0 | 109.3 | Q206 P207 L208 G210 N249 K250 T252 D339 | Q206-K254 HydrophobicContact CG-CB 4.21Å; Q206-K254 HydrophobicContact CG-CD 4.45Å; Q206-K254 VanDerWaalsContact NE2-CD 3.34Å; Q206-K254 VanDerWaalsContact OE1-CB 3.25Å; P207-K254 CarbonylContact O-C 3.47Å; L208-K254 HydrophobicContact CD2-CB 4.46Å; L208-K254 HydrophobicContact CD2-CG 3.94Å; G210-K254 WeakPolarHBondContact CA-O 3.03Å; G210-K254 PolarHBondContact N-O 2.54Å; N249-K254 HydrophobicContact CB-CB 4.22Å; N249-K254 CarbonylContact O-C 3.49Å; N249-K254 WeakPolarHBondContact O-CA 3.34Å; N249-K254 WeakPolarHBondContact O-CB 3.31Å; N249-K254 PolarHBondContact O-N 3.38Å; K250-K254 WeakPolarHBondContact CA-O 3.26Å; T252-K254 PolarHBondContact O-N 2.81Å; K254-D339 IonicContact NZ-OD1 3.4Å | ||
| 255 | G | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | 133.7 | -136.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q206 P207 R241 | Q206-G255 WeakPolarHBondContact CB-O 3.3Å; Q206-G255 PolarHBondContact OE1-O 3.2Å; P207-G255 PolarHBondContact O-N 3.35Å; R241-G255 PolarHBondContact NH2-O 3.11Å | ||
| 256 | F | 94.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | trans | -150.4 | 160.1 | -173.4 | 54.2 | -88.5 | 0 | 0 | 0 | 110.3 | A246 K250 Y267 F269 | A246-F256 HydrophobicContact CB-CD1 3.92Å; A246-F256 HydrophobicContact CB-CE1 4.36Å; K250-F256 HydrophobicContact CD-CE1 3.92Å; K250-F256 HydrophobicContact CD-CZ 4.23Å; F256-Y267 HydrophobicContact CB-CE1 4.36Å; F256-Y267 HydrophobicContact CB-CE2 4.38Å; F256-Y267 WeakPolarHBondContact CB-OH 3.41Å; F256-F269 HydrophobicContact CB-CZ 4.38Å; F256-F269 HydrophobicContact CD1-CE1 4.49Å; F256-F269 HydrophobicContact CD1-CZ 4.09Å; F256-F269 AromaticContact CD2-CZ 3.82Å; F256-F269 HydrophobicContact CD2-CZ 3.82Å; F256-F269 HydrophobicContact CE1-CZ 4.28Å; F256-F269 HydrophobicContact CE2-CZ 4.04Å; F256-F269 HydrophobicContact CG-CE1 4.43Å; F256-F269 AromaticContact CG-CZ 3.86Å; F256-F269 HydrophobicContact CG-CZ 3.86Å; F256-F269 HydrophobicContact CZ-CZ 4.26Å | ||
| 257 | E | 93.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | trans | -63.2 | 141.6 | 179 | -65.2 | 86.7 | 153.6 | 0 | 0 | 111.3 | R182 P207 I237 Y262 Y267 H336 | R182-E257 IonicContact CZ-OE1 2.95Å; R182-E257 IonicContact NH1-OE1 3.4Å; R182-E257 PolarHBondContact NH1-OE1 2.93Å; R182-E257 IonicContact NH2-OE1 3.26Å; R182-E257 PolarHBondContact NH2-OE1 3.42Å; P207-E257 WeakPolarHBondContact CD-OE2 3.23Å; P207-E257 HydrophobicContact CG-CG 4.2Å; I237-E257 HydrophobicContact CD1-CB 4.11Å; I237-E257 HydrophobicContact CD1-CG 3.86Å; E257-Y262 HydrophobicContact CB-CD2 3.72Å; E257-Y262 HydrophobicContact CB-CE2 3.51Å; E257-Y262 HydrophobicContact CB-CG 4.34Å; E257-Y262 HydrophobicContact CG-CD1 4.43Å; E257-Y262 HydrophobicContact CG-CD2 4.15Å; E257-Y262 HydrophobicContact CG-CE1 3.92Å; E257-Y262 HydrophobicContact CG-CE2 3.62Å; E257-Y262 VanDerWaalsContact CG-CZ 3.48Å; E257-Y267 HydrophobicContact CB-CD2 4.24Å; E257-Y267 HydrophobicContact CB-CE2 3.87Å; E257-Y267 WeakPolarHBondContact OE2-CE2 3.48Å; E257-Y267 PolarHBondContact OE2-OH 3.05Å; E257-H336 IonicContact OE1-NE2 3.13Å; E257-H336 IonicContact OE2-CE1 3.12Å; E257-H336 IonicContact OE2-NE2 3.91Å; E257-H336 PolarHBondContact OE2-NE2 3.3Å | ||
| 258 | D | 91.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | trans | -101.1 | 117.1 | 176.2 | -171.5 | -32.2 | 0 | 0 | 0 | 109.4 | R260 N261 Y262 | D258-R260 PolarHBondContact O-N 3.42Å; D258-R260 VanDerWaalsContact OD1-CB 3.31Å; D258-R260 WeakPolarHBondContact OD1-CB 3.44Å; D258-R260 WeakPolarHBondContact OD1-CG 3.32Å; D258-R260 IonicContact OD1-CZ 2.82Å; D258-R260 PolarHBondContact OD1-N 3.01Å; D258-R260 IonicContact OD1-NE 3.56Å; D258-R260 PolarHBondContact OD1-NE 2.89Å; D258-R260 IonicContact OD1-NH2 2.87Å; D258-R260 IonicContact OD2-CZ 3.55Å; D258-R260 VanDerWaalsContact OD2-CZ 3.29Å; D258-R260 IonicContact OD2-NE 3.75Å; D258-R260 PolarHBondContact OD2-NE 3.13Å; D258-R260 VanDerWaalsContact OD2-NE 3.14Å; D258-R260 IonicContact OD2-NH2 3.72Å; D258-R260 PolarHBondContact OD2-NH2 3.47Å; D258-N261 PolarHBondContact O-N 3.25Å; D258-Y262 WeakPolarHBondContact O-CD2 3.5Å; D258-Y262 PolarHBondContact O-N 3.24Å | ||
| 259 | E | 90.4 | Very high | 93.7 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.8 | -178.2 | -68.4 | -169.4 | 171.1 | 0 | 0 | 113.3 | N261 R266 Y267 | E259-N261 PolarHBondContact O-N 3.44Å; E259-R266 WeakPolarHBondContact OE1-CA 3.5Å; E259-R266 IonicContact OE2-NH1 3.31Å; E259-Y267 WeakPolarHBondContact OE1-CB 3.46Å; E259-Y267 PolarHBondContact OE1-N 2.61Å |
| 260 | R | 91.7 | Very high | 93.9 | Very high | 203 Ų | 203 | 60.2 Ų | 60.2 | 77% | 0.766 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.8 | 175.9 | -60.1 | 176.4 | -67.6 | 173.7 | 2.4 | 113.4 | D258 | D258-R260 PolarHBondContact O-N 3.42Å; D258-R260 VanDerWaalsContact OD1-CB 3.31Å; D258-R260 WeakPolarHBondContact OD1-CB 3.44Å; D258-R260 WeakPolarHBondContact OD1-CG 3.32Å; D258-R260 IonicContact OD1-CZ 2.82Å; D258-R260 PolarHBondContact OD1-N 3.01Å; D258-R260 IonicContact OD1-NE 3.56Å; D258-R260 PolarHBondContact OD1-NE 2.89Å; D258-R260 IonicContact OD1-NH2 2.87Å; D258-R260 IonicContact OD2-CZ 3.55Å; D258-R260 VanDerWaalsContact OD2-CZ 3.29Å; D258-R260 IonicContact OD2-NE 3.75Å; D258-R260 PolarHBondContact OD2-NE 3.13Å; D258-R260 VanDerWaalsContact OD2-NE 3.14Å; D258-R260 IonicContact OD2-NH2 3.72Å; D258-R260 PolarHBondContact OD2-NH2 3.47Å |
| 261 | N | 93.2 | Very high | 94 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 17% | 0.171 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -26.6 | -178.8 | -62.8 | -30.3 | 0 | 0 | 0 | 112.2 | R214 D258 E259 | R214-N261 PolarHBondContact NE-OD1 3Å; R214-N261 PolarHBondContact NH1-OD1 3.11Å; D258-N261 PolarHBondContact O-N 3.25Å; E259-N261 PolarHBondContact O-N 3.44Å |
| 262 | Y | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -103.8 | 94.8 | -178.3 | -65.7 | -99.7 | 0 | 0 | 0 | 110.6 | D218 E219 M222 E257 D258 V265 | D218-Y262 PolarHBondContact OD2-OH 3.3Å; E219-Y262 HydrophobicContact CB-CD1 4.41Å; E219-Y262 HydrophobicContact CB-CE1 4.29Å; E219-Y262 HydrophobicContact CG-CD1 4.14Å; E219-Y262 HydrophobicContact CG-CD2 4.47Å; E219-Y262 HydrophobicContact CG-CE1 3.86Å; E219-Y262 HydrophobicContact CG-CE2 4.2Å; E219-Y262 HydrophobicContact CG-CG 4.45Å; M222-Y262 HydrophobicContact CB-CD1 4.04Å; M222-Y262 HydrophobicContact CB-CE1 4.44Å; M222-Y262 HydrophobicContact CG-CD1 3.75Å; M222-Y262 HydrophobicContact CG-CE1 3.76Å; E257-Y262 HydrophobicContact CB-CD2 3.72Å; E257-Y262 HydrophobicContact CB-CE2 3.51Å; E257-Y262 HydrophobicContact CB-CG 4.34Å; E257-Y262 HydrophobicContact CG-CD1 4.43Å; E257-Y262 HydrophobicContact CG-CD2 4.15Å; E257-Y262 HydrophobicContact CG-CE1 3.92Å; E257-Y262 HydrophobicContact CG-CE2 3.62Å; E257-Y262 VanDerWaalsContact CG-CZ 3.48Å; D258-Y262 WeakPolarHBondContact O-CD2 3.5Å; D258-Y262 PolarHBondContact O-N 3.24Å; Y262-V265 WeakPolarHBondContact O-CB 3.48Å; Y262-V265 PolarHBondContact O-N 2.86Å |
| 263 | N | 90.4 | Very high | 94.4 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 138.7 | -179.9 | -65.1 | -16.6 | 0 | 0 | 0 | 112.1 | V265 | N263-V265 PolarHBondContact O-N 3.43Š|
| 264 | N | 93.7 | Very high | 94.7 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.5 | 177.7 | -56.1 | -30.7 | 0 | 0 | 0 | 113.8 | T234 L235 | T234-N264 CarbonylContact C-O 3.48Å; T234-N264 VanDerWaalsContact CA-O 3.29Å; T234-N264 WeakPolarHBondContact CA-O 3.28Å; L235-N264 PolarHBondContact N-O 2.79Å |
| 265 | V | 95.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.2 | 174.2 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L235 I237 Y262 N263 | L235-V265 HydrophobicContact CB-CG2 4.17Å; L235-V265 HydrophobicContact CD2-CG2 4.22Å; L235-V265 CarbonylContact O-C 3.54Å; L235-V265 VanDerWaalsContact O-CA 3.24Å; L235-V265 WeakPolarHBondContact O-CA 3.3Å; I237-V265 HydrophobicContact CB-CG1 4.25Å; I237-V265 HydrophobicContact CD1-CG1 3.55Å; I237-V265 HydrophobicContact CD1-CG2 4.46Å; I237-V265 HydrophobicContact CG1-CG1 3.6Å; Y262-V265 WeakPolarHBondContact O-CB 3.48Å; Y262-V265 PolarHBondContact O-N 2.86Å; N263-V265 PolarHBondContact O-N 3.43Å |
| 266 | R | 96.1 | Very high | 95 | Very high | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.2 | 166.1 | -68.2 | -67.5 | -172.5 | -176.8 | 2 | 110.5 | T234 L235 F236 I237 E259 | T234-R266 HydrophobicContact CG2-CB 4.05Å; T234-R266 HydrophobicContact CG2-CG 3.54Å; L235-R266 PolarHBondContact O-N 3.16Å; F236-R266 CarbonylContact C-O 3.53Å; F236-R266 WeakPolarHBondContact CA-O 3.19Å; F236-R266 HydrophobicContact CD1-CB 3.75Å; F236-R266 HydrophobicContact CD1-CG 4.49Å; F236-R266 HydrophobicContact CE1-CB 3.85Å; F236-R266 HydrophobicContact CE1-CG 4.2Å; I237-R266 PolarHBondContact N-O 2.83Å; E259-R266 WeakPolarHBondContact OE1-CA 3.5Å; E259-R266 IonicContact OE2-NH1 3.31Å |
| 267 | Y | 94 | Very high | 95.2 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.1 | -172.3 | -153 | -84.1 | 0 | 0 | 0 | 111.6 | I237 D239 F256 E257 E259 F269 H336 | I237-Y267 HydrophobicContact CB-CD2 3.69Å; I237-Y267 HydrophobicContact CB-CE2 3.86Å; I237-Y267 HydrophobicContact CD1-CD2 4.49Å; I237-Y267 HydrophobicContact CG2-CD2 3.75Å; I237-Y267 HydrophobicContact CG2-CE2 3.34Å; I237-Y267 WeakPolarHBondContact O-CA 3.31Å; D239-Y267 HydrophobicContact CB-CE1 3.5Å; D239-Y267 VanDerWaalsContact CB-CE1 3.5Å; D239-Y267 VanDerWaalsContact CB-OH 3.24Å; D239-Y267 WeakPolarHBondContact CB-OH 3.49Å; D239-Y267 PolarHBondContact OD2-OH 2.83Å; F256-Y267 HydrophobicContact CB-CE1 4.36Å; F256-Y267 HydrophobicContact CB-CE2 4.38Å; F256-Y267 WeakPolarHBondContact CB-OH 3.41Å; E257-Y267 HydrophobicContact CB-CD2 4.24Å; E257-Y267 HydrophobicContact CB-CE2 3.87Å; E257-Y267 WeakPolarHBondContact OE2-CE2 3.48Å; E257-Y267 PolarHBondContact OE2-OH 3.05Å; E259-Y267 WeakPolarHBondContact OE1-CB 3.46Å; E259-Y267 PolarHBondContact OE1-N 2.61Å; Y267-F269 AromaticContact CD1-CD2 3.83Å; Y267-F269 HydrophobicContact CD1-CD2 3.83Å; Y267-F269 HydrophobicContact CD1-CE1 4.39Å; Y267-F269 AromaticContact CD1-CE2 3.46Å; Y267-F269 HydrophobicContact CD1-CE2 3.46Å; Y267-F269 VanDerWaalsContact CD1-CE2 3.46Å; Y267-F269 HydrophobicContact CD1-CG 4.45Å; Y267-F269 AromaticContact CD1-CZ 3.78Å; Y267-F269 HydrophobicContact CD1-CZ 3.78Å; Y267-F269 HydrophobicContact CE1-CD1 4.04Å; Y267-F269 AromaticContact CE1-CD2 3.95Å; Y267-F269 HydrophobicContact CE1-CD2 3.95Å; Y267-F269 AromaticContact CE1-CE1 3.56Å; Y267-F269 HydrophobicContact CE1-CE1 3.56Å; Y267-F269 AromaticContact CE1-CE2 3.47Å; Y267-F269 HydrophobicContact CE1-CE2 3.47Å; Y267-F269 VanDerWaalsContact CE1-CE2 3.47Å; Y267-F269 HydrophobicContact CE1-CG 4.23Å; Y267-F269 AromaticContact CE1-CZ 3.26Å; Y267-F269 HydrophobicContact CE1-CZ 3.26Å; Y267-H336 AromaticContact CZ-NE2 3.88Å; Y267-H336 PolarHBondContact OH-CE1 3Å; Y267-H336 PolarHBondContact OH-NE2 3.45Å |
| 268 | H | 97.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.1 | -178.9 | -63.5 | -90.7 | 0 | 0 | 0 | 110.4 | F236 I237 V238 D239 F270 F322 | F236-H268 AromaticContact CD2-NE2 3.95Å; F236-H268 AromaticContact CE2-NE2 3.97Å; I237-H268 PolarHBondContact O-N 3.4Å; V238-H268 WeakPolarHBondContact CA-O 3.24Å; V238-H268 HydrophobicContact CG2-CB 4.38Å; D239-H268 PolarHBondContact N-O 2.87Å; H268-F270 HydrophobicContact CB-CE2 3.86Å; H268-F322 HydrophobicContact CB-CE1 4.12Å; H268-F322 HydrophobicContact CB-CZ 4.2Å; H268-F322 AromaticContact CD2-CZ 3.75Å; H268-F322 AromaticContact CE1-CZ 3.65Å; H268-F322 AromaticContact CG-CE1 3.9Å; H268-F322 AromaticContact CG-CZ 3.55Å; H268-F322 AromaticContact ND1-CZ 3.48Å; H268-F322 WeakPolarHBondContact ND1-CZ 3.23Å; H268-F322 AromaticContact NE2-CZ 3.82Å |
| 269 | F | 97.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.4 | 173 | -72.6 | -82.7 | 0 | 0 | 0 | 110.5 | D239 K243 A246 F256 Y267 | D239-F269 HydrophobicContact CB-CD1 3.74Å; D239-F269 HydrophobicContact CB-CE1 3.89Å; D239-F269 CarbonylContact O-C 3.52Å; D239-F269 WeakPolarHBondContact O-CA 3.37Å; D239-F269 WeakPolarHBondContact OD2-CE1 3.49Å; K243-F269 HydrophobicContact CB-CD1 4.37Å; K243-F269 HydrophobicContact CB-CG 4.24Å; K243-F269 HydrophobicContact CD-CD2 4.5Å; K243-F269 HydrophobicContact CG-CD2 4.25Å; K243-F269 HydrophobicContact CG-CE2 4.3Å; K243-F269 HydrophobicContact CG-CG 4.38Å; K243-F269 HydrophobicContact CG-CZ 4.46Å; A246-F269 HydrophobicContact CB-CD1 4.28Å; A246-F269 HydrophobicContact CB-CE1 3.51Å; A246-F269 HydrophobicContact CB-CZ 4.32Å; F256-F269 HydrophobicContact CB-CZ 4.38Å; F256-F269 HydrophobicContact CD1-CE1 4.49Å; F256-F269 HydrophobicContact CD1-CZ 4.09Å; F256-F269 AromaticContact CD2-CZ 3.82Å; F256-F269 HydrophobicContact CD2-CZ 3.82Å; F256-F269 HydrophobicContact CE1-CZ 4.28Å; F256-F269 HydrophobicContact CE2-CZ 4.04Å; F256-F269 HydrophobicContact CG-CE1 4.43Å; F256-F269 AromaticContact CG-CZ 3.86Å; F256-F269 HydrophobicContact CG-CZ 3.86Å; F256-F269 HydrophobicContact CZ-CZ 4.26Å; Y267-F269 AromaticContact CD1-CD2 3.83Å; Y267-F269 HydrophobicContact CD1-CD2 3.83Å; Y267-F269 HydrophobicContact CD1-CE1 4.39Å; Y267-F269 AromaticContact CD1-CE2 3.46Å; Y267-F269 HydrophobicContact CD1-CE2 3.46Å; Y267-F269 VanDerWaalsContact CD1-CE2 3.46Å; Y267-F269 HydrophobicContact CD1-CG 4.45Å; Y267-F269 AromaticContact CD1-CZ 3.78Å; Y267-F269 HydrophobicContact CD1-CZ 3.78Å; Y267-F269 HydrophobicContact CE1-CD1 4.04Å; Y267-F269 AromaticContact CE1-CD2 3.95Å; Y267-F269 HydrophobicContact CE1-CD2 3.95Å; Y267-F269 AromaticContact CE1-CE1 3.56Å; Y267-F269 HydrophobicContact CE1-CE1 3.56Å; Y267-F269 AromaticContact CE1-CE2 3.47Å; Y267-F269 HydrophobicContact CE1-CE2 3.47Å; Y267-F269 VanDerWaalsContact CE1-CE2 3.47Å; Y267-F269 HydrophobicContact CE1-CG 4.23Å; Y267-F269 AromaticContact CE1-CZ 3.26Å; Y267-F269 HydrophobicContact CE1-CZ 3.26Å |
| 270 | F | 97.1 | Very high | 96 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | trans | -119.6 | 165.8 | 171.3 | -71.3 | -93.6 | 0 | 0 | 0 | 110.8 | V238 D239 T240 R241 P242 H268 T319 F322 | V238-F270 HydrophobicContact CG1-CD2 3.7Å; V238-F270 HydrophobicContact CG1-CE2 3.83Å; V238-F270 HydrophobicContact CG2-CE2 4.38Å; D239-F270 PolarHBondContact O-N 3.08Å; T240-F270 CarbonylContact C-O 3.58Å; T240-F270 CarbonylContact O-C 3.55Å; T240-F270 VanDerWaalsContact O-O 3.1Å; R241-F270 CarbonylContact C-O 3.58Å; P242-F270 WeakPolarHBondContact CA-O 3.48Å; H268-F270 HydrophobicContact CB-CE2 3.86Å; F270-T319 HydrophobicContact CB-CG2 3.99Å; F270-T319 VanDerWaalsContact CB-OG1 3.28Å; F270-T319 WeakPolarHBondContact CB-OG1 3.37Å; F270-T319 HydrophobicContact CD1-CG2 4.04Å; F270-T319 VanDerWaalsContact CD1-OG1 3.31Å; F270-T319 WeakPolarHBondContact CD1-OG1 3.08Å; F270-T319 HydrophobicContact CD2-CG2 3.86Å; F270-T319 HydrophobicContact CE2-CG2 4.41Å; F270-T319 HydrophobicContact CG-CG2 3.67Å; F270-T319 WeakPolarHBondContact CG-OG1 3.44Å; F270-F322 HydrophobicContact CE1-CB 3.93Å; F270-F322 HydrophobicContact CE1-CG 4.18Å; F270-F322 AromaticContact CE2-CD1 3.7Å; F270-F322 HydrophobicContact CE2-CD1 3.7Å; F270-F322 HydrophobicContact CE2-CE1 4.1Å; F270-F322 HydrophobicContact CE2-CG 4.14Å; F270-F322 HydrophobicContact CZ-CB 3.56Å; F270-F322 AromaticContact CZ-CD1 3.41Å; F270-F322 HydrophobicContact CZ-CD1 3.41Å; F270-F322 VanDerWaalsContact CZ-CD1 3.41Å; F270-F322 AromaticContact CZ-CD2 3.95Å; F270-F322 HydrophobicContact CZ-CD2 3.95Å; F270-F322 HydrophobicContact CZ-CE1 4.06Å; F270-F322 AromaticContact CZ-CG 3.35Å; F270-F322 HydrophobicContact CZ-CG 3.35Å | ||
| 271 | A | 95.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | trans | -105.4 | 53.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | P242 S315 | P242-A271 HydrophobicContact CG-CB 4.38Å; A271-S315 PolarHBondContact O-OG 3.3Å | ||
| 272 | V | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -86.3 | 112.8 | 172.4 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | T240 P242 L316 T319 R343 T347 | T240-V272 WeakPolarHBondContact O-CA 3.5Å; T240-V272 WeakPolarHBondContact O-CB 3.45Å; T240-V272 PolarHBondContact O-N 3.13Å; P242-V272 VanDerWaalsContact CD-O 3.27Å; P242-V272 WeakPolarHBondContact CD-O 3.24Å; V272-L316 HydrophobicContact CB-CD2 4.42Å; V272-L316 HydrophobicContact CG1-CD2 3.38Å; V272-L316 HydrophobicContact CG1-CG 4.31Å; V272-L316 HydrophobicContact CG2-CD2 4.11Å; V272-T319 WeakPolarHBondContact CG2-OG1 3.46Å; V272-R343 HydrophobicContact CB-CB 4.43Å; V272-R343 HydrophobicContact CB-CG 4.11Å; V272-R343 HydrophobicContact CG1-CB 4.07Å; V272-R343 HydrophobicContact CG1-CG 3.55Å; V272-R343 WeakPolarHBondContact O-CD 3.48Å; V272-R343 PolarHBondContact O-NH1 3.32Å; V272-T347 HydrophobicContact CG2-CG2 4.28Å | ||
| 273 | E | 98 | Very high | 96.5 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | trans | -68.3 | 158.7 | -172.2 | -75.7 | -54.3 | 157.1 | 0 | 0 | 114.2 | A277 V278 H312 R343 | E273-A277 HydrophobicContact CB-CB 3.81Å; E273-A277 HydrophobicContact CG-CB 4.16Å; E273-V278 HydrophobicContact CB-CG2 4.16Å; E273-H312 WeakPolarHBondContact CG-CE1 3.44Å; E273-R343 WeakPolarHBondContact O-CD 3.27Å | ||
| 274 | N | 97.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | trans | -75.7 | 171.3 | 178.7 | 68.4 | 39.4 | 0 | 0 | 0 | 112.5 | H276 A277 V278 | N274-H276 PolarHBondContact O-N 3.42Å; N274-H276 PolarHBondContact OD1-N 3.47Å; N274-H276 VanDerWaalsContact OD1-N 3.09Å; N274-A277 PolarHBondContact O-N 2.8Å; N274-A277 PolarHBondContact OD1-N 3.07Å; N274-V278 WeakPolarHBondContact O-CG2 3.4Å; N274-V278 PolarHBondContact O-N 2.65Å | ||
| 275 | I | 97.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.5 | -35.4 | -176.3 | 69.2 | 173.8 | 0 | 0 | 0 | 113.2 | R279 D342 A396 I398 | I275-R279 WeakPolarHBondContact O-CB 3.4Å; I275-R279 PolarHBondContact O-N 3.36Å; I275-D342 HydrophobicContact CG2-CB 4.4Å; I275-D342 WeakPolarHBondContact CG2-OD2 3.31Å; I275-A396 HydrophobicContact CB-CB 3.59Å; I275-A396 HydrophobicContact CG2-CB 4.27Å; I275-A396 WeakPolarHBondContact O-CB 3.37Å; I275-I398 HydrophobicContact CB-CD1 4.45Å; I275-I398 HydrophobicContact CG2-CD1 3.98Å; I275-I398 HydrophobicContact CG2-CG1 4.14Å |
| 276 | H | 96.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.375 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.4 | -46 | -178.1 | -51 | -49.9 | 0 | 0 | 0 | 111.4 | N274 R279 T280 K393 | N274-H276 PolarHBondContact O-N 3.42Å; N274-H276 PolarHBondContact OD1-N 3.47Å; N274-H276 VanDerWaalsContact OD1-N 3.09Å; H276-R279 PolarHBondContact O-N 3.14Å; H276-T280 PolarHBondContact O-N 2.95Å; H276-T280 PolarHBondContact O-OG1 2.86Å; H276-K393 PolarHBondContact CE1-O 3.07Å; H276-K393 PolarHBondContact ND1-O 3.12Å |
| 277 | A | 97.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 26% | 0.256 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E273 N274 T280 S281 | E273-A277 HydrophobicContact CB-CB 3.81Å; E273-A277 HydrophobicContact CG-CB 4.16Å; N274-A277 PolarHBondContact O-N 2.8Å; N274-A277 PolarHBondContact OD1-N 3.07Å; A277-T280 PolarHBondContact O-N 2.85Å; A277-S281 WeakPolarHBondContact O-CB 3.32Å; A277-S281 PolarHBondContact O-N 2.98Å |
| 278 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | E273 N274 S281 L282 W309 P397 I398 | E273-V278 HydrophobicContact CB-CG2 4.16Å; N274-V278 WeakPolarHBondContact O-CG2 3.4Å; N274-V278 PolarHBondContact O-N 2.65Å; V278-S281 WeakPolarHBondContact O-CB 3.24Å; V278-S281 PolarHBondContact O-N 3.45Å; V278-L282 PolarHBondContact O-N 2.81Å; V278-W309 HydrophobicContact CG1-CH2 4.35Å; V278-W309 HydrophobicContact CG1-CZ3 3.83Å; V278-P397 HydrophobicContact CG1-CG 3.92Å; V278-I398 HydrophobicContact CB-CD1 4.37Å; V278-I398 HydrophobicContact CG1-CD1 4.24Å |
| 279 | R | 96.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 174.4 | 174 | 179.6 | 56.2 | -153.5 | 12.8 | 111.8 | I275 H276 S281 L282 Q283 S392 K393 V395 A396 | I275-R279 WeakPolarHBondContact O-CB 3.4Å; I275-R279 PolarHBondContact O-N 3.36Å; H276-R279 PolarHBondContact O-N 3.14Å; R279-S281 VanDerWaalsContact C-N 3.28Å; R279-S281 PolarHBondContact O-N 2.94Å; R279-L282 PolarHBondContact O-N 2.87Å; R279-Q283 PolarHBondContact O-N 3.1Å; R279-S392 PolarHBondContact NH1-O 3.28Å; R279-K393 PolarHBondContact NH1-O 3.45Å; R279-K393 VanDerWaalsContact NH1-O 3.08Å; R279-V395 VanDerWaalsContact CD-O 3.31Å; R279-V395 WeakPolarHBondContact CD-O 2.9Å; R279-V395 PolarHBondContact NH1-O 3.44Å; R279-A396 HydrophobicContact CB-CB 4.44Å |
| 280 | T | 97.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 179 | -64 | 0 | 0 | 0 | 0 | 111.4 | H276 A277 Q283 K284 | H276-T280 PolarHBondContact O-N 2.95Å; H276-T280 PolarHBondContact O-OG1 2.86Å; A277-T280 PolarHBondContact O-N 2.85Å; T280-Q283 PolarHBondContact O-N 2.8Å; T280-K284 HydrophobicContact CG2-CD 4.26Å; T280-K284 WeakPolarHBondContact O-CG 3.5Å; T280-K284 PolarHBondContact O-N 3.04Å |
| 281 | S | 98.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | A277 V278 R279 K284 M285 S307 W309 H312 | A277-S281 WeakPolarHBondContact O-CB 3.32Å; A277-S281 PolarHBondContact O-N 2.98Å; V278-S281 WeakPolarHBondContact O-CB 3.24Å; V278-S281 PolarHBondContact O-N 3.45Å; R279-S281 VanDerWaalsContact C-N 3.28Å; R279-S281 PolarHBondContact O-N 2.94Å; S281-K284 PolarHBondContact O-N 2.96Å; S281-M285 WeakPolarHBondContact O-CB 3.32Å; S281-M285 PolarHBondContact O-N 3.45Å; S281-S307 VanDerWaalsContact CA-O 3.28Å; S281-S307 WeakPolarHBondContact CA-O 3.28Å; S281-S307 WeakPolarHBondContact CB-O 3.48Å; S281-S307 PolarHBondContact OG-O 2.74Å; S281-W309 WeakPolarHBondContact OG-CA 3.48Å; S281-W309 PolarHBondContact OG-N 2.93Å; S281-W309 VanDerWaalsContact OG-N 3.11Å; S281-H312 PolarHBondContact OG-CD2 3.12Å; S281-H312 VanDerWaalsContact OG-CD2 3.24Å |
| 282 | L | 96.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.8 | -178.6 | 62.8 | 0 | 0 | 0 | 111.1 | F76 V278 R279 K284 M285 L286 W309 P397 Y504 | F76-L282 HydrophobicContact CE1-CD1 4.34Å; F76-L282 HydrophobicContact CE1-CD2 3.85Å; F76-L282 HydrophobicContact CE1-CG 4.43Å; F76-L282 HydrophobicContact CZ-CD1 4.34Å; F76-L282 HydrophobicContact CZ-CD2 4Å; V278-L282 PolarHBondContact O-N 2.81Å; R279-L282 PolarHBondContact O-N 2.87Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.05Å; L282-M285 HydrophobicContact CD1-CE 3.61Å; L282-M285 WeakPolarHBondContact O-CB 3.45Å; L282-M285 PolarHBondContact O-N 3.26Å; L282-M285 VanDerWaalsContact O-N 3.09Å; L282-L286 HydrophobicContact CD1-CD1 4.23Å; L282-L286 HydrophobicContact CD1-CD2 4.4Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CD2-CD1 4.47Å; L282-L286 HydrophobicContact CG-CD1 3.92Å; L282-L286 HydrophobicContact CG-CG 4.23Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.31Å; L282-W309 HydrophobicContact CB-CE3 3.89Å; L282-W309 HydrophobicContact CB-CH2 4.26Å; L282-W309 HydrophobicContact CB-CZ3 3.61Å; L282-W309 HydrophobicContact CD1-CD2 4.31Å; L282-W309 HydrophobicContact CD1-CE3 4.24Å; L282-W309 HydrophobicContact CD1-CH2 4.06Å; L282-W309 HydrophobicContact CD1-CZ2 4.16Å; L282-W309 HydrophobicContact CD1-CZ3 4.11Å; L282-W309 HydrophobicContact CG-CZ3 4.35Å; L282-P397 HydrophobicContact CB-CG 4.03Å; L282-P397 HydrophobicContact CD2-CB 3.47Å; L282-P397 VanDerWaalsContact CD2-CB 3.47Å; L282-P397 HydrophobicContact CD2-CG 3.44Å; L282-P397 VanDerWaalsContact CD2-CG 3.44Å; L282-P397 HydrophobicContact CG-CG 4.36Å; L282-Y504 HydrophobicContact CD1-CD1 4.45Å; L282-Y504 HydrophobicContact CD1-CE1 3.73Å |
| 283 | Q | 94.4 | Very high | 91.1 | Very high | 97 Ų | 97 | 52.6 Ų | 52.6 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | -179.8 | -174.4 | 61.3 | 55.3 | 0 | 0 | 111.5 | R279 T280 M285 L286 D287 | R279-Q283 PolarHBondContact O-N 3.1Å; T280-Q283 PolarHBondContact O-N 2.8Å; Q283-M285 VanDerWaalsContact C-N 3.28Å; Q283-M285 PolarHBondContact O-N 2.91Å; Q283-L286 PolarHBondContact O-N 3.47Å; Q283-D287 PolarHBondContact NE2-OD1 3.45Å; Q283-D287 PolarHBondContact O-N 2.88Å |
| 284 | K | 96.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 176.8 | -74.2 | 177.2 | 175.7 | -176.4 | 0 | 112.7 | T280 S281 L282 V288 | T280-K284 HydrophobicContact CG2-CD 4.26Å; T280-K284 WeakPolarHBondContact O-CG 3.5Å; T280-K284 PolarHBondContact O-N 3.04Å; S281-K284 PolarHBondContact O-N 2.96Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.05Å; K284-V288 VanDerWaalsContact O-CG2 3.28Å; K284-V288 WeakPolarHBondContact O-CG2 3.12Å; K284-V288 PolarHBondContact O-N 3.44Å |
| 285 | M | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 177.8 | -173.5 | -77.8 | -63.1 | 0 | 0 | 110.5 | S281 L282 Q283 D287 V288 V289 M304 W309 L499 Y504 | S281-M285 WeakPolarHBondContact O-CB 3.32Å; S281-M285 PolarHBondContact O-N 3.45Å; L282-M285 HydrophobicContact CD1-CE 3.61Å; L282-M285 WeakPolarHBondContact O-CB 3.45Å; L282-M285 PolarHBondContact O-N 3.26Å; L282-M285 VanDerWaalsContact O-N 3.09Å; Q283-M285 VanDerWaalsContact C-N 3.28Å; Q283-M285 PolarHBondContact O-N 2.91Å; M285-D287 PolarHBondContact O-N 2.95Å; M285-V288 PolarHBondContact O-N 3.01Å; M285-V288 VanDerWaalsContact O-N 3.14Å; M285-V289 WeakPolarHBondContact O-CG2 3.4Å; M285-V289 PolarHBondContact O-N 2.91Å; M285-V289 HydrophobicContact SD-CB 4.29Å; M285-V289 HydrophobicContact SD-CG2 3.44Å; M285-V289 WeakPolarHBondContact SD-CG2 3.49Å; M285-M304 HydrophobicContact CG-CE 3.95Å; M285-M304 HydrophobicContact CG-SD 3.91Å; M285-W309 HydrophobicContact CB-CB 3.93Å; M285-W309 HydrophobicContact CB-CG 4.37Å; M285-W309 HydrophobicContact CG-CB 3.92Å; M285-W309 HydrophobicContact CG-CG 4.18Å; M285-L499 HydrophobicContact CE-CD1 4.42Å; M285-L499 HydrophobicContact SD-CD1 3.65Å; M285-Y504 HydrophobicContact CE-CD1 3.53Å; M285-Y504 HydrophobicContact CE-CD2 3.79Å; M285-Y504 HydrophobicContact CE-CE1 3.67Å; M285-Y504 HydrophobicContact CE-CE2 3.92Å; M285-Y504 HydrophobicContact CE-CG 3.6Å; M285-Y504 HydrophobicContact SD-CD2 4.49Å; M285-Y504 HydrophobicContact SD-CG 4.42Å |
| 286 | L | 91.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 176.6 | -63.9 | 174.8 | 0 | 0 | 0 | 112.2 | F76 L282 Q283 V288 V289 W290 Y504 | F76-L286 HydrophobicContact CD1-CD1 3.61Å; F76-L286 HydrophobicContact CD1-CD2 3.79Å; F76-L286 HydrophobicContact CD1-CG 4.35Å; F76-L286 HydrophobicContact CE1-CD1 3.72Å; F76-L286 HydrophobicContact CE1-CD2 4.22Å; F76-L286 HydrophobicContact CG-CD2 4.27Å; L282-L286 HydrophobicContact CD1-CD1 4.23Å; L282-L286 HydrophobicContact CD1-CD2 4.4Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CD2-CD1 4.47Å; L282-L286 HydrophobicContact CG-CD1 3.92Å; L282-L286 HydrophobicContact CG-CG 4.23Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.31Å; Q283-L286 PolarHBondContact O-N 3.47Å; L286-V288 PolarHBondContact O-N 3.09Å; L286-V289 PolarHBondContact O-N 3.21Å; L286-W290 HydrophobicContact CB-CD2 4.21Å; L286-W290 HydrophobicContact CB-CE3 3.98Å; L286-W290 HydrophobicContact CB-CH2 4.08Å; L286-W290 HydrophobicContact CB-CZ2 4.26Å; L286-W290 HydrophobicContact CB-CZ3 3.92Å; L286-W290 HydrophobicContact CD1-CH2 3.75Å; L286-W290 HydrophobicContact CD1-CZ2 4.22Å; L286-W290 HydrophobicContact CD1-CZ3 4.19Å; L286-W290 HydrophobicContact CD2-CH2 4.02Å; L286-W290 HydrophobicContact CD2-CZ2 3.6Å; L286-W290 HydrophobicContact CG-CH2 4.15Å; L286-W290 HydrophobicContact CG-CZ2 4.22Å; L286-W290 HydrophobicContact CG-CZ3 4.47Å; L286-W290 WeakPolarHBondContact O-CB 3.34Å; L286-W290 PolarHBondContact O-N 2.83Å; L286-Y504 HydrophobicContact CD2-CD1 3.87Å |
| 287 | D | 89.7 | Confident | 88.4 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -33.8 | 175.9 | -65.5 | -20.6 | 0 | 0 | 0 | 111.7 | Q283 M285 A291 | Q283-D287 PolarHBondContact NE2-OD1 3.45Å; Q283-D287 PolarHBondContact O-N 2.88Å; M285-D287 PolarHBondContact O-N 2.95Å; D287-A291 VanDerWaalsContact O-CB 3.22Å; D287-A291 WeakPolarHBondContact O-CB 3.4Å; D287-A291 PolarHBondContact O-N 3.3Å; D287-A291 VanDerWaalsContact O-N 3.12Å |
| 288 | V | 90 | Very high | 88.2 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.3 | -44.1 | 177.6 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | K284 M285 L286 W290 A291 F300 M304 | K284-V288 VanDerWaalsContact O-CG2 3.28Å; K284-V288 WeakPolarHBondContact O-CG2 3.12Å; K284-V288 PolarHBondContact O-N 3.44Å; M285-V288 PolarHBondContact O-N 3.01Å; M285-V288 VanDerWaalsContact O-N 3.14Å; L286-V288 PolarHBondContact O-N 3.09Å; V288-W290 VanDerWaalsContact C-N 3.32Å; V288-W290 PolarHBondContact O-N 2.93Å; V288-A291 WeakPolarHBondContact O-CB 3.25Å; V288-A291 PolarHBondContact O-N 2.94Å; V288-F300 HydrophobicContact CG1-CD2 3.65Å; V288-F300 HydrophobicContact CG1-CE2 4.05Å; V288-F300 HydrophobicContact CG1-CG 4.37Å; V288-M304 HydrophobicContact CG1-CG 4.23Å; V288-M304 HydrophobicContact CG1-SD 4.39Å |
| 289 | V | 86.8 | Confident | 88 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.7 | -33.7 | -178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | M285 L286 F300 M304 L499 N505 | M285-V289 WeakPolarHBondContact O-CG2 3.4Å; M285-V289 PolarHBondContact O-N 2.91Å; M285-V289 HydrophobicContact SD-CB 4.29Å; M285-V289 HydrophobicContact SD-CG2 3.44Å; M285-V289 WeakPolarHBondContact SD-CG2 3.49Å; L286-V289 PolarHBondContact O-N 3.21Å; V289-F300 HydrophobicContact CG2-CE2 4.45Å; V289-M304 HydrophobicContact CG2-SD 4.19Å; V289-L499 HydrophobicContact CG2-CD1 4.36Å; V289-L499 HydrophobicContact CG2-CD2 3.77Å; V289-N505 VanDerWaalsContact CG1-ND2 3.29Å; V289-N505 WeakPolarHBondContact CG1-ND2 3.47Å; V289-N505 WeakPolarHBondContact CG1-OD1 3.3Å |
| 290 | W | 82.4 | Confident | 87.8 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 29% | 0.292 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 3.2 | 176.8 | -53.9 | -25.2 | 0 | 0 | 0 | 113.4 | F76 L286 V288 K292 Y504 | F76-W290 VanDerWaalsContact CA-CZ2 3.48Å; F76-W290 HydrophobicContact CB-CH2 4.23Å; F76-W290 HydrophobicContact CB-CZ2 3.59Å; F76-W290 HydrophobicContact CD1-CH2 4.26Å; F76-W290 HydrophobicContact CD1-CZ2 4.2Å; F76-W290 HydrophobicContact CG-CZ2 4.29Å; F76-W290 WeakPolarHBondContact O-CZ2 3.44Å; L286-W290 HydrophobicContact CB-CD2 4.21Å; L286-W290 HydrophobicContact CB-CE3 3.98Å; L286-W290 HydrophobicContact CB-CH2 4.08Å; L286-W290 HydrophobicContact CB-CZ2 4.26Å; L286-W290 HydrophobicContact CB-CZ3 3.92Å; L286-W290 HydrophobicContact CD1-CH2 3.75Å; L286-W290 HydrophobicContact CD1-CZ2 4.22Å; L286-W290 HydrophobicContact CD1-CZ3 4.19Å; L286-W290 HydrophobicContact CD2-CH2 4.02Å; L286-W290 HydrophobicContact CD2-CZ2 3.6Å; L286-W290 HydrophobicContact CG-CH2 4.15Å; L286-W290 HydrophobicContact CG-CZ2 4.22Å; L286-W290 HydrophobicContact CG-CZ3 4.47Å; L286-W290 WeakPolarHBondContact O-CB 3.34Å; L286-W290 PolarHBondContact O-N 2.83Å; V288-W290 VanDerWaalsContact C-N 3.32Å; V288-W290 PolarHBondContact O-N 2.93Å; W290-K292 PolarHBondContact O-N 3.34Å; W290-Y504 PolarHBondContact NE1-O 3.2Å |
| 291 | A | 76.5 | Confident | 87.7 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -59.3 | 142.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | D287 V288 V295 | D287-A291 VanDerWaalsContact O-CB 3.22Å; D287-A291 WeakPolarHBondContact O-CB 3.4Å; D287-A291 PolarHBondContact O-N 3.3Å; D287-A291 VanDerWaalsContact O-N 3.12Å; V288-A291 WeakPolarHBondContact O-CB 3.25Å; V288-A291 PolarHBondContact O-N 2.94Å; A291-V295 HydrophobicContact CB-CG2 3.43Å; A291-V295 VanDerWaalsContact CB-CG2 3.43Å |
| 292 | K | 69 | Low | 87.5 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | trans | -46.5 | 149.7 | -173.8 | -59.2 | 179.6 | 179.7 | -178 | 0 | 112 | W290 N294 V295 | W290-K292 PolarHBondContact O-N 3.34Å; K292-N294 PolarHBondContact O-N 3.05Å; K292-V295 WeakPolarHBondContact O-CG2 3.47Å; K292-V295 PolarHBondContact O-N 3.24Å; K292-V295 VanDerWaalsContact O-N 3.16Å | ||
| 293 | K | 64.6 | Low | 87.5 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -15.1 | -177.6 | -78 | -173.4 | 172.4 | -178.2 | 0 | 117.3 | C20 S510 | C20-K293 HydrophobicContact CB-CD 3.94Å; C20-K293 HydrophobicContact CB-CG 4.04Å; K293-S510 WeakPolarHBondContact CE-OG 3.2Å |
| 294 | N | 69.9 | Low | 87.6 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 86% | 0.856 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 16.6 | -178 | -62.6 | -13.4 | 0 | 0 | 0 | 114.6 | K292 S296 | K292-N294 PolarHBondContact O-N 3.05Å; N294-S296 PolarHBondContact O-N 2.7Å |
| 295 | V | 81.3 | Confident | 87.6 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | trans | -67.4 | 122.6 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | A291 K292 F300 | A291-V295 HydrophobicContact CB-CG2 3.43Å; A291-V295 VanDerWaalsContact CB-CG2 3.43Å; K292-V295 WeakPolarHBondContact O-CG2 3.47Å; K292-V295 PolarHBondContact O-N 3.24Å; K292-V295 VanDerWaalsContact O-N 3.16Å; V295-F300 HydrophobicContact CG1-CB 3.85Å | ||
| 296 | S | 90.2 | Very high | 87.7 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | trans | -66.2 | 152.2 | 173.1 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | N294 N298 S299 F300 | N294-S296 PolarHBondContact O-N 2.7Å; S296-N298 PolarHBondContact O-N 2.94Å; S296-N298 VanDerWaalsContact O-N 3.17Å; S296-S299 WeakPolarHBondContact O-CB 3.43Å; S296-S299 PolarHBondContact O-N 2.75Å; S296-S299 WeakPolarHBondContact OG-CB 3.49Å; S296-S299 PolarHBondContact OG-N 2.94Å; S296-F300 PolarHBondContact O-N 3.43Å | ||
| 297 | M | 91.9 | Very high | 88 | Confident | 128 Ų | 128 | 76 Ų | 76 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -52.1 | -42 | 178 | -175.6 | 57.2 | 66.1 | 0 | 0 | 112.6 | S299 F300 L301 | M297-S299 PolarHBondContact O-N 3.47Å; M297-F300 PolarHBondContact O-N 3.24Å; M297-L301 HydrophobicContact CG-CD1 3.96Å; M297-L301 HydrophobicContact CG-CG 4.36Å; M297-L301 WeakPolarHBondContact O-CB 3.47Å; M297-L301 VanDerWaalsContact O-CG 3.3Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.16Å; M297-L301 HydrophobicContact SD-CD1 4.12Å; M297-L301 HydrophobicContact SD-CD2 4.46Å; M297-L301 HydrophobicContact SD-CG 4.03Å |
| 298 | N | 94.5 | Very high | 88.4 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 66% | 0.663 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 178.1 | -70 | -21.4 | 0 | 0 | 0 | 112.5 | S296 T302 | S296-N298 PolarHBondContact O-N 2.94Å; S296-N298 VanDerWaalsContact O-N 3.17Å; N298-T302 WeakPolarHBondContact O-CB 3.29Å; N298-T302 PolarHBondContact O-N 3.38Å; N298-T302 PolarHBondContact O-OG1 2.91Å |
| 299 | S | 93.6 | Very high | 88.8 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 46% | 0.462 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | S296 M297 T302 G303 | S296-S299 WeakPolarHBondContact O-CB 3.43Å; S296-S299 PolarHBondContact O-N 2.75Å; S296-S299 WeakPolarHBondContact OG-CB 3.49Å; S296-S299 PolarHBondContact OG-N 2.94Å; M297-S299 PolarHBondContact O-N 3.47Å; S299-T302 PolarHBondContact O-N 3.38Å; S299-G303 PolarHBondContact O-N 3Å |
| 300 | F | 92.9 | Very high | 89.3 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -53 | 175.1 | 177.7 | -97.3 | 0 | 0 | 0 | 111.6 | V288 V289 V295 S296 M297 T302 G303 M304 L499 | V288-F300 HydrophobicContact CG1-CD2 3.65Å; V288-F300 HydrophobicContact CG1-CE2 4.05Å; V288-F300 HydrophobicContact CG1-CG 4.37Å; V289-F300 HydrophobicContact CG2-CE2 4.45Å; V295-F300 HydrophobicContact CG1-CB 3.85Å; S296-F300 PolarHBondContact O-N 3.43Å; M297-F300 PolarHBondContact O-N 3.24Å; F300-T302 PolarHBondContact O-N 2.66Å; F300-G303 PolarHBondContact O-N 2.77Å; F300-M304 HydrophobicContact CD1-CG 4.21Å; F300-M304 HydrophobicContact CD2-CG 4.47Å; F300-M304 HydrophobicContact CE1-CG 3.78Å; F300-M304 HydrophobicContact CE2-CG 4.07Å; F300-M304 HydrophobicContact CE2-SD 4.37Å; F300-M304 HydrophobicContact CZ-CG 3.69Å; F300-M304 HydrophobicContact CZ-SD 4.15Å; F300-M304 WeakPolarHBondContact O-CB 3.3Å; F300-M304 WeakPolarHBondContact O-CG 3.35Å; F300-M304 PolarHBondContact O-N 2.99Å; F300-L499 HydrophobicContact CZ-CD2 4.44Å |
| 301 | L | 94.5 | Very high | 90.1 | Very high | 91 Ų | 91 | 76.1 Ų | 76.1 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | -179.8 | -67.9 | 174.8 | 0 | 0 | 0 | 111.8 | M297 M304 V305 | M297-L301 HydrophobicContact CG-CD1 3.96Å; M297-L301 HydrophobicContact CG-CG 4.36Å; M297-L301 WeakPolarHBondContact O-CB 3.47Å; M297-L301 VanDerWaalsContact O-CG 3.3Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.16Å; M297-L301 HydrophobicContact SD-CD1 4.12Å; M297-L301 HydrophobicContact SD-CD2 4.46Å; M297-L301 HydrophobicContact SD-CG 4.03Å; L301-M304 PolarHBondContact O-N 2.98Å; L301-V305 VanDerWaalsContact O-CG2 3.31Å; L301-V305 WeakPolarHBondContact O-CG2 3.09Å; L301-V305 PolarHBondContact O-N 3.23Å |
| 302 | T | 96.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 75.3 Ų | 75.3 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | N298 S299 F300 V305 N306 | N298-T302 WeakPolarHBondContact O-CB 3.29Å; N298-T302 PolarHBondContact O-N 3.38Å; N298-T302 PolarHBondContact O-OG1 2.91Å; S299-T302 PolarHBondContact O-N 3.38Å; F300-T302 PolarHBondContact O-N 2.66Å; T302-V305 PolarHBondContact O-N 2.66Å; T302-N306 WeakPolarHBondContact CG2-ND2 3.44Å; T302-N306 VanDerWaalsContact O-CB 3.26Å; T302-N306 WeakPolarHBondContact O-CB 3.47Å; T302-N306 PolarHBondContact O-N 2.98Å; T302-N306 PolarHBondContact O-ND2 3.46Å |
| 303 | G | 96.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S299 F300 V305 N306 S307 | S299-G303 PolarHBondContact O-N 3Å; F300-G303 PolarHBondContact O-N 2.77Å; G303-V305 PolarHBondContact O-N 3.03Å; G303-N306 PolarHBondContact O-N 3.36Å; G303-S307 PolarHBondContact O-N 3.21Å |
| 304 | M | 95.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176.3 | -75.5 | -58.4 | -63.9 | 0 | 0 | 111.9 | M285 V288 V289 F300 L301 S307 L310 L499 | M285-M304 HydrophobicContact CG-CE 3.95Å; M285-M304 HydrophobicContact CG-SD 3.91Å; V288-M304 HydrophobicContact CG1-CG 4.23Å; V288-M304 HydrophobicContact CG1-SD 4.39Å; V289-M304 HydrophobicContact CG2-SD 4.19Å; F300-M304 HydrophobicContact CD1-CG 4.21Å; F300-M304 HydrophobicContact CD2-CG 4.47Å; F300-M304 HydrophobicContact CE1-CG 3.78Å; F300-M304 HydrophobicContact CE2-CG 4.07Å; F300-M304 HydrophobicContact CE2-SD 4.37Å; F300-M304 HydrophobicContact CZ-CG 3.69Å; F300-M304 HydrophobicContact CZ-SD 4.15Å; F300-M304 WeakPolarHBondContact O-CB 3.3Å; F300-M304 WeakPolarHBondContact O-CG 3.35Å; F300-M304 PolarHBondContact O-N 2.99Å; L301-M304 PolarHBondContact O-N 2.98Å; M304-S307 WeakPolarHBondContact O-CB 3.37Å; M304-S307 PolarHBondContact O-N 3.08Å; M304-S307 PolarHBondContact O-OG 3.38Å; M304-L310 HydrophobicContact CE-CD1 4.03Å; M304-L310 HydrophobicContact CE-CG 4.21Å; M304-L499 HydrophobicContact CE-CB 4.39Å; M304-L499 HydrophobicContact CE-CD1 4.06Å; M304-L499 HydrophobicContact CE-CD2 4.43Å |
| 305 | V | 96.3 | Very high | 95.5 | Very high | 113 Ų | 113 | 59 Ų | 59 | 69% | 0.685 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 111 | L301 T302 G303 S307 G308 | L301-V305 VanDerWaalsContact O-CG2 3.31Å; L301-V305 WeakPolarHBondContact O-CG2 3.09Å; L301-V305 PolarHBondContact O-N 3.23Å; T302-V305 PolarHBondContact O-N 2.66Å; G303-V305 PolarHBondContact O-N 3.03Å; V305-S307 VanDerWaalsContact C-N 3.28Å; V305-S307 PolarHBondContact O-N 3.07Å; V305-G308 PolarHBondContact O-N 2.74Å; V305-G308 VanDerWaalsContact O-N 3.14Å |
| 306 | N | 97.8 | Very high | 96.3 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.9 | -22.3 | -178.8 | -72.7 | -17.8 | 0 | 0 | 0 | 113.9 | T302 G303 G308 | T302-N306 WeakPolarHBondContact CG2-ND2 3.44Å; T302-N306 VanDerWaalsContact O-CB 3.26Å; T302-N306 WeakPolarHBondContact O-CB 3.47Å; T302-N306 PolarHBondContact O-N 2.98Å; T302-N306 PolarHBondContact O-ND2 3.46Å; G303-N306 PolarHBondContact O-N 3.36Å; N306-G308 VanDerWaalsContact C-N 3.28Å |
| 307 | S | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 171.9 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | S281 G303 M304 V305 W309 | S281-S307 VanDerWaalsContact CA-O 3.28Å; S281-S307 WeakPolarHBondContact CA-O 3.28Å; S281-S307 WeakPolarHBondContact CB-O 3.48Å; S281-S307 PolarHBondContact OG-O 2.74Å; G303-S307 PolarHBondContact O-N 3.21Å; M304-S307 WeakPolarHBondContact O-CB 3.37Å; M304-S307 PolarHBondContact O-N 3.08Å; M304-S307 PolarHBondContact O-OG 3.38Å; V305-S307 VanDerWaalsContact C-N 3.28Å; V305-S307 PolarHBondContact O-N 3.07Å; S307-W309 PolarHBondContact O-N 2.97Å; S307-W309 PolarHBondContact OG-N 3.2Å |
| 308 | G | 98.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | trans | 69.4 | 2.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | V305 N306 L310 K311 H312 | V305-G308 PolarHBondContact O-N 2.74Å; V305-G308 VanDerWaalsContact O-N 3.14Å; N306-G308 VanDerWaalsContact C-N 3.28Å; G308-L310 PolarHBondContact O-N 3.39Å; G308-K311 WeakPolarHBondContact O-CB 3.1Å; G308-K311 PolarHBondContact O-N 3.06Å; G308-K311 VanDerWaalsContact O-N 3.15Å; G308-H312 PolarHBondContact O-CD2 3.35Å; G308-H312 PolarHBondContact O-N 3.33Å | ||
| 309 | W | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -54.8 | -171.1 | -177.3 | -105.1 | 0 | 0 | 0 | 112.2 | V278 S281 L282 M285 S307 K311 H312 I313 P397 Q401 D404 Y504 | V278-W309 HydrophobicContact CG1-CH2 4.35Å; V278-W309 HydrophobicContact CG1-CZ3 3.83Å; S281-W309 WeakPolarHBondContact OG-CA 3.48Å; S281-W309 PolarHBondContact OG-N 2.93Å; S281-W309 VanDerWaalsContact OG-N 3.11Å; L282-W309 HydrophobicContact CB-CE3 3.89Å; L282-W309 HydrophobicContact CB-CH2 4.26Å; L282-W309 HydrophobicContact CB-CZ3 3.61Å; L282-W309 HydrophobicContact CD1-CD2 4.31Å; L282-W309 HydrophobicContact CD1-CE3 4.24Å; L282-W309 HydrophobicContact CD1-CH2 4.06Å; L282-W309 HydrophobicContact CD1-CZ2 4.16Å; L282-W309 HydrophobicContact CD1-CZ3 4.11Å; L282-W309 HydrophobicContact CG-CZ3 4.35Å; M285-W309 HydrophobicContact CB-CB 3.93Å; M285-W309 HydrophobicContact CB-CG 4.37Å; M285-W309 HydrophobicContact CG-CB 3.92Å; M285-W309 HydrophobicContact CG-CG 4.18Å; S307-W309 PolarHBondContact O-N 2.97Å; S307-W309 PolarHBondContact OG-N 3.2Å; W309-K311 PolarHBondContact O-N 3.02Å; W309-H312 WeakPolarHBondContact O-CA 3.42Å; W309-H312 WeakPolarHBondContact O-CB 3.33Å; W309-H312 PolarHBondContact O-N 2.87Å; W309-I313 HydrophobicContact CZ2-CD1 4Å; W309-I313 PolarHBondContact O-N 3Å; W309-P397 HydrophobicContact CH2-CG 4.23Å; W309-P397 HydrophobicContact CZ3-CG 4.3Å; W309-Q401 HydrophobicContact CH2-CB 3.79Å; W309-Q401 HydrophobicContact CH2-CG 3.87Å; W309-Q401 HydrophobicContact CZ2-CB 4.23Å; W309-Q401 HydrophobicContact CZ2-CG 4.17Å; W309-Q401 HydrophobicContact CZ3-CG 4.49Å; W309-D404 PolarHBondContact NE1-OD2 3.04Å; W309-Y504 VanDerWaalsContact CE2-OH 3.3Å; W309-Y504 WeakPolarHBondContact CZ2-OH 3.12Å; W309-Y504 AromaticContact NE1-CE2 3.85Å; W309-Y504 AromaticContact NE1-CZ 3.74Å; W309-Y504 PolarHBondContact NE1-OH 3.07Å |
| 310 | L | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -31.9 | 178.8 | -59.4 | -178.5 | 0 | 0 | 0 | 112.4 | M304 G308 I313 R314 I497 T498 | M304-L310 HydrophobicContact CE-CD1 4.03Å; M304-L310 HydrophobicContact CE-CG 4.21Å; G308-L310 PolarHBondContact O-N 3.39Å; L310-I313 PolarHBondContact O-N 3.45Å; L310-R314 WeakPolarHBondContact O-CB 3.49Å; L310-R314 PolarHBondContact O-N 2.84Å; L310-I497 HydrophobicContact CB-CG2 4.15Å; L310-I497 HydrophobicContact CD2-CG2 4.39Å; L310-T498 WeakPolarHBondContact CD2-O 3.37Å |
| 311 | K | 98.1 | Very high | 97.8 | Very high | 148 Ų | 148 | 39.2 Ų | 39.2 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.9 | -41.9 | 172.7 | 177.3 | -176.4 | 175.8 | -177.3 | 0 | 110.9 | G308 W309 R314 S315 | G308-K311 WeakPolarHBondContact O-CB 3.1Å; G308-K311 PolarHBondContact O-N 3.06Å; G308-K311 VanDerWaalsContact O-N 3.15Å; W309-K311 PolarHBondContact O-N 3.02Å; K311-R314 PolarHBondContact O-N 3.4Å; K311-S315 PolarHBondContact O-N 3.24Å; K311-S315 PolarHBondContact O-OG 3.2Å |
| 312 | H | 98.5 | Very high | 98 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 177.1 | -59.9 | -33.8 | 0 | 0 | 0 | 112.5 | E273 S281 G308 W309 S315 L316 | E273-H312 WeakPolarHBondContact CG-CE1 3.44Å; S281-H312 PolarHBondContact OG-CD2 3.12Å; S281-H312 VanDerWaalsContact OG-CD2 3.24Å; G308-H312 PolarHBondContact O-CD2 3.35Å; G308-H312 PolarHBondContact O-N 3.33Å; W309-H312 WeakPolarHBondContact O-CA 3.42Å; W309-H312 WeakPolarHBondContact O-CB 3.33Å; W309-H312 PolarHBondContact O-N 2.87Å; H312-S315 PolarHBondContact O-N 3.43Å; H312-L316 PolarHBondContact O-N 3.33Å; H312-L316 VanDerWaalsContact O-N 3.16Å |
| 313 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 172.2 | -60.3 | -56.5 | 0 | 0 | 0 | 110.5 | W309 L310 S315 L316 L317 Q401 D404 A405 Q408 I497 | W309-I313 HydrophobicContact CZ2-CD1 4Å; W309-I313 PolarHBondContact O-N 3Å; L310-I313 PolarHBondContact O-N 3.45Å; I313-S315 VanDerWaalsContact C-N 3.34Å; I313-S315 PolarHBondContact O-N 3.37Å; I313-L316 WeakPolarHBondContact O-CB 3.33Å; I313-L316 PolarHBondContact O-N 3.18Å; I313-L316 VanDerWaalsContact O-N 3.16Å; I313-L317 HydrophobicContact CG2-CD1 4.39Å; I313-L317 PolarHBondContact O-N 3.47Å; I313-Q401 HydrophobicContact CD1-CG 3.56Å; I313-D404 HydrophobicContact CD1-CB 3.73Å; I313-A405 HydrophobicContact CG2-CB 4.36Å; I313-Q408 HydrophobicContact CG2-CG 3.57Å; I313-I497 HydrophobicContact CB-CG2 4.35Å; I313-I497 HydrophobicContact CG2-CG2 4.22Å |
| 314 | R | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.2 | -171.8 | -175.8 | 166.1 | -74.9 | -7.8 | 112.1 | L310 K311 L316 L317 E318 L492 I497 | L310-R314 WeakPolarHBondContact O-CB 3.49Å; L310-R314 PolarHBondContact O-N 2.84Å; K311-R314 PolarHBondContact O-N 3.4Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.31Å; R314-L317 PolarHBondContact O-N 2.9Å; R314-E318 IonicContact CZ-OE1 2.69Å; R314-E318 IonicContact CZ-OE2 2.84Å; R314-E318 IonicContact NH1-OE1 2.66Å; R314-E318 PolarHBondContact NH1-OE1 3.32Å; R314-E318 IonicContact NH1-OE2 3.37Å; R314-E318 PolarHBondContact NH1-OE2 3.39Å; R314-E318 IonicContact NH2-OE1 3.33Å; R314-E318 PolarHBondContact NH2-OE1 3.4Å; R314-E318 IonicContact NH2-OE2 3.22Å; R314-E318 VanDerWaalsContact O-CB 3.29Å; R314-E318 WeakPolarHBondContact O-CB 3.34Å; R314-E318 PolarHBondContact O-N 2.89Å; R314-L492 PolarHBondContact NE-O 3.44Å; R314-I497 HydrophobicContact CB-CG1 4.11Å; R314-I497 HydrophobicContact CG-CG1 4.18Å |
| 315 | S | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -37 | 178 | -68.1 | 0 | 0 | 0 | 0 | 112.9 | A271 K311 H312 I313 T319 | A271-S315 PolarHBondContact O-OG 3.3Å; K311-S315 PolarHBondContact O-N 3.24Å; K311-S315 PolarHBondContact O-OG 3.2Å; H312-S315 PolarHBondContact O-N 3.43Å; I313-S315 VanDerWaalsContact C-N 3.34Å; I313-S315 PolarHBondContact O-N 3.37Å; S315-T319 WeakPolarHBondContact O-CB 3.08Å; S315-T319 PolarHBondContact O-N 3.29Å; S315-T319 PolarHBondContact O-OG1 3.04Å |
| 316 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -49 | 175.1 | -72.5 | -179.5 | 0 | 0 | 0 | 111.4 | V272 H312 I313 R314 T319 A320 Q346 T347 L350 Q401 A405 | V272-L316 HydrophobicContact CB-CD2 4.42Å; V272-L316 HydrophobicContact CG1-CD2 3.38Å; V272-L316 HydrophobicContact CG1-CG 4.31Å; V272-L316 HydrophobicContact CG2-CD2 4.11Å; H312-L316 PolarHBondContact O-N 3.33Å; H312-L316 VanDerWaalsContact O-N 3.16Å; I313-L316 WeakPolarHBondContact O-CB 3.33Å; I313-L316 PolarHBondContact O-N 3.18Å; I313-L316 VanDerWaalsContact O-N 3.16Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.31Å; L316-T319 PolarHBondContact O-N 3.18Å; L316-A320 WeakPolarHBondContact O-CB 3.49Å; L316-A320 PolarHBondContact O-N 3.37Å; L316-Q346 HydrophobicContact CD2-CB 3.88Å; L316-T347 HydrophobicContact CD2-CG2 4.04Å; L316-L350 HydrophobicContact CB-CD1 3.88Å; L316-Q401 HydrophobicContact CD1-CG 3.72Å; L316-A405 HydrophobicContact CB-CB 4.47Å; L316-A405 HydrophobicContact CD1-CB 4.31Å |
| 317 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.6 | -66.5 | 173.7 | 0 | 0 | 0 | 112.2 | I313 R314 A320 S321 L350 A405 Q408 L409 L492 I497 | I313-L317 HydrophobicContact CG2-CD1 4.39Å; I313-L317 PolarHBondContact O-N 3.47Å; R314-L317 PolarHBondContact O-N 2.9Å; L317-A320 PolarHBondContact O-N 3.38Å; L317-S321 WeakPolarHBondContact O-CB 3.4Å; L317-S321 PolarHBondContact O-N 3.04Å; L317-L350 HydrophobicContact CD2-CD2 4.34Å; L317-A405 HydrophobicContact CD2-CB 4.14Å; L317-A405 HydrophobicContact CG-CB 4.34Å; L317-Q408 HydrophobicContact CD1-CB 3.84Å; L317-Q408 HydrophobicContact CD1-CG 4.11Å; L317-L409 HydrophobicContact CD2-CD1 4.38Å; L317-L409 HydrophobicContact CD2-CD2 3.93Å; L317-L409 HydrophobicContact CD2-CG 4.01Å; L317-L492 HydrophobicContact CB-CD2 3.59Å; L317-I497 HydrophobicContact CD1-CD1 3.88Å |
| 318 | E | 98.7 | Very high | 98.6 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 31% | 0.313 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.7 | -176.9 | 166.8 | -124.9 | 0 | 0 | 111.5 | R314 S321 F322 L492 | R314-E318 IonicContact CZ-OE1 2.69Å; R314-E318 IonicContact CZ-OE2 2.84Å; R314-E318 IonicContact NH1-OE1 2.66Å; R314-E318 PolarHBondContact NH1-OE1 3.32Å; R314-E318 IonicContact NH1-OE2 3.37Å; R314-E318 PolarHBondContact NH1-OE2 3.39Å; R314-E318 IonicContact NH2-OE1 3.33Å; R314-E318 PolarHBondContact NH2-OE1 3.4Å; R314-E318 IonicContact NH2-OE2 3.22Å; R314-E318 VanDerWaalsContact O-CB 3.29Å; R314-E318 WeakPolarHBondContact O-CB 3.34Å; R314-E318 PolarHBondContact O-N 2.89Å; E318-S321 PolarHBondContact O-N 3.37Å; E318-F322 PolarHBondContact O-N 3.01Å; E318-L492 HydrophobicContact CB-CD1 4.01Å; E318-L492 HydrophobicContact CG-CD1 4.26Å |
| 319 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.6 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | V238 T240 F270 V272 S315 L316 F322 I323 T347 | V238-T319 HydrophobicContact CG1-CG2 4.07Å; T240-T319 HydrophobicContact CG2-CG2 4.18Å; F270-T319 HydrophobicContact CB-CG2 3.99Å; F270-T319 VanDerWaalsContact CB-OG1 3.28Å; F270-T319 WeakPolarHBondContact CB-OG1 3.37Å; F270-T319 HydrophobicContact CD1-CG2 4.04Å; F270-T319 VanDerWaalsContact CD1-OG1 3.31Å; F270-T319 WeakPolarHBondContact CD1-OG1 3.08Å; F270-T319 HydrophobicContact CD2-CG2 3.86Å; F270-T319 HydrophobicContact CE2-CG2 4.41Å; F270-T319 HydrophobicContact CG-CG2 3.67Å; F270-T319 WeakPolarHBondContact CG-OG1 3.44Å; V272-T319 WeakPolarHBondContact CG2-OG1 3.46Å; S315-T319 WeakPolarHBondContact O-CB 3.08Å; S315-T319 PolarHBondContact O-N 3.29Å; S315-T319 PolarHBondContact O-OG1 3.04Å; L316-T319 PolarHBondContact O-N 3.18Å; T319-F322 PolarHBondContact O-N 3.43Å; T319-I323 HydrophobicContact CG2-CD1 4.04Å; T319-I323 WeakPolarHBondContact O-CD1 3.24Å; T319-I323 VanDerWaalsContact O-CG1 3.3Å; T319-I323 WeakPolarHBondContact O-CG1 3.3Å; T319-I323 PolarHBondContact O-N 2.82Å; T319-T347 HydrophobicContact CG2-CG2 3.65Å |
| 320 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L316 L317 I323 S324 L350 A351 L354 | L316-A320 WeakPolarHBondContact O-CB 3.49Å; L316-A320 PolarHBondContact O-N 3.37Å; L317-A320 PolarHBondContact O-N 3.38Å; A320-I323 PolarHBondContact O-N 2.73Å; A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 2.82Å; A320-L350 HydrophobicContact CB-CB 3.37Å; A320-L350 HydrophobicContact CB-CD1 4.39Å; A320-A351 HydrophobicContact CB-CB 4.45Å; A320-L354 HydrophobicContact CB-CD1 4.25Å |
| 321 | S | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | L317 E318 S324 E325 | L317-S321 WeakPolarHBondContact O-CB 3.4Å; L317-S321 PolarHBondContact O-N 3.04Å; E318-S321 PolarHBondContact O-N 3.37Å; S321-S324 PolarHBondContact O-N 2.92Å; S321-E325 WeakPolarHBondContact O-CB 3.37Å; S321-E325 PolarHBondContact O-N 3.49Å |
| 322 | F | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 24.7 Ų | 24.7 | 22% | 0.224 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.9 | 175.3 | -93 | 0 | 0 | 0 | 112.3 | F236 V238 H268 F270 E318 T319 S324 E325 A326 | F236-F322 HydrophobicContact CD2-CE1 4.1Å; F236-F322 AromaticContact CD2-CZ 3.87Å; F236-F322 HydrophobicContact CD2-CZ 3.87Å; F236-F322 AromaticContact CE2-CZ 3.98Å; F236-F322 HydrophobicContact CE2-CZ 3.98Å; V238-F322 HydrophobicContact CG2-CD1 4.09Å; V238-F322 HydrophobicContact CG2-CE1 3.78Å; H268-F322 HydrophobicContact CB-CE1 4.12Å; H268-F322 HydrophobicContact CB-CZ 4.2Å; H268-F322 AromaticContact CD2-CZ 3.75Å; H268-F322 AromaticContact CE1-CZ 3.65Å; H268-F322 AromaticContact CG-CE1 3.9Å; H268-F322 AromaticContact CG-CZ 3.55Å; H268-F322 AromaticContact ND1-CZ 3.48Å; H268-F322 WeakPolarHBondContact ND1-CZ 3.23Å; H268-F322 AromaticContact NE2-CZ 3.82Å; F270-F322 HydrophobicContact CE1-CB 3.93Å; F270-F322 HydrophobicContact CE1-CG 4.18Å; F270-F322 AromaticContact CE2-CD1 3.7Å; F270-F322 HydrophobicContact CE2-CD1 3.7Å; F270-F322 HydrophobicContact CE2-CE1 4.1Å; F270-F322 HydrophobicContact CE2-CG 4.14Å; F270-F322 HydrophobicContact CZ-CB 3.56Å; F270-F322 AromaticContact CZ-CD1 3.41Å; F270-F322 HydrophobicContact CZ-CD1 3.41Å; F270-F322 VanDerWaalsContact CZ-CD1 3.41Å; F270-F322 AromaticContact CZ-CD2 3.95Å; F270-F322 HydrophobicContact CZ-CD2 3.95Å; F270-F322 HydrophobicContact CZ-CE1 4.06Å; F270-F322 AromaticContact CZ-CG 3.35Å; F270-F322 HydrophobicContact CZ-CG 3.35Å; E318-F322 PolarHBondContact O-N 3.01Å; T319-F322 PolarHBondContact O-N 3.43Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.34Å; F322-E325 PolarHBondContact O-N 3.41Å; F322-A326 WeakPolarHBondContact O-CB 3.45Å; F322-A326 PolarHBondContact O-N 3.14Å |
| 323 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 177.7 | -65 | 160.3 | 0 | 0 | 0 | 110.1 | I201 V238 T319 A320 E325 A326 V327 V333 V335 A351 | I201-I323 HydrophobicContact CD1-CG2 3.72Å; I201-I323 HydrophobicContact CG1-CG2 3.98Å; I201-I323 HydrophobicContact CG2-CG2 4.49Å; V238-I323 HydrophobicContact CG1-CD1 4.24Å; V238-I323 HydrophobicContact CG1-CG1 4.29Å; V238-I323 HydrophobicContact CG2-CG1 4.25Å; T319-I323 HydrophobicContact CG2-CD1 4.04Å; T319-I323 WeakPolarHBondContact O-CD1 3.24Å; T319-I323 VanDerWaalsContact O-CG1 3.3Å; T319-I323 WeakPolarHBondContact O-CG1 3.3Å; T319-I323 PolarHBondContact O-N 2.82Å; A320-I323 PolarHBondContact O-N 2.73Å; I323-E325 PolarHBondContact O-N 3.28Å; I323-A326 PolarHBondContact O-N 2.88Å; I323-V327 HydrophobicContact CG2-CG2 4.46Å; I323-V327 WeakPolarHBondContact O-CB 3.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.44Å; I323-V327 PolarHBondContact O-N 3.38Å; I323-V333 HydrophobicContact CG1-CG1 4.38Å; I323-V333 HydrophobicContact CG2-CB 4.44Å; I323-V333 HydrophobicContact CG2-CG1 4.36Å; I323-V333 HydrophobicContact CG2-CG2 4.48Å; I323-V335 HydrophobicContact CD1-CG1 4.23Å; I323-V335 HydrophobicContact CD1-CG2 3.74Å; I323-V335 HydrophobicContact CG1-CG2 4.21Å; I323-V335 HydrophobicContact CG2-CG2 4.5Å; I323-A351 HydrophobicContact CB-CB 3.88Å; I323-A351 HydrophobicContact CG2-CB 3.67Å |
| 324 | S | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.1 | 177 | 0 | 0 | 0 | 0 | 112.1 | A320 S321 F322 V327 S328 L355 | A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 2.82Å; S321-S324 PolarHBondContact O-N 2.92Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.34Å; S324-V327 PolarHBondContact O-N 2.82Å; S324-S328 VanDerWaalsContact O-CB 3.32Å; S324-S328 WeakPolarHBondContact O-CB 3.33Å; S324-S328 PolarHBondContact O-N 2.8Å; S324-S328 PolarHBondContact O-OG 3.35Å; S324-L355 WeakPolarHBondContact O-CD2 3Å; S324-L355 WeakPolarHBondContact OG-CG 3.25Å |
| 325 | E | 98.5 | Very high | 98.6 | Very high | 99 Ų | 99 | 20.2 Ų | 20.2 | 46% | 0.463 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 179.1 | -175.1 | 160.2 | -137.9 | 0 | 0 | 112.2 | S321 F322 I323 S328 S329 | S321-E325 WeakPolarHBondContact O-CB 3.37Å; S321-E325 PolarHBondContact O-N 3.49Å; F322-E325 PolarHBondContact O-N 3.41Å; I323-E325 PolarHBondContact O-N 3.28Å; E325-S328 WeakPolarHBondContact CA-OG 3.5Å; E325-S328 PolarHBondContact O-OG 3.26Å; E325-S329 WeakPolarHBondContact O-CB 3.31Å; E325-S329 PolarHBondContact O-N 3.47Å; E325-S329 PolarHBondContact O-OG 2.99Å |
| 326 | A | 98.5 | Very high | 98.6 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F236 F322 I323 S329 G330 T331 V333 | F236-A326 HydrophobicContact CD2-CB 3.83Å; F236-A326 HydrophobicContact CE2-CB 4.06Å; F322-A326 WeakPolarHBondContact O-CB 3.45Å; F322-A326 PolarHBondContact O-N 3.14Å; I323-A326 PolarHBondContact O-N 2.88Å; A326-S329 CarbonylContact O-C 3.29Å; A326-S329 PolarHBondContact O-N 3.35Å; A326-G330 PolarHBondContact O-N 3.23Å; A326-T331 CarbonylContact C-O 3.5Å; A326-T331 WeakPolarHBondContact O-CA 3.46Å; A326-T331 WeakPolarHBondContact O-CB 3.38Å; A326-T331 PolarHBondContact O-N 3.2Å; A326-V333 HydrophobicContact CB-CG2 3.84Å |
| 327 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -47 | -178.8 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Y194 N197 A199 I201 I323 S324 S329 G330 T331 V333 L355 | Y194-V327 HydrophobicContact CD1-CG1 4.47Å; Y194-V327 HydrophobicContact CG-CG1 4.03Å; N197-V327 PolarHBondContact ND2-O 2.82Å; A199-V327 HydrophobicContact CB-CG1 3.99Å; A199-V327 WeakPolarHBondContact CB-O 3.48Å; I201-V327 HydrophobicContact CD1-CG2 4.31Å; I201-V327 HydrophobicContact CG1-CG2 3.68Å; I323-V327 HydrophobicContact CG2-CG2 4.46Å; I323-V327 WeakPolarHBondContact O-CB 3.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.44Å; I323-V327 PolarHBondContact O-N 3.38Å; S324-V327 PolarHBondContact O-N 2.82Å; V327-S329 PolarHBondContact O-N 3.06Å; V327-G330 PolarHBondContact O-N 3.25Å; V327-T331 WeakPolarHBondContact CA-O 3.3Å; V327-T331 PolarHBondContact N-O 3.02Å; V327-V333 HydrophobicContact CG2-CB 4.46Å; V327-V333 HydrophobicContact CG2-CG2 3.82Å; V327-L355 HydrophobicContact CB-CD1 4.05Å; V327-L355 HydrophobicContact CB-CD2 4.27Å; V327-L355 HydrophobicContact CG1-CD1 3.88Å; V327-L355 HydrophobicContact CG1-CD2 4.1Å |
| 328 | S | 98.1 | Very high | 98.4 | Very high | 32 Ų | 32 | 20.8 Ų | 20.8 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -28.1 | 177.3 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | N197 S324 E325 G330 | N197-S328 PolarHBondContact ND2-O 2.9Å; N197-S328 VanDerWaalsContact ND2-O 3.16Å; S324-S328 VanDerWaalsContact O-CB 3.32Å; S324-S328 WeakPolarHBondContact O-CB 3.33Å; S324-S328 PolarHBondContact O-N 2.8Å; S324-S328 PolarHBondContact O-OG 3.35Å; E325-S328 WeakPolarHBondContact CA-OG 3.5Å; E325-S328 PolarHBondContact O-OG 3.26Å; S328-G330 VanDerWaalsContact C-N 3.27Å; S328-G330 PolarHBondContact O-N 3.43Å |
| 329 | S | 97.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 18.9 Ų | 18.9 | 63% | 0.629 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.5 | 172.7 | -54.5 | 0 | 0 | 0 | 0 | 114.2 | E325 A326 V327 | E325-S329 WeakPolarHBondContact O-CB 3.31Å; E325-S329 PolarHBondContact O-N 3.47Å; E325-S329 PolarHBondContact O-OG 2.99Å; A326-S329 CarbonylContact O-C 3.29Å; A326-S329 PolarHBondContact O-N 3.35Å; V327-S329 PolarHBondContact O-N 3.06Å |
| 330 | G | 97.9 | Very high | 98.2 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 11 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N197 N229 S232 A326 V327 S328 | N197-G330 VanDerWaalsContact ND2-CA 3.3Å; N197-G330 WeakPolarHBondContact ND2-CA 3.48Å; N197-G330 PolarHBondContact ND2-N 3.21Å; N229-G330 PolarHBondContact ND2-O 3.36Å; S232-G330 WeakPolarHBondContact CB-O 3.5Å; A326-G330 PolarHBondContact O-N 3.23Å; V327-G330 PolarHBondContact O-N 3.25Å; S328-G330 VanDerWaalsContact C-N 3.27Å; S328-G330 PolarHBondContact O-N 3.43Å |
| 331 | T | 98.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 15% | 0.153 | 12% | 0.118 | C | C | . | . | trans | -101.8 | 123.5 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 111 | F236 A326 V327 | F236-T331 HydrophobicContact CB-CG2 4.3Å; F236-T331 HydrophobicContact CD1-CG2 3.68Å; F236-T331 HydrophobicContact CD2-CG2 3.81Å; F236-T331 HydrophobicContact CE1-CG2 3.89Å; F236-T331 HydrophobicContact CE2-CG2 4Å; F236-T331 HydrophobicContact CG-CG2 3.65Å; F236-T331 HydrophobicContact CZ-CG2 4.04Å; A326-T331 CarbonylContact C-O 3.5Å; A326-T331 WeakPolarHBondContact O-CA 3.46Å; A326-T331 WeakPolarHBondContact O-CB 3.38Å; A326-T331 PolarHBondContact O-N 3.2Å; V327-T331 WeakPolarHBondContact CA-O 3.3Å; V327-T331 PolarHBondContact N-O 3.02Å | ||
| 332 | S | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | -71.4 | 148.5 | 173 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | V200 N229 L235 F236 | V200-S332 PolarHBondContact N-OG 3.29Å; V200-S332 CarbonylContact O-C 2.76Å; V200-S332 WeakPolarHBondContact O-CA 3.33Å; N229-S332 VanDerWaalsContact CB-OG 3.27Å; N229-S332 WeakPolarHBondContact CB-OG 3.27Å; N229-S332 PolarHBondContact ND2-OG 3.05Å; N229-S332 VanDerWaalsContact ND2-OG 3.16Å; L235-S332 WeakPolarHBondContact CD1-O 3.45Å; F236-S332 PolarHBondContact N-O 3.21Å | ||
| 333 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.4 | -174.2 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | V200 I201 C202 F236 V238 I323 A326 V327 V335 | V200-V333 PolarHBondContact O-N 3.08Å; I201-V333 CarbonylContact C-O 3.49Å; I201-V333 WeakPolarHBondContact CA-O 3.16Å; C202-V333 PolarHBondContact N-O 2.98Å; F236-V333 HydrophobicContact CB-CG1 4.41Å; F236-V333 HydrophobicContact CB-CG2 4.25Å; F236-V333 CarbonylContact O-C 3.57Å; F236-V333 VanDerWaalsContact O-CA 3.31Å; F236-V333 WeakPolarHBondContact O-CA 3.38Å; V238-V333 HydrophobicContact CB-CG1 4.09Å; V238-V333 HydrophobicContact CG2-CG1 3.53Å; I323-V333 HydrophobicContact CG1-CG1 4.38Å; I323-V333 HydrophobicContact CG2-CB 4.44Å; I323-V333 HydrophobicContact CG2-CG1 4.36Å; I323-V333 HydrophobicContact CG2-CG2 4.48Å; A326-V333 HydrophobicContact CB-CG2 3.84Å; V327-V333 HydrophobicContact CG2-CB 4.46Å; V327-V333 HydrophobicContact CG2-CG2 3.82Å; V333-V335 HydrophobicContact CG1-CG2 3.82Å |
| 334 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.4 | 166.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | C202 C204 M222 I225 L235 F236 I237 V238 | C202-V334 HydrophobicContact CB-CB 4.42Å; C202-V334 HydrophobicContact CB-CG1 4.41Å; C202-V334 HydrophobicContact CB-CG2 3.94Å; C202-V334 CarbonylContact O-C 3.46Å; C202-V334 WeakPolarHBondContact O-CA 3.41Å; C204-V334 WeakPolarHBondContact SG-CG1 3.21Å; M222-V334 HydrophobicContact CE-CG1 4.08Å; M222-V334 HydrophobicContact SD-CG1 4.42Å; M222-V334 HydrophobicContact SD-CG2 3.9Å; I225-V334 HydrophobicContact CD1-CG2 4.32Å; I225-V334 HydrophobicContact CG2-CG2 4.27Å; L235-V334 HydrophobicContact CD1-CG2 4.17Å; L235-V334 HydrophobicContact CD2-CG2 4.04Å; L235-V334 HydrophobicContact CG-CG2 4.37Å; F236-V334 PolarHBondContact O-N 3.21Å; I237-V334 CarbonylContact C-O 3.36Å; I237-V334 WeakPolarHBondContact CA-O 3.38Å; I237-V334 HydrophobicContact CG1-CB 4.4Å; V238-V334 PolarHBondContact N-O 3.29Å |
| 335 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.9 | -175.3 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | I201 C202 R203 C204 V238 T240 I323 V333 T344 V348 | I201-V335 HydrophobicContact CG2-CG2 3.95Å; C202-V335 PolarHBondContact O-N 3.12Å; R203-V335 WeakPolarHBondContact CA-O 3.45Å; C204-V335 PolarHBondContact N-O 3.41Å; V238-V335 HydrophobicContact CB-CG2 4.32Å; V238-V335 HydrophobicContact CG1-CG1 4.37Å; V238-V335 WeakPolarHBondContact O-CA 3.35Å; T240-V335 HydrophobicContact CG2-CG1 3.79Å; I323-V335 HydrophobicContact CD1-CG1 4.23Å; I323-V335 HydrophobicContact CD1-CG2 3.74Å; I323-V335 HydrophobicContact CG1-CG2 4.21Å; I323-V335 HydrophobicContact CG2-CG2 4.5Å; V333-V335 HydrophobicContact CG1-CG2 3.82Å; V335-T344 HydrophobicContact CG1-CG2 4.39Å; V335-V348 HydrophobicContact CB-CG2 3.92Å; V335-V348 HydrophobicContact CG1-CG2 4.12Å; V335-V348 HydrophobicContact CG2-CG2 4.13Å |
| 336 | H | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 171.7 | 170.2 | 68.3 | 89 | 0 | 0 | 0 | 112.9 | C204 V238 D239 T240 E257 Y267 T344 | C204-H336 WeakPolarHBondContact O-CA 3.44Å; C204-H336 WeakPolarHBondContact O-CB 3.27Å; V238-H336 PolarHBondContact O-N 3.32Å; D239-H336 IonicContact OD2-CE1 3.41Å; D239-H336 PolarHBondContact OD2-CE1 3.03Å; T240-H336 WeakPolarHBondContact CG2-O 3.4Å; T240-H336 PolarHBondContact N-O 3.13Å; T240-H336 PolarHBondContact OG1-O 3.12Å; E257-H336 IonicContact OE1-NE2 3.13Å; E257-H336 IonicContact OE2-CE1 3.12Å; E257-H336 IonicContact OE2-NE2 3.91Å; E257-H336 PolarHBondContact OE2-NE2 3.3Å; Y267-H336 AromaticContact CZ-NE2 3.88Å; Y267-H336 PolarHBondContact OH-CE1 3Å; Y267-H336 PolarHBondContact OH-NE2 3.45Å; H336-T344 WeakPolarHBondContact CA-OG1 3.41Å |
| 337 | C | 97.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | trans | -131.2 | -131.6 | 171.2 | 70 | 0 | 0 | 0 | 0 | 109.4 | Q206 T240 R241 G340 R343 T344 | Q206-C337 WeakPolarHBondContact CB-O 3.5Å; T240-C337 WeakPolarHBondContact OG1-CA 3.35Å; T240-C337 WeakPolarHBondContact OG1-CB 3.4Å; R241-C337 HydrophobicContact CG-CB 4.45Å; C337-G340 VanDerWaalsContact SG-CA 3.55Å; C337-G340 PolarHBondContact SG-N 2.94Å; C337-R343 HydrophobicContact CB-CB 3.77Å; C337-T344 PolarHBondContact N-OG1 3.05Å; C337-T344 PolarHBondContact SG-OG1 2.89Å; C337-T344 VanDerWaalsContact SG-OG1 3.35Å | ||
| 338 | S | 97 | Very high | 98.2 | Very high | 18 Ų | 18 | 12.2 Ų | 12.2 | 13% | 0.126 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -77.1 | -73.9 | 168.9 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | Q206 R241 R343 | Q206-S338 WeakPolarHBondContact CB-O 3.46Å; Q206-S338 WeakPolarHBondContact CG-O 3.5Å; Q206-S338 PolarHBondContact N-O 3.49Å; Q206-S338 VanDerWaalsContact NE2-CA 3.35Å; Q206-S338 PolarHBondContact NE2-O 2.82Å; Q206-S338 VanDerWaalsContact NE2-O 3.14Å; R241-S338 WeakPolarHBondContact CD-OG 3.35Å; S338-R343 PolarHBondContact OG-NH2 2.81Å |
| 339 | D | 96 | Very high | 98.2 | Very high | 27 Ų | 27 | 10.7 Ų | 10.7 | 14% | 0.144 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -102.3 | -0.2 | -178.3 | -62.5 | -68.6 | 0 | 0 | 0 | 112.8 | S183 R184 R186 S205 K254 W341 | S183-D339 PolarHBondContact OG-OD1 2.81Å; R184-D339 IonicContact NE-OD1 2.72Å; R186-D339 WeakPolarHBondContact CD-O 3.38Å; R186-D339 PolarHBondContact NE-O 3.48Å; S205-D339 WeakPolarHBondContact CB-O 3.4Å; K254-D339 IonicContact NZ-OD1 3.4Å; D339-W341 HydrophobicContact CB-CD2 3.65Å; D339-W341 VanDerWaalsContact CB-CE2 3.46Å; D339-W341 HydrophobicContact CB-CE3 3.76Å; D339-W341 HydrophobicContact CB-CH2 3.68Å; D339-W341 HydrophobicContact CB-CZ2 3.46Å; D339-W341 VanDerWaalsContact CB-CZ2 3.46Å; D339-W341 HydrophobicContact CB-CZ3 3.8Å; D339-W341 PolarHBondContact O-N 3.01Å |
| 340 | G | 96.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | 78.7 | 14.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | R186 R203 C204 C337 T344 | R186-G340 PolarHBondContact NH2-O 3.13Å; R203-G340 PolarHBondContact NH2-O 2.89Å; C204-G340 WeakPolarHBondContact O-CA 3.49Å; C337-G340 VanDerWaalsContact SG-CA 3.55Å; C337-G340 PolarHBondContact SG-N 2.94Å; G340-T344 WeakPolarHBondContact CA-OG1 3.38Å |
| 341 | W | 97.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 5.7 Ų | 5.7 | 7% | 0.072 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -122.5 | -6.9 | -178.3 | 57.8 | 59.2 | 0 | 0 | 0 | 115.1 | R184 D339 P345 G377 H378 K379 | R184-W341 VanDerWaalsContact CZ-CH2 3.49Å; D339-W341 HydrophobicContact CB-CD2 3.65Å; D339-W341 VanDerWaalsContact CB-CE2 3.46Å; D339-W341 HydrophobicContact CB-CE3 3.76Å; D339-W341 HydrophobicContact CB-CH2 3.68Å; D339-W341 HydrophobicContact CB-CZ2 3.46Å; D339-W341 VanDerWaalsContact CB-CZ2 3.46Å; D339-W341 HydrophobicContact CB-CZ3 3.8Å; D339-W341 PolarHBondContact O-N 3.01Å; W341-P345 WeakPolarHBondContact O-CG 3.45Å; W341-G377 WeakPolarHBondContact CB-O 3.32Å; W341-H378 PolarHBondContact O-ND1 3.4Å; W341-K379 HydrophobicContact CD2-CD 4.46Å; W341-K379 HydrophobicContact CH2-CD 4.24Å; W341-K379 HydrophobicContact CZ2-CD 3.95Å |
| 342 | D | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 4.5 Ų | 4.5 | 6% | 0.064 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -107 | -77.9 | 177.2 | -68.9 | -47.9 | 0 | 0 | 0 | 110.7 | I275 T344 P345 Q346 H378 R383 I398 | I275-D342 HydrophobicContact CG2-CB 4.4Å; I275-D342 WeakPolarHBondContact CG2-OD2 3.31Å; D342-T344 VanDerWaalsContact C-N 3.34Å; D342-T344 PolarHBondContact O-N 2.89Å; D342-P345 WeakPolarHBondContact O-CD 3.28Å; D342-P345 VanDerWaalsContact O-CG 3.26Å; D342-P345 WeakPolarHBondContact O-CG 3.38Å; D342-Q346 WeakPolarHBondContact O-CG 3.37Å; D342-Q346 PolarHBondContact O-N 2.94Å; D342-H378 IonicContact OD1-CE1 3.93Å; D342-H378 PolarHBondContact OD1-CE1 3.05Å; D342-H378 VanDerWaalsContact OD1-CE1 3.29Å; D342-H378 IonicContact OD1-ND1 3.9Å; D342-R383 IonicContact OD1-CZ 2.82Å; D342-R383 IonicContact OD1-NE 3.57Å; D342-R383 PolarHBondContact OD1-NE 2.95Å; D342-R383 IonicContact OD1-NH2 3.98Å; D342-R383 IonicContact OD2-CZ 3.56Å; D342-R383 IonicContact OD2-NE 3.97Å; D342-R383 PolarHBondContact OD2-NE 3.2Å; D342-R383 IonicContact OD2-NH2 3.54Å; D342-R383 PolarHBondContact OD2-NH2 3.4Å; D342-I398 HydrophobicContact CB-CG2 4.11Å |
| 343 | R | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 4.4 Ų | 4.4 | 5% | 0.053 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -71.7 | -28.8 | -175.9 | -63.2 | 164.9 | -81.8 | -161.1 | -2.3 | 114.1 | T240 V272 E273 C337 S338 T347 | T240-R343 WeakPolarHBondContact OG1-CB 3.17Å; V272-R343 HydrophobicContact CB-CB 4.43Å; V272-R343 HydrophobicContact CB-CG 4.11Å; V272-R343 HydrophobicContact CG1-CB 4.07Å; V272-R343 HydrophobicContact CG1-CG 3.55Å; V272-R343 WeakPolarHBondContact O-CD 3.48Å; V272-R343 PolarHBondContact O-NH1 3.32Å; E273-R343 WeakPolarHBondContact O-CD 3.27Å; C337-R343 HydrophobicContact CB-CB 3.77Å; S338-R343 PolarHBondContact OG-NH2 2.81Å; R343-T347 WeakPolarHBondContact O-CG2 3.34Å; R343-T347 PolarHBondContact O-N 3.23Å; R343-T347 PolarHBondContact O-OG1 3.45Å |
| 344 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.5 | -56.7 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111.3 | R203 V335 H336 C337 G340 D342 Q346 T347 V348 | R203-T344 HydrophobicContact CB-CG2 3.76Å; V335-T344 HydrophobicContact CG1-CG2 4.39Å; H336-T344 WeakPolarHBondContact CA-OG1 3.41Å; C337-T344 PolarHBondContact N-OG1 3.05Å; C337-T344 PolarHBondContact SG-OG1 2.89Å; C337-T344 VanDerWaalsContact SG-OG1 3.35Å; G340-T344 WeakPolarHBondContact CA-OG1 3.38Å; D342-T344 VanDerWaalsContact C-N 3.34Å; D342-T344 PolarHBondContact O-N 2.89Å; T344-Q346 VanDerWaalsContact C-N 3.29Å; T344-Q346 PolarHBondContact O-N 3.28Å; T344-T347 PolarHBondContact O-N 3.07Å; T344-T347 PolarHBondContact O-OG1 2.83Å; T344-V348 HydrophobicContact CG2-CG2 4.12Å; T344-V348 WeakPolarHBondContact O-CB 3.28Å; T344-V348 VanDerWaalsContact O-CG2 3.25Å; T344-V348 WeakPolarHBondContact O-CG2 3.5Å; T344-V348 PolarHBondContact O-N 2.72Å |
| 345 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.2 | -32.6 | 177.2 | 23.9 | -33.3 | 0 | 0 | 0 | 113.2 | W341 D342 S349 E372 W373 | W341-P345 WeakPolarHBondContact O-CG 3.45Å; D342-P345 WeakPolarHBondContact O-CD 3.28Å; D342-P345 VanDerWaalsContact O-CG 3.26Å; D342-P345 WeakPolarHBondContact O-CG 3.38Å; P345-S349 WeakPolarHBondContact O-CB 3.4Å; P345-S349 PolarHBondContact O-N 2.91Å; P345-S349 PolarHBondContact O-OG 2.89Å; P345-E372 HydrophobicContact CB-CB 4.5Å; P345-E372 WeakPolarHBondContact CB-O 3.29Å; P345-W373 HydrophobicContact CB-CD2 4.04Å; P345-W373 HydrophobicContact CB-CE3 4.32Å; P345-W373 HydrophobicContact CB-CG 4.43Å; P345-W373 HydrophobicContact CB-CZ2 4.36Å; P345-W373 HydrophobicContact CG-CE3 4.32Å; P345-W373 HydrophobicContact CG-CZ3 4.37Å |
| 346 | Q | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.1 | -55.7 | 172.8 | -68.8 | 178 | -50.3 | 0 | 0 | 111.8 | L316 D342 T344 L350 W373 I398 F402 | L316-Q346 HydrophobicContact CD2-CB 3.88Å; D342-Q346 WeakPolarHBondContact O-CG 3.37Å; D342-Q346 PolarHBondContact O-N 2.94Å; T344-Q346 VanDerWaalsContact C-N 3.29Å; T344-Q346 PolarHBondContact O-N 3.28Å; Q346-L350 WeakPolarHBondContact O-CB 3.34Å; Q346-L350 WeakPolarHBondContact O-CD1 3.43Å; Q346-L350 VanDerWaalsContact O-CG 3.24Å; Q346-L350 WeakPolarHBondContact O-CG 3.41Å; Q346-L350 PolarHBondContact O-N 3.37Å; Q346-L350 VanDerWaalsContact O-N 3.09Å; Q346-W373 HydrophobicContact CB-CH2 4.44Å; Q346-W373 HydrophobicContact CB-CZ2 4.48Å; Q346-W373 HydrophobicContact CG-CH2 3.49Å; Q346-W373 VanDerWaalsContact CG-CH2 3.49Å; Q346-W373 HydrophobicContact CG-CZ2 3.97Å; Q346-I398 HydrophobicContact CG-CG2 4.02Å; Q346-I398 PolarHBondContact NE2-O 2.88Å; Q346-F402 HydrophobicContact CG-CB 4.19Å |
| 347 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -74.8 | -38.4 | -173.7 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | T240 V272 L316 T319 R343 T344 A351 | T240-T347 HydrophobicContact CG2-CG2 3.99Å; T240-T347 WeakPolarHBondContact CG2-OG1 3.32Å; V272-T347 HydrophobicContact CG2-CG2 4.28Å; L316-T347 HydrophobicContact CD2-CG2 4.04Å; T319-T347 HydrophobicContact CG2-CG2 3.65Å; R343-T347 WeakPolarHBondContact O-CG2 3.34Å; R343-T347 PolarHBondContact O-N 3.23Å; R343-T347 PolarHBondContact O-OG1 3.45Å; T344-T347 PolarHBondContact O-N 3.07Å; T344-T347 PolarHBondContact O-OG1 2.83Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 2.89Å |
| 348 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I201 V335 T344 L350 A351 C352 E372 | I201-V348 HydrophobicContact CG2-CG1 4.17Å; I201-V348 HydrophobicContact CG2-CG2 4.03Å; V335-V348 HydrophobicContact CB-CG2 3.92Å; V335-V348 HydrophobicContact CG1-CG2 4.12Å; V335-V348 HydrophobicContact CG2-CG2 4.13Å; T344-V348 HydrophobicContact CG2-CG2 4.12Å; T344-V348 WeakPolarHBondContact O-CB 3.28Å; T344-V348 VanDerWaalsContact O-CG2 3.25Å; T344-V348 WeakPolarHBondContact O-CG2 3.5Å; T344-V348 PolarHBondContact O-N 2.72Å; V348-L350 PolarHBondContact O-N 3.34Å; V348-A351 PolarHBondContact O-N 3.22Å; V348-C352 WeakPolarHBondContact O-CB 3.46Å; V348-C352 PolarHBondContact O-N 3.24Å; V348-C352 PolarHBondContact O-SG 3.46Å; V348-E372 HydrophobicContact CG1-CG 4.28Å; V348-E372 WeakPolarHBondContact CG1-OE2 3.46Å |
| 349 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | P345 C352 I353 E372 W373 F402 | P345-S349 WeakPolarHBondContact O-CB 3.4Å; P345-S349 PolarHBondContact O-N 2.91Å; P345-S349 PolarHBondContact O-OG 2.89Å; S349-C352 WeakPolarHBondContact O-CB 3.49Å; S349-C352 PolarHBondContact O-N 3.39Å; S349-I353 WeakPolarHBondContact O-CG1 3.19Å; S349-I353 PolarHBondContact O-N 2.89Å; S349-E372 WeakPolarHBondContact OG-CB 3.39Å; S349-W373 PolarHBondContact OG-NE1 3.2Å; S349-F402 VanDerWaalsContact CB-CE2 3.5Å |
| 350 | L | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.2 | -72.2 | 167.6 | 0 | 0 | 0 | 111.5 | L316 L317 A320 Q346 V348 C352 I353 L354 F402 A405 V406 L409 | L316-L350 HydrophobicContact CB-CD1 3.88Å; L317-L350 HydrophobicContact CD2-CD2 4.34Å; A320-L350 HydrophobicContact CB-CB 3.37Å; A320-L350 HydrophobicContact CB-CD1 4.39Å; Q346-L350 WeakPolarHBondContact O-CB 3.34Å; Q346-L350 WeakPolarHBondContact O-CD1 3.43Å; Q346-L350 VanDerWaalsContact O-CG 3.24Å; Q346-L350 WeakPolarHBondContact O-CG 3.41Å; Q346-L350 PolarHBondContact O-N 3.37Å; Q346-L350 VanDerWaalsContact O-N 3.09Å; V348-L350 PolarHBondContact O-N 3.34Å; L350-C352 VanDerWaalsContact C-N 3.33Å; L350-C352 PolarHBondContact O-N 3.06Å; L350-I353 WeakPolarHBondContact O-CB 3.49Å; L350-I353 PolarHBondContact O-N 3.44Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 3.24Å; L350-F402 HydrophobicContact CD1-CD2 4.5Å; L350-F402 HydrophobicContact CD2-CD2 4.19Å; L350-F402 HydrophobicContact CD2-CE2 4.05Å; L350-F402 HydrophobicContact CG-CD2 3.97Å; L350-F402 HydrophobicContact CG-CE2 3.96Å; L350-A405 HydrophobicContact CD1-CB 3.77Å; L350-A405 HydrophobicContact CD2-CB 3.95Å; L350-A405 HydrophobicContact CG-CB 4.49Å; L350-V406 HydrophobicContact CD2-CG2 3.85Å; L350-L409 HydrophobicContact CD2-CD1 4.14Å |
| 351 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I201 A320 I323 T347 V348 I353 L354 L355 | I201-A351 HydrophobicContact CD1-CB 4Å; A320-A351 HydrophobicContact CB-CB 4.45Å; I323-A351 HydrophobicContact CB-CB 3.88Å; I323-A351 HydrophobicContact CG2-CB 3.67Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 2.89Å; V348-A351 PolarHBondContact O-N 3.22Å; A351-I353 PolarHBondContact O-N 2.96Å; A351-L354 PolarHBondContact O-N 3.2Å; A351-L355 WeakPolarHBondContact O-CB 3.18Å; A351-L355 WeakPolarHBondContact O-CD1 3.03Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.42Å; A351-L355 PolarHBondContact O-N 3.16Å |
| 352 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 173.2 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | V348 S349 L350 L354 L355 D356 Y359 L368 | V348-C352 WeakPolarHBondContact O-CB 3.46Å; V348-C352 PolarHBondContact O-N 3.24Å; V348-C352 PolarHBondContact O-SG 3.46Å; S349-C352 WeakPolarHBondContact O-CB 3.49Å; S349-C352 PolarHBondContact O-N 3.39Å; L350-C352 VanDerWaalsContact C-N 3.33Å; L350-C352 PolarHBondContact O-N 3.06Å; C352-L354 VanDerWaalsContact C-N 3.29Å; C352-L354 PolarHBondContact O-N 3.16Å; C352-L355 PolarHBondContact O-N 2.91Å; C352-L355 VanDerWaalsContact O-N 3.12Å; C352-D356 PolarHBondContact O-N 3.05Å; C352-Y359 HydrophobicContact CB-CD2 3.6Å; C352-Y359 HydrophobicContact CB-CE2 3.57Å; C352-Y359 HydrophobicContact CB-CG 4.48Å; C352-Y359 WeakPolarHBondContact O-CD2 3.46Å; C352-L368 HydrophobicContact CB-CD1 3.96Å; C352-L368 HydrophobicContact CB-CD2 4.41Å |
| 353 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 177.2 | -70 | 163.8 | 0 | 0 | 0 | 111.9 | S349 L350 A351 R360 F365 L368 F402 V406 L409 F417 | S349-I353 WeakPolarHBondContact O-CG1 3.19Å; S349-I353 PolarHBondContact O-N 2.89Å; L350-I353 WeakPolarHBondContact O-CB 3.49Å; L350-I353 PolarHBondContact O-N 3.44Å; A351-I353 PolarHBondContact O-N 2.96Å; I353-R360 HydrophobicContact CG2-CG 4.22Å; I353-R360 PolarHBondContact O-NE 3.49Å; I353-R360 PolarHBondContact O-NH2 2.93Å; I353-F365 HydrophobicContact CD1-CD2 4.04Å; I353-F365 HydrophobicContact CD1-CE2 3.74Å; I353-L368 HydrophobicContact CD1-CD2 3.95Å; I353-L368 HydrophobicContact CG1-CD2 3.71Å; I353-F402 HydrophobicContact CD1-CE2 4.33Å; I353-F402 HydrophobicContact CD1-CZ 4.24Å; I353-V406 HydrophobicContact CD1-CG2 3.9Å; I353-L409 HydrophobicContact CG2-CD1 3.94Å; I353-F417 HydrophobicContact CG2-CE1 3.65Å; I353-F417 HydrophobicContact CG2-CZ 3.85Å |
| 354 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.3 | -34.7 | 176.7 | -62.9 | 178.9 | 0 | 0 | 0 | 112.4 | A320 L350 A351 C352 R360 L409 L487 L488 P490 | A320-L354 HydrophobicContact CB-CD1 4.25Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 3.24Å; A351-L354 PolarHBondContact O-N 3.2Å; C352-L354 VanDerWaalsContact C-N 3.29Å; C352-L354 PolarHBondContact O-N 3.16Å; L354-R360 PolarHBondContact O-NH2 2.77Å; L354-L409 HydrophobicContact CD2-CD1 3.95Å; L354-L409 HydrophobicContact CD2-CD2 3.87Å; L354-L487 WeakPolarHBondContact O-CA 3.46Å; L354-L488 HydrophobicContact CD2-CB 3.76Å; L354-L488 PolarHBondContact O-N 3.2Å; L354-P490 HydrophobicContact CD1-CG 4.23Å; L354-P490 HydrophobicContact CD2-CG 4.25Å |
| 355 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -84.5 | -31.4 | -175.1 | -77.6 | 165.1 | 0 | 0 | 0 | 114.6 | Y192 Y194 I201 S324 V327 A351 C352 L487 | Y192-L355 HydrophobicContact CD1-CD1 4.15Å; Y192-L355 HydrophobicContact CE1-CB 4.1Å; Y192-L355 HydrophobicContact CE1-CD1 3.91Å; Y194-L355 HydrophobicContact CD2-CD2 4.19Å; Y194-L355 HydrophobicContact CE2-CD2 4.08Å; I201-L355 HydrophobicContact CD1-CD1 3.75Å; S324-L355 WeakPolarHBondContact O-CD2 3Å; S324-L355 WeakPolarHBondContact OG-CG 3.25Å; V327-L355 HydrophobicContact CB-CD1 4.05Å; V327-L355 HydrophobicContact CB-CD2 4.27Å; V327-L355 HydrophobicContact CG1-CD1 3.88Å; V327-L355 HydrophobicContact CG1-CD2 4.1Å; A351-L355 WeakPolarHBondContact O-CB 3.18Å; A351-L355 WeakPolarHBondContact O-CD1 3.03Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.42Å; A351-L355 PolarHBondContact O-N 3.16Å; C352-L355 PolarHBondContact O-N 2.91Å; C352-L355 VanDerWaalsContact O-N 3.12Å; L355-L487 HydrophobicContact CD2-CD2 3.94Å |
| 356 | D | 98.2 | Very high | 98.3 | Very high | 20 Ų | 20 | 12.2 Ų | 12.2 | 11% | 0.107 | 6% | 0.059 | C | C | . | . | trans | -134 | 113.9 | -167.7 | -166.8 | -19.6 | 0 | 0 | 0 | 111.5 | R137 Y192 C352 Y358 Y359 | R137-D356 IonicContact CZ-OD2 2.66Å; R137-D356 VanDerWaalsContact CZ-OD2 3.31Å; R137-D356 IonicContact NH1-OD1 3.64Å; R137-D356 IonicContact NH1-OD2 3.65Å; R137-D356 PolarHBondContact NH1-OD2 3.22Å; R137-D356 IonicContact NH2-OD2 3.94Å; R137-D356 PolarHBondContact NH2-OD2 2.69Å; Y192-D356 HydrophobicContact CE2-CB 4.07Å; Y192-D356 WeakPolarHBondContact OH-CB 3.37Å; C352-D356 PolarHBondContact O-N 3.05Å; D356-Y358 PolarHBondContact O-N 3.09Å; D356-Y358 VanDerWaalsContact O-N 3.13Å; D356-Y358 WeakPolarHBondContact OD1-CB 3.4Å; D356-Y358 PolarHBondContact OD1-N 2.84Å; D356-Y359 HydrophobicContact CB-CD2 3.62Å; D356-Y359 HydrophobicContact CB-CE2 3.79Å; D356-Y359 PolarHBondContact O-N 2.97Å | ||
| 357 | P | 98 | Very high | 98.3 | Very high | 22 Ų | 22 | 12.3 Ų | 12.3 | 14% | 0.143 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -58.4 | -23.9 | 176.4 | -24.1 | 34.9 | 0 | 0 | 0 | 113.7 | Y359 R360 V484 S485 | P357-Y359 VanDerWaalsContact C-N 3.27Å; P357-Y359 PolarHBondContact O-N 3.33Å; P357-R360 WeakPolarHBondContact O-CB 3.21Å; P357-R360 PolarHBondContact O-N 3.26Å; P357-V484 HydrophobicContact CB-CG2 4.03Å; P357-S485 WeakPolarHBondContact CG-O 3.21Å |
| 358 | Y | 97.7 | Very high | 98.2 | Very high | 55 Ų | 55 | 12.3 Ų | 12.3 | 22% | 0.216 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -54.5 | -44.5 | 176.2 | 172.6 | -108.5 | 0 | 0 | 0 | 111.6 | R137 D356 R360 T361 K363 G364 V367 | R137-Y358 VanDerWaalsContact NE-CE1 3.3Å; D356-Y358 PolarHBondContact O-N 3.09Å; D356-Y358 VanDerWaalsContact O-N 3.13Å; D356-Y358 WeakPolarHBondContact OD1-CB 3.4Å; D356-Y358 PolarHBondContact OD1-N 2.84Å; Y358-R360 PolarHBondContact O-N 3.36Å; Y358-R360 VanDerWaalsContact O-N 3.13Å; Y358-T361 WeakPolarHBondContact O-CB 3.35Å; Y358-T361 PolarHBondContact O-N 2.96Å; Y358-T361 PolarHBondContact O-OG1 3.05Å; Y358-K363 HydrophobicContact CE2-CG 4.48Å; Y358-G364 VanDerWaalsContact CZ-CA 3.47Å; Y358-G364 WeakPolarHBondContact O-CA 3.48Å; Y358-V367 HydrophobicContact CE1-CG1 4.39Å |
| 359 | Y | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -72.1 | -4.4 | -179 | -57.1 | -55.6 | 0 | 0 | 0 | 114.1 | D134 R137 Y192 C352 D356 P357 G364 F365 L368 | D134-Y359 VanDerWaalsContact CG-OH 3.31Å; D134-Y359 PolarHBondContact OD1-OH 3.37Å; D134-Y359 WeakPolarHBondContact OD2-CE1 3.48Å; D134-Y359 PolarHBondContact OD2-OH 3.44Å; R137-Y359 PolarHBondContact NH2-OH 2.85Å; Y192-Y359 AromaticContact CD2-CE2 3.87Å; Y192-Y359 HydrophobicContact CD2-CE2 3.87Å; Y192-Y359 AromaticContact CE2-CE2 3.73Å; Y192-Y359 HydrophobicContact CE2-CE2 3.73Å; C352-Y359 HydrophobicContact CB-CD2 3.6Å; C352-Y359 HydrophobicContact CB-CE2 3.57Å; C352-Y359 HydrophobicContact CB-CG 4.48Å; C352-Y359 WeakPolarHBondContact O-CD2 3.46Å; D356-Y359 HydrophobicContact CB-CD2 3.62Å; D356-Y359 HydrophobicContact CB-CE2 3.79Å; D356-Y359 PolarHBondContact O-N 2.97Å; P357-Y359 VanDerWaalsContact C-N 3.27Å; P357-Y359 PolarHBondContact O-N 3.33Å; Y359-G364 WeakPolarHBondContact CD1-O 3.33Å; Y359-F365 WeakPolarHBondContact O-CB 3.38Å; Y359-L368 HydrophobicContact CD1-CB 3.74Å; Y359-L368 HydrophobicContact CD1-CD1 4.16Å; Y359-L368 HydrophobicContact CD1-CD2 4.31Å; Y359-L368 HydrophobicContact CD1-CG 4.3Å; Y359-L368 HydrophobicContact CE1-CB 4.15Å; Y359-L368 HydrophobicContact CE1-CD1 4.06Å; Y359-L368 HydrophobicContact CG-CB 4.39Å; Y359-L368 HydrophobicContact CG-CD1 4.45Å; Y359-L368 HydrophobicContact CG-CD2 4.14Å |
| 360 | R | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -91.1 | -8.2 | 171.7 | -49.9 | -177.5 | -159.3 | 140.7 | 15.3 | 112.6 | I353 L354 P357 Y358 E416 F417 E418 S485 L488 | I353-R360 HydrophobicContact CG2-CG 4.22Å; I353-R360 PolarHBondContact O-NE 3.49Å; I353-R360 PolarHBondContact O-NH2 2.93Å; L354-R360 PolarHBondContact O-NH2 2.77Å; P357-R360 WeakPolarHBondContact O-CB 3.21Å; P357-R360 PolarHBondContact O-N 3.26Å; Y358-R360 PolarHBondContact O-N 3.36Å; Y358-R360 VanDerWaalsContact O-N 3.13Å; R360-E416 VanDerWaalsContact CB-O 3.25Å; R360-E416 WeakPolarHBondContact CB-O 3.33Å; R360-E416 WeakPolarHBondContact CD-O 3.38Å; R360-E416 IonicContact NH1-OE2 3.43Å; R360-E416 PolarHBondContact NH1-OE2 3.41Å; R360-F417 HydrophobicContact CB-CD1 3.72Å; R360-F417 HydrophobicContact CB-CE1 4.02Å; R360-F417 HydrophobicContact CB-CG 4.3Å; R360-F417 HydrophobicContact CG-CD1 4Å; R360-F417 HydrophobicContact CG-CE1 3.76Å; R360-F417 HydrophobicContact CG-CZ 4.26Å; R360-E418 PolarHBondContact O-N 3.19Å; R360-S485 PolarHBondContact NH1-O 2.84Å; R360-L488 VanDerWaalsContact CZ-CD1 3.47Å; R360-L488 VanDerWaalsContact NE-CD1 3.31Å |
| 361 | T | 97.9 | Very high | 98 | Very high | 30 Ų | 30 | 12.9 Ų | 12.9 | 18% | 0.184 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -78.2 | 155.6 | 167.9 | 71.6 | 0 | 0 | 0 | 0 | 110.2 | Y358 K363 G364 F365 E418 | Y358-T361 WeakPolarHBondContact O-CB 3.35Å; Y358-T361 PolarHBondContact O-N 2.96Å; Y358-T361 PolarHBondContact O-OG1 3.05Å; T361-K363 PolarHBondContact O-N 2.85Å; T361-G364 PolarHBondContact O-N 3.32Å; T361-G364 PolarHBondContact OG1-N 3.17Å; T361-F365 VanDerWaalsContact O-CB 3.27Å; T361-F365 WeakPolarHBondContact O-CB 3.47Å; T361-F365 PolarHBondContact O-N 2.9Å; T361-E418 VanDerWaalsContact CA-OE2 3.31Å; T361-E418 WeakPolarHBondContact CA-OE2 3.31Å; T361-E418 VanDerWaalsContact CB-OE2 3.25Å; T361-E418 WeakPolarHBondContact CB-OE2 3.38Å |
| 362 | I | 97.4 | Very high | 98 | Very high | 25 Ų | 25 | 12.9 Ų | 12.9 | 13% | 0.128 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55 | -47.5 | 172.5 | -72 | 167.3 | 0 | 0 | 0 | 109.3 | F365 Q366 E418 F419 Y423 | I362-F365 PolarHBondContact O-N 3.41Å; I362-Q366 VanDerWaalsContact O-CG 3.28Å; I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 3.39Å; I362-Q366 VanDerWaalsContact O-N 3.07Å; I362-E418 HydrophobicContact CD1-CG 4.14Å; I362-E418 HydrophobicContact CG1-CB 4.41Å; I362-E418 HydrophobicContact CG1-CG 4.14Å; I362-E418 PolarHBondContact N-OE2 3.28Å; I362-F419 HydrophobicContact CG1-CB 3.88Å; I362-Y423 HydrophobicContact CG1-CD2 4.45Å; I362-Y423 HydrophobicContact CG1-CE2 4.3Å; I362-Y423 HydrophobicContact CG2-CE2 3.91Å |
| 363 | K | 96.1 | Very high | 98 | Very high | 86 Ų | 86 | 12.9 Ų | 12.9 | 37% | 0.374 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -60.2 | -53.5 | -179.5 | 179.2 | 59.7 | 173.8 | -168.4 | 0 | 111.6 | D128 N129 Y358 T361 F365 Q366 V367 | D128-K363 VanDerWaalsContact C-NZ 3.32Å; D128-K363 PolarHBondContact O-NZ 3.46Å; N129-K363 WeakPolarHBondContact OD1-CD 2.99Å; N129-K363 WeakPolarHBondContact OD1-CE 3.43Å; N129-K363 PolarHBondContact OD1-NZ 3.35Å; Y358-K363 HydrophobicContact CE2-CG 4.48Å; T361-K363 PolarHBondContact O-N 2.85Å; K363-F365 VanDerWaalsContact C-N 3.34Å; K363-F365 PolarHBondContact O-N 2.89Å; K363-Q366 PolarHBondContact O-N 3.06Å; K363-V367 HydrophobicContact CD-CG2 4.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.49Å; K363-V367 PolarHBondContact O-N 3.36Å |
| 364 | G | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y358 Y359 T361 V367 L368 | Y358-G364 VanDerWaalsContact CZ-CA 3.47Å; Y358-G364 WeakPolarHBondContact O-CA 3.48Å; Y359-G364 WeakPolarHBondContact CD1-O 3.33Å; T361-G364 PolarHBondContact O-N 3.32Å; T361-G364 PolarHBondContact OG1-N 3.17Å; G364-V367 PolarHBondContact O-N 3.26Å; G364-L368 WeakPolarHBondContact O-CB 3.19Å; G364-L368 PolarHBondContact O-N 3.18Å |
| 365 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 176.5 | -168.6 | -113.7 | 0 | 0 | 0 | 112.5 | I353 Y359 T361 I362 K363 L368 I369 F402 L403 V406 F419 Y423 L424 L427 | I353-F365 HydrophobicContact CD1-CD2 4.04Å; I353-F365 HydrophobicContact CD1-CE2 3.74Å; Y359-F365 WeakPolarHBondContact O-CB 3.38Å; T361-F365 VanDerWaalsContact O-CB 3.27Å; T361-F365 WeakPolarHBondContact O-CB 3.47Å; T361-F365 PolarHBondContact O-N 2.9Å; I362-F365 PolarHBondContact O-N 3.41Å; K363-F365 VanDerWaalsContact C-N 3.34Å; K363-F365 PolarHBondContact O-N 2.89Å; F365-L368 PolarHBondContact O-N 3.39Å; F365-I369 HydrophobicContact CD1-CD1 3.75Å; F365-I369 HydrophobicContact CE1-CD1 3.55Å; F365-I369 HydrophobicContact CG-CD1 4.44Å; F365-I369 HydrophobicContact CZ-CD1 4.06Å; F365-I369 WeakPolarHBondContact O-CG1 3.47Å; F365-I369 PolarHBondContact O-N 3.22Å; F365-F402 HydrophobicContact CE2-CE1 4.08Å; F365-F402 AromaticContact CE2-CZ 3.79Å; F365-F402 HydrophobicContact CE2-CZ 3.79Å; F365-F402 AromaticContact CZ-CE1 3.86Å; F365-F402 HydrophobicContact CZ-CE1 3.86Å; F365-F402 HydrophobicContact CZ-CZ 4.05Å; F365-L403 HydrophobicContact CE1-CD2 4.47Å; F365-L403 HydrophobicContact CZ-CD2 4.24Å; F365-V406 HydrophobicContact CE2-CG1 4.06Å; F365-V406 HydrophobicContact CE2-CG2 3.98Å; F365-V406 HydrophobicContact CZ-CG1 4.1Å; F365-V406 HydrophobicContact CZ-CG2 4.14Å; F365-F419 HydrophobicContact CB-CD1 4.16Å; F365-F419 HydrophobicContact CB-CE1 3.64Å; F365-F419 HydrophobicContact CB-CZ 4.44Å; F365-F419 HydrophobicContact CD1-CD1 4.47Å; F365-F419 HydrophobicContact CD1-CE1 4.05Å; F365-F419 HydrophobicContact CD1-CZ 4.23Å; F365-F419 HydrophobicContact CD2-CE1 4Å; F365-F419 AromaticContact CD2-CZ 3.98Å; F365-F419 HydrophobicContact CD2-CZ 3.98Å; F365-F419 HydrophobicContact CE1-CZ 4.46Å; F365-F419 HydrophobicContact CE2-CZ 4.25Å; F365-F419 HydrophobicContact CG-CD1 4.36Å; F365-F419 AromaticContact CG-CE1 3.64Å; F365-F419 HydrophobicContact CG-CE1 3.64Å; F365-F419 AromaticContact CG-CZ 3.97Å; F365-F419 HydrophobicContact CG-CZ 3.97Å; F365-F419 HydrophobicContact CZ-CZ 4.48Å; F365-Y423 AromaticContact CD1-CE1 3.67Å; F365-Y423 HydrophobicContact CD1-CE1 3.67Å; F365-Y423 AromaticContact CE1-CE1 3.97Å; F365-Y423 HydrophobicContact CE1-CE1 3.97Å; F365-L424 HydrophobicContact CE1-CD2 3.8Å; F365-L424 HydrophobicContact CZ-CD2 3.92Å; F365-L427 HydrophobicContact CD1-CD1 4.3Å; F365-L427 HydrophobicContact CE1-CD1 3.61Å |
| 366 | Q | 97.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 13.2 Ų | 13.2 | 8% | 0.075 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.1 | -70 | 175.4 | -7.5 | 0 | 0 | 111.8 | N129 I362 K363 L368 I369 E370 Y423 W464 | N129-Q366 HydrophobicContact CB-CB 4.36Å; N129-Q366 PolarHBondContact ND2-OE1 2.77Å; I362-Q366 VanDerWaalsContact O-CG 3.28Å; I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 3.39Å; I362-Q366 VanDerWaalsContact O-N 3.07Å; K363-Q366 PolarHBondContact O-N 3.06Å; Q366-L368 VanDerWaalsContact C-N 3.3Å; Q366-L368 PolarHBondContact O-N 3.4Å; Q366-I369 PolarHBondContact O-N 2.74Å; Q366-E370 WeakPolarHBondContact O-CG 3.46Å; Q366-E370 PolarHBondContact O-N 2.83Å; Q366-Y423 WeakPolarHBondContact CG-OH 3.39Å; Q366-Y423 PolarHBondContact NE2-OH 3.02Å; Q366-W464 HydrophobicContact CB-CD2 4.43Å; Q366-W464 HydrophobicContact CG-CD2 4.08Å; Q366-W464 HydrophobicContact CG-CE3 3.72Å; Q366-W464 HydrophobicContact CG-CH2 4.27Å; Q366-W464 HydrophobicContact CG-CZ3 3.83Å |
| 367 | V | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | N129 D134 Y358 K363 G364 E370 K371 | N129-V367 HydrophobicContact CB-CG2 4.1Å; D134-V367 HydrophobicContact CB-CG1 3.51Å; Y358-V367 HydrophobicContact CE1-CG1 4.39Å; K363-V367 HydrophobicContact CD-CG2 4.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.49Å; K363-V367 PolarHBondContact O-N 3.36Å; G364-V367 PolarHBondContact O-N 3.26Å; V367-E370 PolarHBondContact O-N 2.74Å; V367-K371 WeakPolarHBondContact O-CB 3.22Å; V367-K371 PolarHBondContact O-N 3.23Å |
| 368 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 175 | -176.7 | 64.7 | 0 | 0 | 0 | 111.8 | C352 I353 Y359 G364 F365 Q366 E372 | C352-L368 HydrophobicContact CB-CD1 3.96Å; C352-L368 HydrophobicContact CB-CD2 4.41Å; I353-L368 HydrophobicContact CD1-CD2 3.95Å; I353-L368 HydrophobicContact CG1-CD2 3.71Å; Y359-L368 HydrophobicContact CD1-CB 3.74Å; Y359-L368 HydrophobicContact CD1-CD1 4.16Å; Y359-L368 HydrophobicContact CD1-CD2 4.31Å; Y359-L368 HydrophobicContact CD1-CG 4.3Å; Y359-L368 HydrophobicContact CE1-CB 4.15Å; Y359-L368 HydrophobicContact CE1-CD1 4.06Å; Y359-L368 HydrophobicContact CG-CB 4.39Å; Y359-L368 HydrophobicContact CG-CD1 4.45Å; Y359-L368 HydrophobicContact CG-CD2 4.14Å; G364-L368 WeakPolarHBondContact O-CB 3.19Å; G364-L368 PolarHBondContact O-N 3.18Å; F365-L368 PolarHBondContact O-N 3.39Å; Q366-L368 VanDerWaalsContact C-N 3.3Å; Q366-L368 PolarHBondContact O-N 3.4Å; L368-E372 HydrophobicContact CD1-CG 3.74Å; L368-E372 WeakPolarHBondContact O-CB 3.29Å; L368-E372 PolarHBondContact O-N 3.46Å |
| 369 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.3 | -49.5 | 175.5 | -67.8 | 163.3 | 0 | 0 | 0 | 110.4 | F365 Q366 K371 W373 L374 F399 L427 F439 W464 | F365-I369 HydrophobicContact CD1-CD1 3.75Å; F365-I369 HydrophobicContact CE1-CD1 3.55Å; F365-I369 HydrophobicContact CG-CD1 4.44Å; F365-I369 HydrophobicContact CZ-CD1 4.06Å; F365-I369 WeakPolarHBondContact O-CG1 3.47Å; F365-I369 PolarHBondContact O-N 3.22Å; Q366-I369 PolarHBondContact O-N 2.74Å; I369-K371 VanDerWaalsContact C-N 3.29Å; I369-K371 PolarHBondContact O-N 3.28Å; I369-W373 HydrophobicContact CG2-CB 4.38Å; I369-W373 WeakPolarHBondContact O-CA 3.4Å; I369-W373 VanDerWaalsContact O-CB 3.24Å; I369-W373 WeakPolarHBondContact O-CB 3.22Å; I369-W373 PolarHBondContact O-N 3.43Å; I369-L374 HydrophobicContact CG2-CD1 4.11Å; I369-L374 HydrophobicContact CG2-CG 4.46Å; I369-L374 PolarHBondContact O-N 2.87Å; I369-L374 VanDerWaalsContact O-N 3.12Å; I369-F399 HydrophobicContact CD1-CZ 3.94Å; I369-F399 HydrophobicContact CG1-CE2 4.29Å; I369-F399 HydrophobicContact CG1-CZ 4.05Å; I369-F399 HydrophobicContact CG2-CE2 4.25Å; I369-F399 HydrophobicContact CG2-CZ 4.02Å; I369-L427 HydrophobicContact CD1-CD1 3.97Å; I369-F439 HydrophobicContact CG2-CE1 3.82Å; I369-F439 HydrophobicContact CG2-CZ 4.24Å; I369-W464 HydrophobicContact CD1-CH2 4.3Å; I369-W464 HydrophobicContact CG2-CH2 4.32Å; I369-W464 HydrophobicContact CG2-CZ2 4.25Å |
| 370 | E | 96.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 10.8 Ų | 10.8 | 6% | 0.056 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -55.9 | -43.5 | 177 | -77 | -72.9 | 171.1 | 0 | 0 | 111.9 | N129 Q366 V367 L374 M375 R447 W464 | N129-E370 HydrophobicContact CB-CG 3.98Å; N129-E370 VanDerWaalsContact O-CB 3.26Å; N129-E370 WeakPolarHBondContact O-CB 3.31Å; N129-E370 WeakPolarHBondContact O-CG 3.2Å; Q366-E370 WeakPolarHBondContact O-CG 3.46Å; Q366-E370 PolarHBondContact O-N 2.83Å; V367-E370 PolarHBondContact O-N 2.74Å; E370-L374 HydrophobicContact CG-CD1 4.08Å; E370-L374 WeakPolarHBondContact O-CB 3.45Å; E370-L374 PolarHBondContact O-N 3.48Å; E370-L374 WeakPolarHBondContact OE1-CD1 3.43Å; E370-L374 WeakPolarHBondContact OE2-CD1 3.21Å; E370-M375 WeakPolarHBondContact O-CB 3.36Å; E370-M375 VanDerWaalsContact O-CG 3.31Å; E370-M375 WeakPolarHBondContact O-CG 3.49Å; E370-M375 PolarHBondContact O-N 2.98Å; E370-R447 IonicContact OE1-NH2 3.72Å; E370-R447 IonicContact OE2-CZ 2.88Å; E370-R447 IonicContact OE2-NH1 3.47Å; E370-R447 IonicContact OE2-NH2 3.23Å; E370-R447 PolarHBondContact OE2-NH2 2.93Å; E370-W464 HydrophobicContact CG-CZ2 4.48Å; E370-W464 PolarHBondContact OE1-NE1 2.84Å |
| 371 | K | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -73 | -67 | 177.9 | -171.7 | -179.7 | 62.7 | 168.1 | 0 | 112.2 | D134 Y135 S191 V367 I369 W373 M375 Y376 | D134-K371 HydrophobicContact CB-CD 4.27Å; D134-K371 WeakPolarHBondContact OD2-CE 3.48Å; D134-K371 IonicContact OD2-NZ 3.61Å; D134-K371 PolarHBondContact OD2-NZ 2.72Å; Y135-K371 HydrophobicContact CE1-CD 4.39Å; Y135-K371 HydrophobicContact CE2-CD 3.98Å; Y135-K371 HydrophobicContact CE2-CG 4.43Å; S191-K371 PolarHBondContact O-NZ 3.34Å; V367-K371 WeakPolarHBondContact O-CB 3.22Å; V367-K371 PolarHBondContact O-N 3.23Å; I369-K371 VanDerWaalsContact C-N 3.29Å; I369-K371 PolarHBondContact O-N 3.28Å; K371-W373 PolarHBondContact O-N 2.97Å; K371-M375 WeakPolarHBondContact O-CB 3.46Å; K371-Y376 HydrophobicContact CG-CD2 4.49Å; K371-Y376 HydrophobicContact CG-CE2 4.2Å; K371-Y376 VanDerWaalsContact O-CD2 3.23Å; K371-Y376 WeakPolarHBondContact O-CD2 3.25Å; K371-Y376 PolarHBondContact O-N 3.03Å |
| 372 | E | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -74.6 | -26.7 | -165.7 | -66.6 | -60.1 | 139.1 | 0 | 0 | 113.1 | S191 R203 P345 V348 S349 L368 | S191-E372 VanDerWaalsContact CB-OE1 3.27Å; S191-E372 WeakPolarHBondContact CB-OE1 3.26Å; S191-E372 PolarHBondContact OG-OE1 3.14Å; S191-E372 VanDerWaalsContact OG-OE1 3.07Å; S191-E372 PolarHBondContact OG-OE2 2.87Å; S191-E372 VanDerWaalsContact OG-OE2 3.06Å; R203-E372 WeakPolarHBondContact CD-OE2 3.2Å; R203-E372 IonicContact CZ-OE2 3.83Å; R203-E372 IonicContact NE-OE2 2.94Å; R203-E372 PolarHBondContact NH1-O 3.21Å; R203-E372 IonicContact NH1-OE2 3.98Å; R203-E372 PolarHBondContact NH1-OE2 3.34Å; P345-E372 HydrophobicContact CB-CB 4.5Å; P345-E372 WeakPolarHBondContact CB-O 3.29Å; V348-E372 HydrophobicContact CG1-CG 4.28Å; V348-E372 WeakPolarHBondContact CG1-OE2 3.46Å; S349-E372 WeakPolarHBondContact OG-CB 3.39Å; L368-E372 HydrophobicContact CD1-CG 3.74Å; L368-E372 WeakPolarHBondContact O-CB 3.29Å; L368-E372 PolarHBondContact O-N 3.46Å |
| 373 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -102.4 | -49.3 | -177.2 | -63 | 77.6 | 0 | 0 | 0 | 111.8 | P345 Q346 S349 I369 K371 G377 H378 F380 I398 F399 F402 | P345-W373 HydrophobicContact CB-CD2 4.04Å; P345-W373 HydrophobicContact CB-CE3 4.32Å; P345-W373 HydrophobicContact CB-CG 4.43Å; P345-W373 HydrophobicContact CB-CZ2 4.36Å; P345-W373 HydrophobicContact CG-CE3 4.32Å; P345-W373 HydrophobicContact CG-CZ3 4.37Å; Q346-W373 HydrophobicContact CB-CH2 4.44Å; Q346-W373 HydrophobicContact CB-CZ2 4.48Å; Q346-W373 HydrophobicContact CG-CH2 3.49Å; Q346-W373 VanDerWaalsContact CG-CH2 3.49Å; Q346-W373 HydrophobicContact CG-CZ2 3.97Å; S349-W373 PolarHBondContact OG-NE1 3.2Å; I369-W373 HydrophobicContact CG2-CB 4.38Å; I369-W373 WeakPolarHBondContact O-CA 3.4Å; I369-W373 VanDerWaalsContact O-CB 3.24Å; I369-W373 WeakPolarHBondContact O-CB 3.22Å; I369-W373 PolarHBondContact O-N 3.43Å; K371-W373 PolarHBondContact O-N 2.97Å; W373-G377 PolarHBondContact O-N 3.3Å; W373-H378 HydrophobicContact CB-CB 4.37Å; W373-H378 HydrophobicContact CE3-CB 3.77Å; W373-H378 AromaticContact CE3-CD2 3.67Å; W373-H378 AromaticContact CE3-CG 3.5Å; W373-H378 VanDerWaalsContact CE3-CG 3.5Å; W373-H378 AromaticContact CE3-ND1 3.95Å; W373-H378 AromaticContact CZ3-CD2 3.88Å; W373-H378 AromaticContact CZ3-CE1 3.88Å; W373-H378 AromaticContact CZ3-CG 3.81Å; W373-H378 AromaticContact CZ3-ND1 3.81Å; W373-H378 AromaticContact CZ3-NE2 3.92Å; W373-H378 VanDerWaalsContact O-CB 3.31Å; W373-H378 WeakPolarHBondContact O-CB 3.38Å; W373-H378 PolarHBondContact O-N 3.16Å; W373-F380 HydrophobicContact CB-CE2 3.87Å; W373-F380 HydrophobicContact CB-CZ 3.9Å; W373-F380 HydrophobicContact CE3-CZ 4.15Å; W373-I398 HydrophobicContact CH2-CG2 4.31Å; W373-I398 HydrophobicContact CZ3-CG2 4.17Å; W373-F399 AromaticContact CD2-CD2 3.56Å; W373-F399 HydrophobicContact CD2-CD2 3.56Å; W373-F399 AromaticContact CD2-CE2 3.67Å; W373-F399 HydrophobicContact CD2-CE2 3.67Å; W373-F399 AromaticContact CE2-CD2 3.79Å; W373-F399 AromaticContact CE2-CE2 3.8Å; W373-F399 AromaticContact CE3-CD2 3.46Å; W373-F399 HydrophobicContact CE3-CD2 3.46Å; W373-F399 VanDerWaalsContact CE3-CD2 3.46Å; W373-F399 HydrophobicContact CE3-CE2 4.05Å; W373-F399 HydrophobicContact CE3-CG 4.49Å; W373-F399 HydrophobicContact CG-CD2 4.27Å; W373-F399 AromaticContact CG-CE2 3.94Å; W373-F399 HydrophobicContact CG-CE2 3.94Å; W373-F399 AromaticContact CH2-CD2 3.74Å; W373-F399 HydrophobicContact CH2-CD2 3.74Å; W373-F399 AromaticContact CZ2-CD2 3.89Å; W373-F399 HydrophobicContact CZ2-CD2 3.89Å; W373-F399 HydrophobicContact CZ2-CE2 4.24Å; W373-F399 HydrophobicContact CZ3-CB 4.17Å; W373-F399 AromaticContact CZ3-CD2 3.56Å; W373-F399 HydrophobicContact CZ3-CD2 3.56Å; W373-F399 HydrophobicContact CZ3-CE2 4.47Å; W373-F399 HydrophobicContact CZ3-CG 4.36Å; W373-F402 HydrophobicContact CH2-CB 3.72Å; W373-F402 HydrophobicContact CH2-CD1 4.38Å; W373-F402 HydrophobicContact CH2-CG 4.08Å; W373-F402 HydrophobicContact CZ2-CB 3.57Å; W373-F402 AromaticContact CZ2-CD1 3.61Å; W373-F402 HydrophobicContact CZ2-CD1 3.61Å; W373-F402 AromaticContact CZ2-CD2 3.85Å; W373-F402 HydrophobicContact CZ2-CD2 3.85Å; W373-F402 HydrophobicContact CZ2-CE1 4.23Å; W373-F402 HydrophobicContact CZ2-CE2 4.44Å; W373-F402 AromaticContact CZ2-CG 3.39Å; W373-F402 HydrophobicContact CZ2-CG 3.39Å; W373-F402 AromaticContact NE1-CE1 3.99Å |
| 374 | L | 96 | Very high | 97.1 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -85.5 | -51.6 | -170.3 | -57.9 | 167.4 | 0 | 0 | 0 | 112 | I369 E370 Y376 G377 F380 T438 F439 R447 | I369-L374 HydrophobicContact CG2-CD1 4.11Å; I369-L374 HydrophobicContact CG2-CG 4.46Å; I369-L374 PolarHBondContact O-N 2.87Å; I369-L374 VanDerWaalsContact O-N 3.12Å; E370-L374 HydrophobicContact CG-CD1 4.08Å; E370-L374 WeakPolarHBondContact O-CB 3.45Å; E370-L374 PolarHBondContact O-N 3.48Å; E370-L374 WeakPolarHBondContact OE1-CD1 3.43Å; E370-L374 WeakPolarHBondContact OE2-CD1 3.21Å; L374-Y376 PolarHBondContact O-N 3.47Å; L374-G377 PolarHBondContact O-N 3.32Å; L374-F380 HydrophobicContact CD2-CD2 3.64Å; L374-F380 HydrophobicContact CD2-CE2 3.26Å; L374-F380 HydrophobicContact CD2-CZ 4.08Å; L374-F380 HydrophobicContact CG-CE2 4.18Å; L374-T438 HydrophobicContact CD1-CG2 4.05Å; L374-T438 WeakPolarHBondContact CD2-O 3.46Å; L374-F439 HydrophobicContact CD1-CE1 4.24Å; L374-F439 HydrophobicContact CD2-CD1 3.88Å; L374-F439 HydrophobicContact CD2-CE1 4.23Å; L374-R447 VanDerWaalsContact CB-NH1 3.29Å |
| 375 | M | 95.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.02 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -65.2 | -40.4 | 178.1 | -73.1 | 174.6 | 60.1 | 0 | 0 | 112.4 | G131 Y132 P161 E370 K371 G377 H444 | G131-M375 WeakPolarHBondContact CA-SD 3.44Å; Y132-M375 HydrophobicContact CD1-CE 3.93Å; Y132-M375 HydrophobicContact CD2-CE 3.96Å; Y132-M375 HydrophobicContact CE1-CE 3.58Å; Y132-M375 HydrophobicContact CE2-CE 3.64Å; Y132-M375 HydrophobicContact CG-CE 4.11Å; Y132-M375 VanDerWaalsContact CZ-CE 3.44Å; P161-M375 HydrophobicContact CB-CB 4.29Å; P161-M375 HydrophobicContact CB-CE 3.92Å; P161-M375 WeakPolarHBondContact CD-O 3.21Å; P161-M375 HydrophobicContact CG-CB 4.45Å; P161-M375 HydrophobicContact CG-CE 4.15Å; E370-M375 WeakPolarHBondContact O-CB 3.36Å; E370-M375 VanDerWaalsContact O-CG 3.31Å; E370-M375 WeakPolarHBondContact O-CG 3.49Å; E370-M375 PolarHBondContact O-N 2.98Å; K371-M375 WeakPolarHBondContact O-CB 3.46Å; M375-G377 VanDerWaalsContact C-N 3.28Å; M375-G377 PolarHBondContact O-N 2.78Å; M375-H444 WeakPolarHBondContact O-CB 3Å |
| 376 | Y | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 18.1 | 179.2 | -74.2 | -71.4 | 0 | 0 | 0 | 114.5 | Y135 G159 Y160 P161 R186 V189 K371 L374 | Y135-Y376 WeakPolarHBondContact OH-CE2 3.38Å; Y135-Y376 PolarHBondContact OH-OH 3.06Å; G159-Y376 CarbonylContact O-C 3.59Å; Y160-Y376 AromaticContact CD1-CD1 3.64Å; Y160-Y376 HydrophobicContact CD1-CD1 3.64Å; Y160-Y376 HydrophobicContact CD1-CE1 4.21Å; Y160-Y376 AromaticContact CE1-CD1 3.81Å; Y160-Y376 HydrophobicContact CE1-CD1 3.81Å; Y160-Y376 HydrophobicContact CE1-CE1 4.35Å; Y160-Y376 HydrophobicContact CG-CD1 4.16Å; Y160-Y376 HydrophobicContact CG-CE1 4.33Å; P161-Y376 VanDerWaalsContact CD-CE1 3.5Å; P161-Y376 HydrophobicContact CG-CD1 4.34Å; P161-Y376 HydrophobicContact CG-CE1 3.92Å; R186-Y376 PolarHBondContact NH1-O 2.87Å; R186-Y376 PolarHBondContact NH2-O 2.85Å; V189-Y376 HydrophobicContact CG2-CE1 3.66Å; K371-Y376 HydrophobicContact CG-CD2 4.49Å; K371-Y376 HydrophobicContact CG-CE2 4.2Å; K371-Y376 VanDerWaalsContact O-CD2 3.23Å; K371-Y376 WeakPolarHBondContact O-CD2 3.25Å; K371-Y376 PolarHBondContact O-N 3.03Å; L374-Y376 PolarHBondContact O-N 3.47Å |
| 377 | G | 96.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 48.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G159 W341 W373 L374 M375 N442 | G159-G377 PolarHBondContact O-N 2.96Å; W341-G377 WeakPolarHBondContact CB-O 3.32Å; W373-G377 PolarHBondContact O-N 3.3Å; L374-G377 PolarHBondContact O-N 3.32Å; M375-G377 VanDerWaalsContact C-N 3.28Å; M375-G377 PolarHBondContact O-N 2.78Å; G377-N442 CarbonylContact C-O 3.58Å |
| 378 | H | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | trans | -63.2 | 132.4 | 158.2 | -177.7 | 65.5 | 0 | 0 | 0 | 109.3 | W341 D342 W373 F380 | W341-H378 PolarHBondContact O-ND1 3.4Å; D342-H378 IonicContact OD1-CE1 3.93Å; D342-H378 PolarHBondContact OD1-CE1 3.05Å; D342-H378 VanDerWaalsContact OD1-CE1 3.29Å; D342-H378 IonicContact OD1-ND1 3.9Å; W373-H378 HydrophobicContact CB-CB 4.37Å; W373-H378 HydrophobicContact CE3-CB 3.77Å; W373-H378 AromaticContact CE3-CD2 3.67Å; W373-H378 AromaticContact CE3-CG 3.5Å; W373-H378 VanDerWaalsContact CE3-CG 3.5Å; W373-H378 AromaticContact CE3-ND1 3.95Å; W373-H378 AromaticContact CZ3-CD2 3.88Å; W373-H378 AromaticContact CZ3-CE1 3.88Å; W373-H378 AromaticContact CZ3-CG 3.81Å; W373-H378 AromaticContact CZ3-ND1 3.81Å; W373-H378 AromaticContact CZ3-NE2 3.92Å; W373-H378 VanDerWaalsContact O-CB 3.31Å; W373-H378 WeakPolarHBondContact O-CB 3.38Å; W373-H378 PolarHBondContact O-N 3.16Å; H378-F380 VanDerWaalsContact C-N 3.26Å; H378-F380 HydrophobicContact CB-CD2 4.18Å; H378-F380 HydrophobicContact CB-CE2 3.92Å; H378-F380 AromaticContact CD2-CD1 3.79Å; H378-F380 AromaticContact CD2-CD2 3.73Å; H378-F380 AromaticContact CD2-CE1 3.79Å; H378-F380 AromaticContact CD2-CE2 3.69Å; H378-F380 AromaticContact CD2-CG 3.77Å; H378-F380 AromaticContact CD2-CZ 3.75Å; H378-F380 WeakPolarHBondContact O-CD2 3.41Å; H378-F380 PolarHBondContact O-N 3.16Å | ||
| 379 | K | 97 | Very high | 95 | Very high | 41 Ų | 41 | 18.6 Ų | 18.6 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | trans | -80.4 | 64.9 | -172.4 | -59.8 | -169 | 72.7 | -164.6 | 0 | 112.3 | W341 S381 D382 R383 N442 | W341-K379 HydrophobicContact CD2-CD 4.46Å; W341-K379 HydrophobicContact CH2-CD 4.24Å; W341-K379 HydrophobicContact CZ2-CD 3.95Å; K379-S381 PolarHBondContact O-N 2.68Å; K379-D382 HydrophobicContact CB-CB 4.22Å; K379-D382 WeakPolarHBondContact CE-OD2 3.39Å; K379-D382 IonicContact NZ-OD2 2.58Å; K379-D382 PolarHBondContact NZ-OD2 3.46Å; K379-D382 PolarHBondContact O-N 3.22Å; K379-R383 HydrophobicContact CB-CG 4.41Å; K379-R383 WeakPolarHBondContact O-CB 3.39Å; K379-R383 WeakPolarHBondContact O-CG 3.31Å; K379-R383 PolarHBondContact O-N 2.77Å; K379-N442 WeakPolarHBondContact CA-OD1 3.5Å; K379-N442 HydrophobicContact CB-CB 4.17Å; K379-N442 WeakPolarHBondContact CB-OD1 3.1Å; K379-N442 HydrophobicContact CG-CB 4.27Å; K379-N442 PolarHBondContact O-OD1 3.4Å | ||
| 380 | F | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.9 | -46.8 | -172.7 | -79.8 | -81.3 | 0 | 0 | 0 | 113.6 | W373 L374 H378 D382 R383 C384 F399 L431 F439 N442 | W373-F380 HydrophobicContact CB-CE2 3.87Å; W373-F380 HydrophobicContact CB-CZ 3.9Å; W373-F380 HydrophobicContact CE3-CZ 4.15Å; L374-F380 HydrophobicContact CD2-CD2 3.64Å; L374-F380 HydrophobicContact CD2-CE2 3.26Å; L374-F380 HydrophobicContact CD2-CZ 4.08Å; L374-F380 HydrophobicContact CG-CE2 4.18Å; H378-F380 VanDerWaalsContact C-N 3.26Å; H378-F380 HydrophobicContact CB-CD2 4.18Å; H378-F380 HydrophobicContact CB-CE2 3.92Å; H378-F380 AromaticContact CD2-CD1 3.79Å; H378-F380 AromaticContact CD2-CD2 3.73Å; H378-F380 AromaticContact CD2-CE1 3.79Å; H378-F380 AromaticContact CD2-CE2 3.69Å; H378-F380 AromaticContact CD2-CG 3.77Å; H378-F380 AromaticContact CD2-CZ 3.75Å; H378-F380 WeakPolarHBondContact O-CD2 3.41Å; H378-F380 PolarHBondContact O-N 3.16Å; F380-D382 VanDerWaalsContact C-N 3.34Å; F380-D382 PolarHBondContact O-N 3.21Å; F380-R383 PolarHBondContact O-N 3.39Å; F380-C384 WeakPolarHBondContact O-CB 3.5Å; F380-C384 PolarHBondContact O-N 2.76Å; F380-C384 PolarHBondContact O-SG 3.34Å; F380-C384 VanDerWaalsContact O-SG 3.33Å; F380-F399 HydrophobicContact CE1-CB 3.95Å; F380-F399 HydrophobicContact CE1-CD1 4.08Å; F380-F399 AromaticContact CE1-CD2 3.93Å; F380-F399 HydrophobicContact CE1-CD2 3.93Å; F380-F399 HydrophobicContact CE1-CE2 4.43Å; F380-F399 AromaticContact CE1-CG 3.72Å; F380-F399 HydrophobicContact CE1-CG 3.72Å; F380-F399 AromaticContact CZ-CD2 3.92Å; F380-F399 HydrophobicContact CZ-CD2 3.92Å; F380-F399 HydrophobicContact CZ-CE2 4.16Å; F380-F399 HydrophobicContact CZ-CG 4.2Å; F380-L431 HydrophobicContact CD1-CD1 3.44Å; F380-L431 VanDerWaalsContact CD1-CD1 3.44Å; F380-L431 HydrophobicContact CE1-CD1 3.56Å; F380-F439 WeakPolarHBondContact CB-O 3.49Å; F380-F439 HydrophobicContact CD1-CB 4.13Å; F380-F439 AromaticContact CD1-CD1 3.99Å; F380-F439 HydrophobicContact CD1-CD1 3.99Å; F380-F439 HydrophobicContact CD1-CG 4.36Å; F380-F439 HydrophobicContact CD2-CD1 4.41Å; F380-F439 AromaticContact CE1-CD1 3.62Å; F380-F439 HydrophobicContact CE1-CD1 3.62Å; F380-F439 HydrophobicContact CE1-CE1 4.13Å; F380-F439 HydrophobicContact CE1-CG 4.31Å; F380-F439 HydrophobicContact CE2-CD1 4.09Å; F380-F439 HydrophobicContact CG-CB 4.32Å; F380-F439 HydrophobicContact CG-CD1 4.36Å; F380-F439 AromaticContact CZ-CD1 3.67Å; F380-F439 HydrophobicContact CZ-CD1 3.67Å; F380-F439 AromaticContact CZ-CE1 3.96Å; F380-F439 HydrophobicContact CZ-CE1 3.96Å; F380-N442 PolarHBondContact N-OD1 2.97Å |
| 381 | S | 95.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -47.4 | 179.4 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | K379 A385 H386 L440 N442 | K379-S381 PolarHBondContact O-N 2.68Å; S381-A385 WeakPolarHBondContact O-CA 3.49Å; S381-A385 PolarHBondContact O-N 3.01Å; S381-H386 VanDerWaalsContact CA-CD2 3.5Å; S381-H386 WeakPolarHBondContact CA-CD2 3.33Å; S381-H386 PolarHBondContact O-N 3.04Å; S381-L440 WeakPolarHBondContact CB-O 3.35Å; S381-N442 WeakPolarHBondContact CB-OD1 3.44Å; S381-N442 PolarHBondContact N-OD1 3.38Å |
| 382 | D | 95.3 | Very high | 92 | Very high | 48 Ų | 48 | 30 Ų | 30 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.4 | -42.7 | -178.5 | -67.5 | 6.1 | 0 | 0 | 0 | 111.7 | K379 F380 C384 E394 N442 | K379-D382 HydrophobicContact CB-CB 4.22Å; K379-D382 WeakPolarHBondContact CE-OD2 3.39Å; K379-D382 IonicContact NZ-OD2 2.58Å; K379-D382 PolarHBondContact NZ-OD2 3.46Å; K379-D382 PolarHBondContact O-N 3.22Å; F380-D382 VanDerWaalsContact C-N 3.34Å; F380-D382 PolarHBondContact O-N 3.21Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.21Å; D382-E394 HydrophobicContact CB-CB 4.19Å; D382-N442 VanDerWaalsContact CG-ND2 3.31Å; D382-N442 PolarHBondContact N-OD1 3.42Å; D382-N442 VanDerWaalsContact N-OD1 3.08Å; D382-N442 PolarHBondContact OD1-ND2 2.82Å |
| 383 | R | 96.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.8 | -32.5 | -177.5 | -65.4 | -71.2 | 173.2 | -88.5 | 3.2 | 112 | D342 K379 F380 E394 V395 A396 | D342-R383 IonicContact OD1-CZ 2.82Å; D342-R383 IonicContact OD1-NE 3.57Å; D342-R383 PolarHBondContact OD1-NE 2.95Å; D342-R383 IonicContact OD1-NH2 3.98Å; D342-R383 IonicContact OD2-CZ 3.56Å; D342-R383 IonicContact OD2-NE 3.97Å; D342-R383 PolarHBondContact OD2-NE 3.2Å; D342-R383 IonicContact OD2-NH2 3.54Å; D342-R383 PolarHBondContact OD2-NH2 3.4Å; K379-R383 HydrophobicContact CB-CG 4.41Å; K379-R383 WeakPolarHBondContact O-CB 3.39Å; K379-R383 WeakPolarHBondContact O-CG 3.31Å; K379-R383 PolarHBondContact O-N 2.77Å; F380-R383 PolarHBondContact O-N 3.39Å; R383-E394 WeakPolarHBondContact CD-O 3.41Å; R383-E394 IonicContact CZ-OE2 3.55Å; R383-E394 PolarHBondContact NH1-O 3.26Å; R383-E394 IonicContact NH1-OE2 2.73Å; R383-E394 PolarHBondContact NH1-OE2 2.85Å; R383-E394 IonicContact NH2-OE2 2.7Å; R383-E394 PolarHBondContact NH2-OE2 2.83Å; R383-V395 WeakPolarHBondContact O-CG1 3.49Å; R383-A396 PolarHBondContact O-N 3.2Å |
| 384 | C | 95 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -102.1 | 1.4 | -176.8 | -56.7 | 0 | 0 | 0 | 0 | 114 | F380 D382 H386 Y432 | F380-C384 WeakPolarHBondContact O-CB 3.5Å; F380-C384 PolarHBondContact O-N 2.76Å; F380-C384 PolarHBondContact O-SG 3.34Å; F380-C384 VanDerWaalsContact O-SG 3.33Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.21Å; C384-H386 VanDerWaalsContact C-N 3.34Å; C384-H386 WeakPolarHBondContact CB-CE1 3.48Å; C384-H386 PolarHBondContact O-N 2.78Å; C384-Y432 HydrophobicContact CB-CD1 3.88Å; C384-Y432 HydrophobicContact CB-CE1 3.66Å |
| 385 | A | 94 | Very high | 91.5 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 52.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K74 S381 V395 | K74-A385 PolarHBondContact NZ-O 3.24Å; S381-A385 WeakPolarHBondContact O-CA 3.49Å; S381-A385 PolarHBondContact O-N 3.01Å; A385-V395 HydrophobicContact CB-CG2 3.82Å |
| 386 | H | 93 | Very high | 91.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -67.3 | -48.4 | 176.6 | -66 | -24.4 | 0 | 0 | 0 | 110.4 | P102 L108 S381 C384 L431 C434 F439 | P102-H386 WeakPolarHBondContact CG-O 3.42Å; L108-H386 HydrophobicContact CD1-CB 4.07Å; L108-H386 WeakPolarHBondContact CD2-O 3.43Å; S381-H386 VanDerWaalsContact CA-CD2 3.5Å; S381-H386 WeakPolarHBondContact CA-CD2 3.33Å; S381-H386 PolarHBondContact O-N 3.04Å; C384-H386 VanDerWaalsContact C-N 3.34Å; C384-H386 WeakPolarHBondContact CB-CE1 3.48Å; C384-H386 PolarHBondContact O-N 2.78Å; H386-L431 PolarHBondContact CE1-O 3.47Å; H386-C434 PolarHBondContact ND1-SG 2.69Å; H386-F439 PolarHBondContact CD2-O 3.25Å; H386-F439 PolarHBondContact NE2-O 3.47Å |
| 387 | V | 91.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 21% | 0.212 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -98.9 | 137.3 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 109 | S103 I105 S389 | S103-V387 VanDerWaalsContact O-CG1 3.3Å; S103-V387 WeakPolarHBondContact O-CG1 3.41Å; I105-V387 HydrophobicContact CG1-CG2 3.64Å; V387-S389 PolarHBondContact O-N 3.06Å |
| 388 | Y | 85.9 | Confident | 91.6 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 45% | 0.451 | 24% | 0.237 | S | C | . | . | trans | -67 | 125.5 | 177.6 | 178.2 | -101.9 | 0 | 0 | 0 | 110.7 | R101 P102 | R101-Y388 HydrophobicContact CB-CD1 4.38Å; R101-Y388 HydrophobicContact CB-CD2 3.94Å; R101-Y388 HydrophobicContact CB-CG 3.75Å; R101-Y388 VanDerWaalsContact CD-CE2 3.48Å; R101-Y388 HydrophobicContact CG-CD2 3.52Å; R101-Y388 HydrophobicContact CG-CE2 4Å; R101-Y388 HydrophobicContact CG-CG 3.9Å; R101-Y388 PolarHBondContact NH1-OH 2.92Å; P102-Y388 WeakPolarHBondContact O-CB 3.45Å; P102-Y388 PolarHBondContact O-N 3.26Å | ||
| 389 | S | 82 | Confident | 91.6 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | trans | -122.9 | 137.6 | 169.4 | 175.2 | 0 | 0 | 0 | 0 | 108.7 | V387 D391 | V387-S389 PolarHBondContact O-N 3.06Å; S389-D391 PolarHBondContact O-N 2.87Å; S389-D391 PolarHBondContact OG-N 3.3Å | ||
| 390 | A | 71.4 | Confident | 91.7 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -61 | -25.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S392 | A390-S392 PolarHBondContact O-N 3.18Š|
| 391 | D | 75.8 | Confident | 91.8 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | trans | -91.5 | 97.7 | 173.4 | -168.9 | 2.6 | 0 | 0 | 0 | 111.4 | S389 K393 | S389-D391 PolarHBondContact O-N 2.87Å; S389-D391 PolarHBondContact OG-N 3.3Å; D391-K393 PolarHBondContact O-N 3.44Å; D391-K393 WeakPolarHBondContact OD1-CB 3.33Å; D391-K393 WeakPolarHBondContact OD1-CD 3.46Å; D391-K393 WeakPolarHBondContact OD1-CG 3.46Å; D391-K393 PolarHBondContact OD1-N 2.89Å | ||
| 392 | S | 82.7 | Confident | 91.9 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 57% | 0.573 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -76.3 | 0.1 | 176.4 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | R279 A390 E394 V395 | R279-S392 PolarHBondContact NH1-O 3.28Å; A390-S392 PolarHBondContact O-N 3.18Å; S392-E394 PolarHBondContact O-N 3.01Å; S392-V395 PolarHBondContact O-N 3.33Å |
| 393 | K | 92 | Very high | 92.1 | Very high | 128 Ų | 128 | 36.9 Ų | 36.9 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -66 | -24.2 | -174.9 | -69.8 | 171.3 | -172.7 | 170.2 | 0 | 114 | H276 R279 D391 | H276-K393 PolarHBondContact CE1-O 3.07Å; H276-K393 PolarHBondContact ND1-O 3.12Å; R279-K393 PolarHBondContact NH1-O 3.45Å; R279-K393 VanDerWaalsContact NH1-O 3.08Å; D391-K393 PolarHBondContact O-N 3.44Å; D391-K393 WeakPolarHBondContact OD1-CB 3.33Å; D391-K393 WeakPolarHBondContact OD1-CD 3.46Å; D391-K393 WeakPolarHBondContact OD1-CG 3.46Å; D391-K393 PolarHBondContact OD1-N 2.89Å |
| 394 | E | 94.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -80.6 | -15.9 | -179.9 | -70.7 | -63.4 | 125.2 | 0 | 0 | 114.2 | D382 R383 S392 A396 | D382-E394 HydrophobicContact CB-CB 4.19Å; R383-E394 WeakPolarHBondContact CD-O 3.41Å; R383-E394 IonicContact CZ-OE2 3.55Å; R383-E394 PolarHBondContact NH1-O 3.26Å; R383-E394 IonicContact NH1-OE2 2.73Å; R383-E394 PolarHBondContact NH1-OE2 2.85Å; R383-E394 IonicContact NH2-OE2 2.7Å; R383-E394 PolarHBondContact NH2-OE2 2.83Å; S392-E394 PolarHBondContact O-N 3.01Å; E394-A396 PolarHBondContact O-N 2.87Å |
| 395 | V | 94.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | trans | -70 | 127.4 | -178.9 | -177.3 | 0 | 0 | 0 | 0 | 110 | R279 R383 A385 S392 | R279-V395 VanDerWaalsContact CD-O 3.31Å; R279-V395 WeakPolarHBondContact CD-O 2.9Å; R279-V395 PolarHBondContact NH1-O 3.44Å; R383-V395 WeakPolarHBondContact O-CG1 3.49Å; A385-V395 HydrophobicContact CB-CG2 3.82Å; S392-V395 PolarHBondContact O-N 3.33Å | ||
| 396 | A | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -162.4 | 145.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I275 R279 R383 E394 I398 | I275-A396 HydrophobicContact CB-CB 3.59Å; I275-A396 HydrophobicContact CG2-CB 4.27Å; I275-A396 WeakPolarHBondContact O-CB 3.37Å; R279-A396 HydrophobicContact CB-CB 4.44Å; R383-A396 PolarHBondContact O-N 3.2Å; E394-A396 PolarHBondContact O-N 2.87Å; A396-I398 HydrophobicContact CB-CD1 4.02Å; A396-I398 HydrophobicContact CB-CG1 3.93Å; A396-I398 PolarHBondContact O-N 3.14Å | ||
| 397 | P | 97 | Very high | 92.9 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -81.4 | 48.8 | -173.6 | 38.1 | -41.1 | 0 | 0 | 0 | 112.4 | V278 L282 W309 T400 Q401 | V278-P397 HydrophobicContact CG1-CG 3.92Å; L282-P397 HydrophobicContact CB-CG 4.03Å; L282-P397 HydrophobicContact CD2-CB 3.47Å; L282-P397 VanDerWaalsContact CD2-CB 3.47Å; L282-P397 HydrophobicContact CD2-CG 3.44Å; L282-P397 VanDerWaalsContact CD2-CG 3.44Å; L282-P397 HydrophobicContact CG-CG 4.36Å; W309-P397 HydrophobicContact CH2-CG 4.23Å; W309-P397 HydrophobicContact CZ3-CG 4.3Å; P397-T400 PolarHBondContact O-N 3.49Å; P397-Q401 VanDerWaalsContact O-CB 3.31Å; P397-Q401 WeakPolarHBondContact O-CB 3.47Å; P397-Q401 PolarHBondContact O-N 3.22Å | ||
| 398 | I | 98.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | -170.9 | -58.7 | -55.6 | 0 | 0 | 0 | 112 | I275 V278 D342 Q346 W373 A396 Q401 F402 | I275-I398 HydrophobicContact CB-CD1 4.45Å; I275-I398 HydrophobicContact CG2-CD1 3.98Å; I275-I398 HydrophobicContact CG2-CG1 4.14Å; V278-I398 HydrophobicContact CB-CD1 4.37Å; V278-I398 HydrophobicContact CG1-CD1 4.24Å; D342-I398 HydrophobicContact CB-CG2 4.11Å; Q346-I398 HydrophobicContact CG-CG2 4.02Å; Q346-I398 PolarHBondContact NE2-O 2.88Å; W373-I398 HydrophobicContact CH2-CG2 4.31Å; W373-I398 HydrophobicContact CZ3-CG2 4.17Å; A396-I398 HydrophobicContact CB-CD1 4.02Å; A396-I398 HydrophobicContact CB-CG1 3.93Å; A396-I398 PolarHBondContact O-N 3.14Å; I398-Q401 PolarHBondContact O-N 3.4Å; I398-F402 PolarHBondContact O-N 2.93Å; I398-F402 VanDerWaalsContact O-N 3.11Å |
| 399 | F | 98.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -39.8 | 175.7 | -165.3 | -110.7 | 0 | 0 | 0 | 111.5 | I369 W373 F380 Q401 F402 L403 L431 F439 | I369-F399 HydrophobicContact CD1-CZ 3.94Å; I369-F399 HydrophobicContact CG1-CE2 4.29Å; I369-F399 HydrophobicContact CG1-CZ 4.05Å; I369-F399 HydrophobicContact CG2-CE2 4.25Å; I369-F399 HydrophobicContact CG2-CZ 4.02Å; W373-F399 AromaticContact CD2-CD2 3.56Å; W373-F399 HydrophobicContact CD2-CD2 3.56Å; W373-F399 AromaticContact CD2-CE2 3.67Å; W373-F399 HydrophobicContact CD2-CE2 3.67Å; W373-F399 AromaticContact CE2-CD2 3.79Å; W373-F399 AromaticContact CE2-CE2 3.8Å; W373-F399 AromaticContact CE3-CD2 3.46Å; W373-F399 HydrophobicContact CE3-CD2 3.46Å; W373-F399 VanDerWaalsContact CE3-CD2 3.46Å; W373-F399 HydrophobicContact CE3-CE2 4.05Å; W373-F399 HydrophobicContact CE3-CG 4.49Å; W373-F399 HydrophobicContact CG-CD2 4.27Å; W373-F399 AromaticContact CG-CE2 3.94Å; W373-F399 HydrophobicContact CG-CE2 3.94Å; W373-F399 AromaticContact CH2-CD2 3.74Å; W373-F399 HydrophobicContact CH2-CD2 3.74Å; W373-F399 AromaticContact CZ2-CD2 3.89Å; W373-F399 HydrophobicContact CZ2-CD2 3.89Å; W373-F399 HydrophobicContact CZ2-CE2 4.24Å; W373-F399 HydrophobicContact CZ3-CB 4.17Å; W373-F399 AromaticContact CZ3-CD2 3.56Å; W373-F399 HydrophobicContact CZ3-CD2 3.56Å; W373-F399 HydrophobicContact CZ3-CE2 4.47Å; W373-F399 HydrophobicContact CZ3-CG 4.36Å; F380-F399 HydrophobicContact CE1-CB 3.95Å; F380-F399 HydrophobicContact CE1-CD1 4.08Å; F380-F399 AromaticContact CE1-CD2 3.93Å; F380-F399 HydrophobicContact CE1-CD2 3.93Å; F380-F399 HydrophobicContact CE1-CE2 4.43Å; F380-F399 AromaticContact CE1-CG 3.72Å; F380-F399 HydrophobicContact CE1-CG 3.72Å; F380-F399 AromaticContact CZ-CD2 3.92Å; F380-F399 HydrophobicContact CZ-CD2 3.92Å; F380-F399 HydrophobicContact CZ-CE2 4.16Å; F380-F399 HydrophobicContact CZ-CG 4.2Å; F399-Q401 VanDerWaalsContact C-N 3.31Å; F399-Q401 PolarHBondContact O-N 2.93Å; F399-F402 AromaticContact CD2-CD1 3.98Å; F399-F402 HydrophobicContact CD2-CD1 3.98Å; F399-F402 AromaticContact CE2-CD1 3.75Å; F399-F402 HydrophobicContact CE2-CD1 3.75Å; F399-F402 HydrophobicContact CE2-CE1 4.01Å; F399-F402 HydrophobicContact CZ-CD1 4.33Å; F399-F402 HydrophobicContact CZ-CE1 4.44Å; F399-F402 WeakPolarHBondContact O-CA 3.46Å; F399-F402 WeakPolarHBondContact O-CB 3Å; F399-F402 PolarHBondContact O-N 3.35Å; F399-F402 VanDerWaalsContact O-N 3.08Å; F399-L403 HydrophobicContact CD1-CD1 3.9Å; F399-L403 HydrophobicContact CD1-CG 4.13Å; F399-L403 HydrophobicContact CE1-CD1 3.86Å; F399-L403 HydrophobicContact CE1-CD2 4.02Å; F399-L403 HydrophobicContact CE1-CG 4.04Å; F399-L403 HydrophobicContact CZ-CD2 4.23Å; F399-L403 WeakPolarHBondContact O-CG 3Å; F399-L403 PolarHBondContact O-N 3.26Å; F399-L431 HydrophobicContact CB-CD2 4.16Å; F399-L431 HydrophobicContact CD1-CD1 3.99Å; F399-L431 HydrophobicContact CD1-CD2 4.01Å; F399-F439 HydrophobicContact CE1-CE1 4.49Å; F399-F439 HydrophobicContact CE1-CZ 4.29Å; F399-F439 HydrophobicContact CZ-CE1 4.42Å; F399-F439 HydrophobicContact CZ-CZ 4.42Å |
| 400 | T | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | F76 P397 F402 L403 D404 Q428 Y432 L503 | F76-T400 HydrophobicContact CE2-CG2 4.17Å; F76-T400 HydrophobicContact CZ-CG2 4.03Å; P397-T400 PolarHBondContact O-N 3.49Å; T400-F402 VanDerWaalsContact C-N 3.32Å; T400-F402 PolarHBondContact O-N 3.36Å; T400-L403 PolarHBondContact O-N 2.94Å; T400-D404 PolarHBondContact O-N 3.32Å; T400-Q428 HydrophobicContact CG2-CG 3.96Å; T400-Y432 PolarHBondContact OG1-OH 3.35Å; T400-Y432 VanDerWaalsContact OG1-OH 3.13Å; T400-L503 HydrophobicContact CG2-CD2 4.24Å |
| 401 | Q | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.5 | -169.4 | -172.4 | 42.5 | 0 | 0 | 112.2 | W309 I313 L316 P397 I398 F399 D404 A405 | W309-Q401 HydrophobicContact CH2-CB 3.79Å; W309-Q401 HydrophobicContact CH2-CG 3.87Å; W309-Q401 HydrophobicContact CZ2-CB 4.23Å; W309-Q401 HydrophobicContact CZ2-CG 4.17Å; W309-Q401 HydrophobicContact CZ3-CG 4.49Å; I313-Q401 HydrophobicContact CD1-CG 3.56Å; L316-Q401 HydrophobicContact CD1-CG 3.72Å; P397-Q401 VanDerWaalsContact O-CB 3.31Å; P397-Q401 WeakPolarHBondContact O-CB 3.47Å; P397-Q401 PolarHBondContact O-N 3.22Å; I398-Q401 PolarHBondContact O-N 3.4Å; F399-Q401 VanDerWaalsContact C-N 3.31Å; F399-Q401 PolarHBondContact O-N 2.93Å; Q401-D404 PolarHBondContact O-N 3.18Å; Q401-A405 PolarHBondContact O-N 2.66Å |
| 402 | F | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 172.3 | 163.1 | -108.3 | 0 | 0 | 0 | 111.7 | Q346 S349 L350 I353 F365 W373 I398 F399 T400 D404 A405 V406 | Q346-F402 HydrophobicContact CG-CB 4.19Å; S349-F402 VanDerWaalsContact CB-CE2 3.5Å; L350-F402 HydrophobicContact CD1-CD2 4.5Å; L350-F402 HydrophobicContact CD2-CD2 4.19Å; L350-F402 HydrophobicContact CD2-CE2 4.05Å; L350-F402 HydrophobicContact CG-CD2 3.97Å; L350-F402 HydrophobicContact CG-CE2 3.96Å; I353-F402 HydrophobicContact CD1-CE2 4.33Å; I353-F402 HydrophobicContact CD1-CZ 4.24Å; F365-F402 HydrophobicContact CE2-CE1 4.08Å; F365-F402 AromaticContact CE2-CZ 3.79Å; F365-F402 HydrophobicContact CE2-CZ 3.79Å; F365-F402 AromaticContact CZ-CE1 3.86Å; F365-F402 HydrophobicContact CZ-CE1 3.86Å; F365-F402 HydrophobicContact CZ-CZ 4.05Å; W373-F402 HydrophobicContact CH2-CB 3.72Å; W373-F402 HydrophobicContact CH2-CD1 4.38Å; W373-F402 HydrophobicContact CH2-CG 4.08Å; W373-F402 HydrophobicContact CZ2-CB 3.57Å; W373-F402 AromaticContact CZ2-CD1 3.61Å; W373-F402 HydrophobicContact CZ2-CD1 3.61Å; W373-F402 AromaticContact CZ2-CD2 3.85Å; W373-F402 HydrophobicContact CZ2-CD2 3.85Å; W373-F402 HydrophobicContact CZ2-CE1 4.23Å; W373-F402 HydrophobicContact CZ2-CE2 4.44Å; W373-F402 AromaticContact CZ2-CG 3.39Å; W373-F402 HydrophobicContact CZ2-CG 3.39Å; W373-F402 AromaticContact NE1-CE1 3.99Å; I398-F402 PolarHBondContact O-N 2.93Å; I398-F402 VanDerWaalsContact O-N 3.11Å; F399-F402 AromaticContact CD2-CD1 3.98Å; F399-F402 HydrophobicContact CD2-CD1 3.98Å; F399-F402 AromaticContact CE2-CD1 3.75Å; F399-F402 HydrophobicContact CE2-CD1 3.75Å; F399-F402 HydrophobicContact CE2-CE1 4.01Å; F399-F402 HydrophobicContact CZ-CD1 4.33Å; F399-F402 HydrophobicContact CZ-CE1 4.44Å; F399-F402 WeakPolarHBondContact O-CA 3.46Å; F399-F402 WeakPolarHBondContact O-CB 3Å; F399-F402 PolarHBondContact O-N 3.35Å; F399-F402 VanDerWaalsContact O-N 3.08Å; T400-F402 VanDerWaalsContact C-N 3.32Å; T400-F402 PolarHBondContact O-N 3.36Å; F402-D404 VanDerWaalsContact C-N 3.28Å; F402-D404 PolarHBondContact O-N 3.22Å; F402-A405 PolarHBondContact O-N 3.2Å; F402-A405 VanDerWaalsContact O-N 3.17Å; F402-V406 HydrophobicContact CD2-CG2 4.07Å; F402-V406 HydrophobicContact CE1-CG2 4.13Å; F402-V406 HydrophobicContact CE2-CG2 3.6Å; F402-V406 HydrophobicContact CZ-CG2 3.64Å; F402-V406 WeakPolarHBondContact O-CG2 3.43Å; F402-V406 PolarHBondContact O-N 3.29Å |
| 403 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.3 | -64.8 | 177.3 | 0 | 0 | 0 | 111.8 | F365 F399 T400 V406 W407 L424 L427 Q428 W500 | F365-L403 HydrophobicContact CE1-CD2 4.47Å; F365-L403 HydrophobicContact CZ-CD2 4.24Å; F399-L403 HydrophobicContact CD1-CD1 3.9Å; F399-L403 HydrophobicContact CD1-CG 4.13Å; F399-L403 HydrophobicContact CE1-CD1 3.86Å; F399-L403 HydrophobicContact CE1-CD2 4.02Å; F399-L403 HydrophobicContact CE1-CG 4.04Å; F399-L403 HydrophobicContact CZ-CD2 4.23Å; F399-L403 WeakPolarHBondContact O-CG 3Å; F399-L403 PolarHBondContact O-N 3.26Å; T400-L403 PolarHBondContact O-N 2.94Å; L403-V406 PolarHBondContact O-N 2.89Å; L403-W407 WeakPolarHBondContact O-CB 3.47Å; L403-W407 PolarHBondContact O-N 3.44Å; L403-L424 HydrophobicContact CD2-CD2 4.04Å; L403-L427 HydrophobicContact CD1-CB 3.99Å; L403-L427 HydrophobicContact CD2-CB 4.42Å; L403-L427 HydrophobicContact CD2-CD1 3.93Å; L403-Q428 HydrophobicContact CD1-CB 3.8Å; L403-Q428 HydrophobicContact CD1-CG 4.46Å; L403-W500 HydrophobicContact CB-CH2 4.41Å; L403-W500 HydrophobicContact CB-CZ3 4.14Å |
| 404 | D | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 172.7 | -174.7 | -24.3 | 0 | 0 | 0 | 110.5 | W309 I313 T400 Q401 F402 V406 W407 Q408 W500 Y504 | W309-D404 PolarHBondContact NE1-OD2 3.04Å; I313-D404 HydrophobicContact CD1-CB 3.73Å; T400-D404 PolarHBondContact O-N 3.32Å; Q401-D404 PolarHBondContact O-N 3.18Å; F402-D404 VanDerWaalsContact C-N 3.28Å; F402-D404 PolarHBondContact O-N 3.22Å; D404-V406 VanDerWaalsContact C-N 3.27Å; D404-V406 PolarHBondContact O-N 3.47Å; D404-W407 CarbonylContact O-C 3.58Å; D404-W407 WeakPolarHBondContact O-CA 3.43Å; D404-W407 WeakPolarHBondContact O-CB 3.36Å; D404-W407 PolarHBondContact O-N 3.46Å; D404-Q408 WeakPolarHBondContact O-CG 3.47Å; D404-Q408 PolarHBondContact O-N 3.37Å; D404-Q408 PolarHBondContact OD1-NE2 3.37Å; D404-W500 HydrophobicContact CB-CE3 3.84Å; D404-W500 HydrophobicContact CB-CZ3 4.2Å; D404-Y504 WeakPolarHBondContact OD2-CE2 3.46Å; D404-Y504 PolarHBondContact OD2-OH 2.87Å; D404-Y504 VanDerWaalsContact OD2-OH 3.05Å |
| 405 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I313 L316 L317 L350 Q401 F402 Q408 L409 | I313-A405 HydrophobicContact CG2-CB 4.36Å; L316-A405 HydrophobicContact CB-CB 4.47Å; L316-A405 HydrophobicContact CD1-CB 4.31Å; L317-A405 HydrophobicContact CD2-CB 4.14Å; L317-A405 HydrophobicContact CG-CB 4.34Å; L350-A405 HydrophobicContact CD1-CB 3.77Å; L350-A405 HydrophobicContact CD2-CB 3.95Å; L350-A405 HydrophobicContact CG-CB 4.49Å; Q401-A405 PolarHBondContact O-N 2.66Å; F402-A405 PolarHBondContact O-N 3.2Å; F402-A405 VanDerWaalsContact O-N 3.17Å; A405-Q408 PolarHBondContact O-N 2.68Å; A405-L409 PolarHBondContact O-N 3.08Å |
| 406 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 172.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | L350 I353 F365 F402 L403 D404 Q408 L409 V410 F419 L424 | L350-V406 HydrophobicContact CD2-CG2 3.85Å; I353-V406 HydrophobicContact CD1-CG2 3.9Å; F365-V406 HydrophobicContact CE2-CG1 4.06Å; F365-V406 HydrophobicContact CE2-CG2 3.98Å; F365-V406 HydrophobicContact CZ-CG1 4.1Å; F365-V406 HydrophobicContact CZ-CG2 4.14Å; F402-V406 HydrophobicContact CD2-CG2 4.07Å; F402-V406 HydrophobicContact CE1-CG2 4.13Å; F402-V406 HydrophobicContact CE2-CG2 3.6Å; F402-V406 HydrophobicContact CZ-CG2 3.64Å; F402-V406 WeakPolarHBondContact O-CG2 3.43Å; F402-V406 PolarHBondContact O-N 3.29Å; L403-V406 PolarHBondContact O-N 2.89Å; D404-V406 VanDerWaalsContact C-N 3.27Å; D404-V406 PolarHBondContact O-N 3.47Å; V406-Q408 VanDerWaalsContact C-N 3.32Å; V406-Q408 PolarHBondContact O-N 3.06Å; V406-L409 WeakPolarHBondContact O-CA 3.48Å; V406-L409 WeakPolarHBondContact O-CB 3.48Å; V406-L409 PolarHBondContact O-N 3.13Å; V406-V410 WeakPolarHBondContact O-CG2 3.1Å; V406-V410 PolarHBondContact O-N 2.69Å; V406-F419 HydrophobicContact CG1-CE2 3.88Å; V406-F419 HydrophobicContact CG1-CZ 3.94Å; V406-L424 HydrophobicContact CB-CD1 4.42Å; V406-L424 HydrophobicContact CB-CD2 4.42Å; V406-L424 HydrophobicContact CG1-CD1 4.02Å; V406-L424 HydrophobicContact CG1-CD2 3.87Å |
| 407 | W | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 4% | 0.038 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.1 | 175.7 | 80.8 | 0 | 0 | 0 | 112.1 | L403 D404 L409 V410 E411 E421 L424 T498 W500 | L403-W407 WeakPolarHBondContact O-CB 3.47Å; L403-W407 PolarHBondContact O-N 3.44Å; D404-W407 CarbonylContact O-C 3.58Å; D404-W407 WeakPolarHBondContact O-CA 3.43Å; D404-W407 WeakPolarHBondContact O-CB 3.36Å; D404-W407 PolarHBondContact O-N 3.46Å; W407-L409 PolarHBondContact O-N 3.16Å; W407-V410 WeakPolarHBondContact O-CB 3.38Å; W407-V410 PolarHBondContact O-N 3.2Å; W407-E411 HydrophobicContact CD2-CG 3.88Å; W407-E411 HydrophobicContact CE3-CG 4.25Å; W407-E411 HydrophobicContact CH2-CG 3.76Å; W407-E411 HydrophobicContact CZ2-CG 3.35Å; W407-E411 HydrophobicContact CZ3-CG 4.18Å; W407-E411 PolarHBondContact O-N 2.88Å; W407-E421 PolarHBondContact NE1-OE1 3.28Å; W407-L424 HydrophobicContact CB-CD1 3.87Å; W407-T498 WeakPolarHBondContact CH2-OG1 3.23Å; W407-T498 WeakPolarHBondContact CZ3-OG1 3.45Å; W407-W500 HydrophobicContact CB-CD2 3.92Å; W407-W500 HydrophobicContact CB-CE3 3.9Å; W407-W500 HydrophobicContact CB-CH2 3.9Å; W407-W500 HydrophobicContact CB-CZ2 3.87Å; W407-W500 HydrophobicContact CB-CZ3 3.91Å; W407-W500 AromaticContact CD1-CD1 3.94Å; W407-W500 AromaticContact CD1-CE2 3.45Å; W407-W500 VanDerWaalsContact CD1-CE2 3.45Å; W407-W500 AromaticContact CD1-CZ2 3.7Å; W407-W500 AromaticContact CD1-NE1 3.39Å; W407-W500 HydrophobicContact CD2-CB 3.99Å; W407-W500 AromaticContact CD2-CD1 3.56Å; W407-W500 AromaticContact CD2-CD2 3.78Å; W407-W500 HydrophobicContact CD2-CD2 3.78Å; W407-W500 AromaticContact CD2-CE2 3.93Å; W407-W500 HydrophobicContact CD2-CE3 4.48Å; W407-W500 AromaticContact CD2-CG 3.54Å; W407-W500 HydrophobicContact CD2-CG 3.54Å; W407-W500 AromaticContact CD2-NE1 3.81Å; W407-W500 AromaticContact CE2-CD1 3.3Å; W407-W500 AromaticContact CE2-CG 3.79Å; W407-W500 AromaticContact CE2-NE1 3.57Å; W407-W500 HydrophobicContact CE3-CB 3.66Å; W407-W500 HydrophobicContact CE3-CD2 4.22Å; W407-W500 AromaticContact CE3-CG 3.77Å; W407-W500 HydrophobicContact CE3-CG 3.77Å; W407-W500 AromaticContact CG-CD1 3.95Å; W407-W500 AromaticContact CG-CD2 3.63Å; W407-W500 HydrophobicContact CG-CD2 3.63Å; W407-W500 AromaticContact CG-CE2 3.45Å; W407-W500 VanDerWaalsContact CG-CE2 3.45Å; W407-W500 HydrophobicContact CG-CE3 4.14Å; W407-W500 AromaticContact CG-CG 3.94Å; W407-W500 HydrophobicContact CG-CG 3.94Å; W407-W500 HydrophobicContact CG-CH2 4.33Å; W407-W500 AromaticContact CG-CZ2 3.81Å; W407-W500 HydrophobicContact CG-CZ2 3.81Å; W407-W500 HydrophobicContact CG-CZ3 4.47Å; W407-W500 AromaticContact CG-NE1 3.69Å; W407-W500 HydrophobicContact CH2-CB 4.16Å; W407-W500 HydrophobicContact CH2-CG 4.41Å; W407-W500 HydrophobicContact CZ2-CB 4.43Å; W407-W500 AromaticContact CZ2-CD1 3.67Å; W407-W500 HydrophobicContact CZ2-CG 4.21Å; W407-W500 HydrophobicContact CZ3-CB 3.77Å; W407-W500 HydrophobicContact CZ3-CG 4.2Å; W407-W500 AromaticContact NE1-CD1 3.55Å; W407-W500 AromaticContact NE1-CE2 3.86Å; W407-W500 AromaticContact NE1-NE1 3.29Å |
| 408 | Q | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.4 | -38.2 | 172.9 | -56.9 | -65.4 | -36.2 | 0 | 0 | 111.7 | I313 L317 D404 A405 V406 Q412 T498 | I313-Q408 HydrophobicContact CG2-CG 3.57Å; L317-Q408 HydrophobicContact CD1-CB 3.84Å; L317-Q408 HydrophobicContact CD1-CG 4.11Å; D404-Q408 WeakPolarHBondContact O-CG 3.47Å; D404-Q408 PolarHBondContact O-N 3.37Å; D404-Q408 PolarHBondContact OD1-NE2 3.37Å; A405-Q408 PolarHBondContact O-N 2.68Å; V406-Q408 VanDerWaalsContact C-N 3.32Å; V406-Q408 PolarHBondContact O-N 3.06Å; Q408-Q412 WeakPolarHBondContact O-CB 3.27Å; Q408-Q412 VanDerWaalsContact O-CG 3.3Å; Q408-Q412 WeakPolarHBondContact O-CG 3.42Å; Q408-Q412 PolarHBondContact O-N 3.44Å; Q408-Q412 VanDerWaalsContact O-N 3.08Å; Q408-T498 PolarHBondContact NE2-O 3.24Å |
| 409 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 175.3 | -60.7 | 177 | 0 | 0 | 0 | 111.8 | L317 L350 I353 L354 A405 V406 W407 E411 Q412 F413 F417 P490 | L317-L409 HydrophobicContact CD2-CD1 4.38Å; L317-L409 HydrophobicContact CD2-CD2 3.93Å; L317-L409 HydrophobicContact CD2-CG 4.01Å; L350-L409 HydrophobicContact CD2-CD1 4.14Å; I353-L409 HydrophobicContact CG2-CD1 3.94Å; L354-L409 HydrophobicContact CD2-CD1 3.95Å; L354-L409 HydrophobicContact CD2-CD2 3.87Å; A405-L409 PolarHBondContact O-N 3.08Å; V406-L409 WeakPolarHBondContact O-CA 3.48Å; V406-L409 WeakPolarHBondContact O-CB 3.48Å; V406-L409 PolarHBondContact O-N 3.13Å; W407-L409 PolarHBondContact O-N 3.16Å; L409-E411 VanDerWaalsContact C-N 3.31Å; L409-E411 PolarHBondContact O-N 2.93Å; L409-Q412 PolarHBondContact O-N 3.03Å; L409-F413 HydrophobicContact CB-CD2 4.48Å; L409-F413 HydrophobicContact CD2-CE2 4.23Å; L409-F413 WeakPolarHBondContact O-CB 3.49Å; L409-F413 VanDerWaalsContact O-CD2 3.24Å; L409-F413 WeakPolarHBondContact O-CD2 3.26Å; L409-F413 PolarHBondContact O-N 2.88Å; L409-F417 HydrophobicContact CB-CE2 3.96Å; L409-F417 HydrophobicContact CB-CZ 3.68Å; L409-F417 HydrophobicContact CD1-CZ 4.44Å; L409-P490 HydrophobicContact CD2-CB 3.7Å; L409-P490 HydrophobicContact CD2-CG 4.26Å |
| 410 | V | 97.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 18.2 Ų | 18.2 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | V406 W407 F413 P414 F417 F419 L424 | V406-V410 WeakPolarHBondContact O-CG2 3.1Å; V406-V410 PolarHBondContact O-N 2.69Å; W407-V410 WeakPolarHBondContact O-CB 3.38Å; W407-V410 PolarHBondContact O-N 3.2Å; V410-F413 CarbonylContact O-C 3.47Å; V410-F413 VanDerWaalsContact O-C 3.29Å; V410-F413 PolarHBondContact O-N 3.2Å; V410-P414 WeakPolarHBondContact O-CA 3.45Å; V410-F417 HydrophobicContact CB-CD2 4.39Å; V410-F417 HydrophobicContact CG2-CB 4.12Å; V410-F417 HydrophobicContact CG2-CD1 4.1Å; V410-F417 HydrophobicContact CG2-CD2 3.85Å; V410-F417 HydrophobicContact CG2-CE1 4.49Å; V410-F417 HydrophobicContact CG2-CE2 4.27Å; V410-F417 HydrophobicContact CG2-CG 3.76Å; V410-F419 HydrophobicContact CG2-CD2 4.46Å; V410-F419 HydrophobicContact CG2-CE2 3.87Å; V410-L424 HydrophobicContact CG2-CD1 4.26Å |
| 411 | E | 95.7 | Very high | 97.6 | Very high | 104 Ų | 104 | 19.1 Ų | 19.1 | 49% | 0.486 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.2 | -75 | -68.9 | 103.6 | 0 | 0 | 112.5 | W407 L409 F413 | W407-E411 HydrophobicContact CD2-CG 3.88Å; W407-E411 HydrophobicContact CE3-CG 4.25Å; W407-E411 HydrophobicContact CH2-CG 3.76Å; W407-E411 HydrophobicContact CZ2-CG 3.35Å; W407-E411 HydrophobicContact CZ3-CG 4.18Å; W407-E411 PolarHBondContact O-N 2.88Å; L409-E411 VanDerWaalsContact C-N 3.31Å; L409-E411 PolarHBondContact O-N 2.93Å; E411-F413 VanDerWaalsContact C-N 3.31Å |
| 412 | Q | 97.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 20.7 Ų | 20.7 | 19% | 0.187 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.4 | -25.9 | 178.4 | -70.7 | -176 | 21.9 | 0 | 0 | 112.9 | Q408 L409 D491 Q496 | Q408-Q412 WeakPolarHBondContact O-CB 3.27Å; Q408-Q412 VanDerWaalsContact O-CG 3.3Å; Q408-Q412 WeakPolarHBondContact O-CG 3.42Å; Q408-Q412 PolarHBondContact O-N 3.44Å; Q408-Q412 VanDerWaalsContact O-N 3.08Å; L409-Q412 PolarHBondContact O-N 3.03Å; Q412-D491 PolarHBondContact NE2-O 3.24Å; Q412-Q496 PolarHBondContact NE2-O 2.96Å |
| 413 | F | 97.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 20.8 Ų | 20.8 | 19% | 0.189 | 11% | 0.106 | C | C | . | . | trans | -131.3 | 67.5 | -174.1 | -56 | -71.8 | 0 | 0 | 0 | 112 | L409 V410 E411 T415 E416 F417 L488 P490 | L409-F413 HydrophobicContact CB-CD2 4.48Å; L409-F413 HydrophobicContact CD2-CE2 4.23Å; L409-F413 WeakPolarHBondContact O-CB 3.49Å; L409-F413 VanDerWaalsContact O-CD2 3.24Å; L409-F413 WeakPolarHBondContact O-CD2 3.26Å; L409-F413 PolarHBondContact O-N 2.88Å; V410-F413 CarbonylContact O-C 3.47Å; V410-F413 VanDerWaalsContact O-C 3.29Å; V410-F413 PolarHBondContact O-N 3.2Å; E411-F413 VanDerWaalsContact C-N 3.31Å; F413-T415 PolarHBondContact O-N 3.43Å; F413-E416 HydrophobicContact CB-CB 3.83Å; F413-E416 HydrophobicContact CB-CG 3.75Å; F413-E416 HydrophobicContact CG-CG 4.46Å; F413-E416 PolarHBondContact O-N 2.93Å; F413-E416 VanDerWaalsContact O-N 3.09Å; F413-F417 HydrophobicContact CB-CE2 4.16Å; F413-L488 HydrophobicContact CB-CD1 4.45Å; F413-L488 HydrophobicContact CD1-CD2 3.8Å; F413-L488 HydrophobicContact CD2-CB 4.49Å; F413-L488 HydrophobicContact CD2-CD1 3.84Å; F413-L488 HydrophobicContact CD2-CD2 4.33Å; F413-L488 HydrophobicContact CD2-CG 4.42Å; F413-L488 HydrophobicContact CE1-CD2 3.99Å; F413-L488 HydrophobicContact CE2-CB 4.11Å; F413-L488 HydrophobicContact CE2-CD1 4.28Å; F413-L488 HydrophobicContact CG-CD1 4.09Å; F413-L488 HydrophobicContact CG-CD2 3.99Å; F413-L488 HydrophobicContact CZ-CB 4.2Å; F413-L488 HydrophobicContact CZ-CD2 4.36Å; F413-P490 HydrophobicContact CE2-CB 4.42Å | ||
| 414 | P | 94.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 20.8 Ų | 20.8 | 43% | 0.429 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.4 | -167.3 | 24.2 | -35.5 | 0 | 0 | 0 | 115.4 | V410 N476 L478 | V410-P414 WeakPolarHBondContact O-CA 3.45Å; P414-N476 PolarHBondContact O-ND2 2.84Å; P414-L478 HydrophobicContact CB-CD1 4.42Å |
| 415 | T | 95.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 21.4 Ų | 21.4 | 39% | 0.387 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.6 | 179.6 | 60.2 | 0 | 0 | 0 | 0 | 114 | F413 L478 | F413-T415 PolarHBondContact O-N 3.43Å; T415-L478 HydrophobicContact CG2-CB 4.26Å |
| 416 | E | 98 | Very high | 96.8 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.7 | -169 | -70.1 | -74.3 | 162.9 | 0 | 0 | 113.8 | R360 F413 V484 S485 L488 | R360-E416 VanDerWaalsContact CB-O 3.25Å; R360-E416 WeakPolarHBondContact CB-O 3.33Å; R360-E416 WeakPolarHBondContact CD-O 3.38Å; R360-E416 IonicContact NH1-OE2 3.43Å; R360-E416 PolarHBondContact NH1-OE2 3.41Å; F413-E416 HydrophobicContact CB-CB 3.83Å; F413-E416 HydrophobicContact CB-CG 3.75Å; F413-E416 HydrophobicContact CG-CG 4.46Å; F413-E416 PolarHBondContact O-N 2.93Å; F413-E416 VanDerWaalsContact O-N 3.09Å; E416-V484 WeakPolarHBondContact OE2-CA 3.2Å; E416-V484 WeakPolarHBondContact OE2-CB 3.45Å; E416-S485 VanDerWaalsContact CD-N 3.28Å; E416-S485 WeakPolarHBondContact OE1-CB 3.18Å; E416-S485 PolarHBondContact OE1-N 3.29Å; E416-S485 PolarHBondContact OE1-OG 3.04Å; E416-S485 PolarHBondContact OE2-N 3.36Å; E416-L488 HydrophobicContact CB-CD1 4.36Å; E416-L488 HydrophobicContact CB-CD2 4.48Å; E416-L488 HydrophobicContact CG-CD2 3.87Å |
| 417 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -114.7 | 129.8 | -174.7 | -67 | -91.6 | 0 | 0 | 0 | 111.7 | I353 R360 L409 V410 F413 F419 N476 F479 L488 | I353-F417 HydrophobicContact CG2-CE1 3.65Å; I353-F417 HydrophobicContact CG2-CZ 3.85Å; R360-F417 HydrophobicContact CB-CD1 3.72Å; R360-F417 HydrophobicContact CB-CE1 4.02Å; R360-F417 HydrophobicContact CB-CG 4.3Å; R360-F417 HydrophobicContact CG-CD1 4Å; R360-F417 HydrophobicContact CG-CE1 3.76Å; R360-F417 HydrophobicContact CG-CZ 4.26Å; L409-F417 HydrophobicContact CB-CE2 3.96Å; L409-F417 HydrophobicContact CB-CZ 3.68Å; L409-F417 HydrophobicContact CD1-CZ 4.44Å; V410-F417 HydrophobicContact CB-CD2 4.39Å; V410-F417 HydrophobicContact CG2-CB 4.12Å; V410-F417 HydrophobicContact CG2-CD1 4.1Å; V410-F417 HydrophobicContact CG2-CD2 3.85Å; V410-F417 HydrophobicContact CG2-CE1 4.49Å; V410-F417 HydrophobicContact CG2-CE2 4.27Å; V410-F417 HydrophobicContact CG2-CG 3.76Å; F413-F417 HydrophobicContact CB-CE2 4.16Å; F417-F419 VanDerWaalsContact C-N 3.31Å; F417-F419 HydrophobicContact CB-CE2 4.4Å; F417-F419 HydrophobicContact CB-CZ 4.48Å; F417-F419 AromaticContact CD1-CE1 3.89Å; F417-F419 HydrophobicContact CD1-CE1 3.89Å; F417-F419 AromaticContact CD1-CE2 3.87Å; F417-F419 HydrophobicContact CD1-CE2 3.87Å; F417-F419 AromaticContact CD1-CZ 3.38Å; F417-F419 HydrophobicContact CD1-CZ 3.38Å; F417-F419 AromaticContact CE1-CZ 3.99Å; F417-F419 HydrophobicContact CE1-CZ 3.99Å; F417-F419 HydrophobicContact CG-CE2 4.44Å; F417-F419 HydrophobicContact CG-CZ 4.32Å; F417-N476 WeakPolarHBondContact O-CB 3.04Å; F417-N476 PolarHBondContact O-ND2 3.44Å; F417-F479 WeakPolarHBondContact O-CB 3.5Å; F417-F479 WeakPolarHBondContact O-CD2 3.46Å; F417-L488 HydrophobicContact CE2-CD1 4.11Å; F417-L488 HydrophobicContact CZ-CD1 4.14Å | ||
| 418 | E | 98.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 21.3 Ų | 21.3 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -71.2 | -28.9 | 177.9 | -172.8 | -179.1 | -153.4 | 0 | 0 | 112.2 | R360 T361 I362 R475 N476 F479 | R360-E418 PolarHBondContact O-N 3.19Å; T361-E418 VanDerWaalsContact CA-OE2 3.31Å; T361-E418 WeakPolarHBondContact CA-OE2 3.31Å; T361-E418 VanDerWaalsContact CB-OE2 3.25Å; T361-E418 WeakPolarHBondContact CB-OE2 3.38Å; I362-E418 HydrophobicContact CD1-CG 4.14Å; I362-E418 HydrophobicContact CG1-CB 4.41Å; I362-E418 HydrophobicContact CG1-CG 4.14Å; I362-E418 PolarHBondContact N-OE2 3.28Å; E418-R475 HydrophobicContact CG-CG 4.41Å; E418-R475 CarbonylContact O-C 3.07Å; E418-R475 WeakPolarHBondContact O-CA 3.26Å; E418-R475 WeakPolarHBondContact O-CG 3.38Å; E418-R475 IonicContact OE1-CZ 2.86Å; E418-R475 IonicContact OE1-NH1 2.83Å; E418-R475 PolarHBondContact OE1-NH1 3.47Å; E418-R475 IonicContact OE1-NH2 2.62Å; E418-N476 PolarHBondContact O-N 2.93Å; E418-F479 VanDerWaalsContact CA-CG 3.44Å; E418-F479 HydrophobicContact CB-CD1 3.72Å; E418-F479 HydrophobicContact CB-CD2 4.24Å; E418-F479 HydrophobicContact CB-CE1 3.67Å; E418-F479 HydrophobicContact CB-CE2 4.18Å; E418-F479 HydrophobicContact CB-CG 4Å; E418-F479 HydrophobicContact CB-CZ 3.91Å; E418-F479 HydrophobicContact CG-CD1 3.75Å; E418-F479 HydrophobicContact CG-CE1 3.8Å; E418-F479 HydrophobicContact CG-CG 4.42Å |
| 419 | F | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 148.4 | 175.4 | 56.1 | -98.3 | 0 | 0 | 0 | 111 | I362 F365 V406 V410 F417 Y423 L424 L474 | I362-F419 HydrophobicContact CG1-CB 3.88Å; F365-F419 HydrophobicContact CB-CD1 4.16Å; F365-F419 HydrophobicContact CB-CE1 3.64Å; F365-F419 HydrophobicContact CB-CZ 4.44Å; F365-F419 HydrophobicContact CD1-CD1 4.47Å; F365-F419 HydrophobicContact CD1-CE1 4.05Å; F365-F419 HydrophobicContact CD1-CZ 4.23Å; F365-F419 HydrophobicContact CD2-CE1 4Å; F365-F419 AromaticContact CD2-CZ 3.98Å; F365-F419 HydrophobicContact CD2-CZ 3.98Å; F365-F419 HydrophobicContact CE1-CZ 4.46Å; F365-F419 HydrophobicContact CE2-CZ 4.25Å; F365-F419 HydrophobicContact CG-CD1 4.36Å; F365-F419 AromaticContact CG-CE1 3.64Å; F365-F419 HydrophobicContact CG-CE1 3.64Å; F365-F419 AromaticContact CG-CZ 3.97Å; F365-F419 HydrophobicContact CG-CZ 3.97Å; F365-F419 HydrophobicContact CZ-CZ 4.48Å; V406-F419 HydrophobicContact CG1-CE2 3.88Å; V406-F419 HydrophobicContact CG1-CZ 3.94Å; V410-F419 HydrophobicContact CG2-CD2 4.46Å; V410-F419 HydrophobicContact CG2-CE2 3.87Å; F417-F419 VanDerWaalsContact C-N 3.31Å; F417-F419 HydrophobicContact CB-CE2 4.4Å; F417-F419 HydrophobicContact CB-CZ 4.48Å; F417-F419 AromaticContact CD1-CE1 3.89Å; F417-F419 HydrophobicContact CD1-CE1 3.89Å; F417-F419 AromaticContact CD1-CE2 3.87Å; F417-F419 HydrophobicContact CD1-CE2 3.87Å; F417-F419 AromaticContact CD1-CZ 3.38Å; F417-F419 HydrophobicContact CD1-CZ 3.38Å; F417-F419 AromaticContact CE1-CZ 3.99Å; F417-F419 HydrophobicContact CE1-CZ 3.99Å; F417-F419 HydrophobicContact CG-CE2 4.44Å; F417-F419 HydrophobicContact CG-CZ 4.32Å; F419-Y423 HydrophobicContact CB-CD1 3.75Å; F419-Y423 HydrophobicContact CB-CD2 3.99Å; F419-Y423 HydrophobicContact CB-CE1 4.43Å; F419-Y423 HydrophobicContact CB-CG 3.54Å; F419-Y423 HydrophobicContact CD2-CD1 4.14Å; F419-Y423 AromaticContact CG-CD1 3.95Å; F419-Y423 HydrophobicContact CG-CD1 3.95Å; F419-Y423 HydrophobicContact CG-CE1 4.46Å; F419-Y423 HydrophobicContact CG-CG 4.25Å; F419-L424 HydrophobicContact CD2-CD2 4.06Å; F419-L424 HydrophobicContact CD2-CG 4.15Å; F419-L424 HydrophobicContact CE2-CD1 4.27Å; F419-L424 HydrophobicContact CE2-CD2 3.72Å; F419-L424 HydrophobicContact CE2-CG 4.1Å; F419-L474 WeakPolarHBondContact CA-O 3.37Å |
| 420 | N | 95.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | trans | -98.4 | -179.8 | 177 | 64.1 | 28.7 | 0 | 0 | 0 | 112.1 | R422 Y423 E473 L474 R475 N476 L517 | N420-R422 VanDerWaalsContact C-N 3.26Å; N420-R422 PolarHBondContact O-N 3.27Å; N420-R422 WeakPolarHBondContact OD1-CA 3.38Å; N420-R422 VanDerWaalsContact OD1-CB 3.25Å; N420-R422 WeakPolarHBondContact OD1-CB 3.32Å; N420-R422 PolarHBondContact OD1-N 3.38Å; N420-Y423 VanDerWaalsContact O-CB 3.29Å; N420-Y423 WeakPolarHBondContact O-CB 3.49Å; N420-Y423 PolarHBondContact O-N 3.07Å; N420-Y423 VanDerWaalsContact O-N 3.14Å; N420-Y423 PolarHBondContact OD1-N 2.94Å; N420-E473 PolarHBondContact ND2-O 3.49Å; N420-L474 PolarHBondContact N-O 3.03Å; N420-L474 VanDerWaalsContact ND2-C 3.28Å; N420-L474 PolarHBondContact ND2-O 2.93Å; N420-L474 PolarHBondContact OD1-O 3.03Å; N420-R475 PolarHBondContact ND2-O 2.84Å; N420-N476 HydrophobicContact CB-CB 4.17Å; N420-L517 HydrophobicContact CB-CD1 4.16Å; N420-L517 HydrophobicContact CB-CD2 4.13Å | ||
| 421 | E | 93.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.2 | -37.8 | 175.4 | 178.5 | -176.6 | -144.3 | 0 | 0 | 112.9 | W407 Y423 L424 I425 W500 S502 L515 L517 | W407-E421 PolarHBondContact NE1-OE1 3.28Å; E421-Y423 VanDerWaalsContact C-N 3.27Å; E421-Y423 PolarHBondContact O-N 3.24Å; E421-L424 PolarHBondContact O-N 2.86Å; E421-L424 VanDerWaalsContact O-N 3.16Å; E421-I425 HydrophobicContact CG-CD1 3.77Å; E421-I425 HydrophobicContact CG-CG1 4.27Å; E421-I425 WeakPolarHBondContact O-CB 3.5Å; E421-I425 WeakPolarHBondContact O-CG1 3.42Å; E421-I425 PolarHBondContact O-N 3.22Å; E421-W500 HydrophobicContact CG-CZ2 4.03Å; E421-W500 PolarHBondContact OE1-NE1 2.94Å; E421-S502 WeakPolarHBondContact OE1-CB 3.5Å; E421-S502 PolarHBondContact OE1-OG 2.98Å; E421-S502 PolarHBondContact OE2-OG 2.72Å; E421-L515 WeakPolarHBondContact OE2-CD2 3.29Å; E421-L517 HydrophobicContact CB-CD2 4.43Å |
| 422 | R | 92.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 19.9 Ų | 19.9 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 178.1 | -177 | 178.6 | -69.5 | 119.6 | 6.1 | 111.7 | N420 L424 I425 T426 E473 L474 N518 | N420-R422 VanDerWaalsContact C-N 3.26Å; N420-R422 PolarHBondContact O-N 3.27Å; N420-R422 WeakPolarHBondContact OD1-CA 3.38Å; N420-R422 VanDerWaalsContact OD1-CB 3.25Å; N420-R422 WeakPolarHBondContact OD1-CB 3.32Å; N420-R422 PolarHBondContact OD1-N 3.38Å; R422-L424 PolarHBondContact O-N 3.05Å; R422-I425 PolarHBondContact O-N 2.97Å; R422-T426 WeakPolarHBondContact O-CB 3.34Å; R422-T426 PolarHBondContact O-N 2.96Å; R422-T426 PolarHBondContact O-OG1 3.32Å; R422-E473 PolarHBondContact NH1-O 3.1Å; R422-L474 HydrophobicContact CB-CD2 4.23Å; R422-L474 HydrophobicContact CG-CD2 3.68Å; R422-N518 PolarHBondContact NH2-OD1 3.18Å |
| 423 | Y | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 174.7 | -177.9 | -83.2 | 0 | 0 | 0 | 112 | I362 F365 Q366 F419 N420 E421 T426 L427 M467 L474 | I362-Y423 HydrophobicContact CG1-CD2 4.45Å; I362-Y423 HydrophobicContact CG1-CE2 4.3Å; I362-Y423 HydrophobicContact CG2-CE2 3.91Å; F365-Y423 AromaticContact CD1-CE1 3.67Å; F365-Y423 HydrophobicContact CD1-CE1 3.67Å; F365-Y423 AromaticContact CE1-CE1 3.97Å; F365-Y423 HydrophobicContact CE1-CE1 3.97Å; Q366-Y423 WeakPolarHBondContact CG-OH 3.39Å; Q366-Y423 PolarHBondContact NE2-OH 3.02Å; F419-Y423 HydrophobicContact CB-CD1 3.75Å; F419-Y423 HydrophobicContact CB-CD2 3.99Å; F419-Y423 HydrophobicContact CB-CE1 4.43Å; F419-Y423 HydrophobicContact CB-CG 3.54Å; F419-Y423 HydrophobicContact CD2-CD1 4.14Å; F419-Y423 AromaticContact CG-CD1 3.95Å; F419-Y423 HydrophobicContact CG-CD1 3.95Å; F419-Y423 HydrophobicContact CG-CE1 4.46Å; F419-Y423 HydrophobicContact CG-CG 4.25Å; N420-Y423 VanDerWaalsContact O-CB 3.29Å; N420-Y423 WeakPolarHBondContact O-CB 3.49Å; N420-Y423 PolarHBondContact O-N 3.07Å; N420-Y423 VanDerWaalsContact O-N 3.14Å; N420-Y423 PolarHBondContact OD1-N 2.94Å; E421-Y423 VanDerWaalsContact C-N 3.27Å; E421-Y423 PolarHBondContact O-N 3.24Å; Y423-T426 PolarHBondContact O-N 3.5Å; Y423-L427 HydrophobicContact CD1-CD1 4.03Å; Y423-L427 HydrophobicContact CD1-CG 4.43Å; Y423-L427 HydrophobicContact CE1-CD1 3.49Å; Y423-L427 VanDerWaalsContact CE1-CD1 3.49Å; Y423-L427 HydrophobicContact CE1-CG 4.01Å; Y423-L427 PolarHBondContact O-N 3.06Å; Y423-M467 HydrophobicContact CD1-CE 4.21Å; Y423-M467 HydrophobicContact CD2-CE 3.35Å; Y423-M467 HydrophobicContact CE1-CE 4.12Å; Y423-M467 HydrophobicContact CE2-CE 3.25Å; Y423-M467 HydrophobicContact CE2-SD 4.31Å; Y423-M467 HydrophobicContact CG-CE 3.81Å; Y423-L474 HydrophobicContact CD2-CB 3.94Å; Y423-L474 HydrophobicContact CD2-CD1 3.96Å |
| 424 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 179.7 | -58.9 | 174 | 0 | 0 | 0 | 111.5 | F365 L403 V406 W407 V410 F419 E421 R422 L427 Q428 W500 | F365-L424 HydrophobicContact CE1-CD2 3.8Å; F365-L424 HydrophobicContact CZ-CD2 3.92Å; L403-L424 HydrophobicContact CD2-CD2 4.04Å; V406-L424 HydrophobicContact CB-CD1 4.42Å; V406-L424 HydrophobicContact CB-CD2 4.42Å; V406-L424 HydrophobicContact CG1-CD1 4.02Å; V406-L424 HydrophobicContact CG1-CD2 3.87Å; W407-L424 HydrophobicContact CB-CD1 3.87Å; V410-L424 HydrophobicContact CG2-CD1 4.26Å; F419-L424 HydrophobicContact CD2-CD2 4.06Å; F419-L424 HydrophobicContact CD2-CG 4.15Å; F419-L424 HydrophobicContact CE2-CD1 4.27Å; F419-L424 HydrophobicContact CE2-CD2 3.72Å; F419-L424 HydrophobicContact CE2-CG 4.1Å; E421-L424 PolarHBondContact O-N 2.86Å; E421-L424 VanDerWaalsContact O-N 3.16Å; R422-L424 PolarHBondContact O-N 3.05Å; L424-L427 WeakPolarHBondContact O-CB 3.45Å; L424-L427 PolarHBondContact O-N 2.9Å; L424-Q428 PolarHBondContact O-N 3Å; L424-W500 HydrophobicContact CB-CH2 3.64Å; L424-W500 HydrophobicContact CB-CZ2 4.02Å; L424-W500 HydrophobicContact CD1-CH2 4.31Å |
| 425 | I | 94.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 7% | 0.067 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.6 | -73.7 | 179.9 | 0 | 0 | 0 | 111.1 | E421 R422 L427 Q428 E429 W500 L503 R506 | E421-I425 HydrophobicContact CG-CD1 3.77Å; E421-I425 HydrophobicContact CG-CG1 4.27Å; E421-I425 WeakPolarHBondContact O-CB 3.5Å; E421-I425 WeakPolarHBondContact O-CG1 3.42Å; E421-I425 PolarHBondContact O-N 3.22Å; R422-I425 PolarHBondContact O-N 2.97Å; I425-L427 VanDerWaalsContact C-N 3.35Å; I425-Q428 PolarHBondContact O-N 3.11Å; I425-E429 WeakPolarHBondContact O-CB 3.38Å; I425-E429 PolarHBondContact O-N 2.89Å; I425-W500 HydrophobicContact CD1-CZ2 4.26Å; I425-W500 HydrophobicContact CG1-CH2 4.27Å; I425-W500 HydrophobicContact CG1-CZ2 3.54Å; I425-L503 HydrophobicContact CG1-CD1 4.46Å; I425-R506 VanDerWaalsContact CG2-NE 3.31Å |
| 426 | T | 95.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 5% | 0.049 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 175.8 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | R422 Y423 E429 H430 M467 | R422-T426 WeakPolarHBondContact O-CB 3.34Å; R422-T426 PolarHBondContact O-N 2.96Å; R422-T426 PolarHBondContact O-OG1 3.32Å; Y423-T426 PolarHBondContact O-N 3.5Å; T426-E429 PolarHBondContact O-N 3.2Å; T426-H430 WeakPolarHBondContact O-CB 3.4Å; T426-H430 PolarHBondContact O-CD2 3.45Å; T426-H430 PolarHBondContact O-N 3.09Å; T426-M467 HydrophobicContact CG2-CE 3.91Å; T426-M467 HydrophobicContact CG2-CG 4.22Å; T426-M467 HydrophobicContact CG2-SD 4.32Å |
| 427 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 170.3 | -82.7 | 178 | 0 | 0 | 0 | 111.7 | F365 I369 L403 Y423 L424 I425 E429 H430 L431 F439 L463 W464 M467 | F365-L427 HydrophobicContact CD1-CD1 4.3Å; F365-L427 HydrophobicContact CE1-CD1 3.61Å; I369-L427 HydrophobicContact CD1-CD1 3.97Å; L403-L427 HydrophobicContact CD1-CB 3.99Å; L403-L427 HydrophobicContact CD2-CB 4.42Å; L403-L427 HydrophobicContact CD2-CD1 3.93Å; Y423-L427 HydrophobicContact CD1-CD1 4.03Å; Y423-L427 HydrophobicContact CD1-CG 4.43Å; Y423-L427 HydrophobicContact CE1-CD1 3.49Å; Y423-L427 VanDerWaalsContact CE1-CD1 3.49Å; Y423-L427 HydrophobicContact CE1-CG 4.01Å; Y423-L427 PolarHBondContact O-N 3.06Å; L424-L427 WeakPolarHBondContact O-CB 3.45Å; L424-L427 PolarHBondContact O-N 2.9Å; I425-L427 VanDerWaalsContact C-N 3.35Å; L427-E429 VanDerWaalsContact C-N 3.3Å; L427-E429 PolarHBondContact O-N 2.78Å; L427-H430 PolarHBondContact O-N 3.17Å; L427-L431 WeakPolarHBondContact O-CB 3.42Å; L427-L431 PolarHBondContact O-N 2.99Å; L427-F439 HydrophobicContact CD2-CE2 4.13Å; L427-F439 HydrophobicContact CD2-CZ 4.07Å; L427-L463 HydrophobicContact CD2-CD2 3.85Å; L427-W464 HydrophobicContact CD2-CH2 3.8Å; L427-W464 HydrophobicContact CD2-CZ3 3.57Å; L427-M467 HydrophobicContact CD2-CE 4.5Å; L427-M467 HydrophobicContact CD2-SD 4.04Å; L427-M467 HydrophobicContact CG-CE 4.21Å; L427-M467 HydrophobicContact CG-SD 4.38Å |
| 428 | Q | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 179.6 | -168.5 | -81.7 | -16 | 0 | 0 | 111.7 | T400 L403 L424 I425 L431 Y432 L503 | T400-Q428 HydrophobicContact CG2-CG 3.96Å; L403-Q428 HydrophobicContact CD1-CB 3.8Å; L403-Q428 HydrophobicContact CD1-CG 4.46Å; L424-Q428 PolarHBondContact O-N 3Å; I425-Q428 PolarHBondContact O-N 3.11Å; Q428-L431 WeakPolarHBondContact O-CB 3.31Å; Q428-Y432 HydrophobicContact CG-CE2 4.43Å; Q428-Y432 VanDerWaalsContact NE2-CE2 3.31Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.29Å; Q428-L503 HydrophobicContact CB-CD1 4.28Å; Q428-L503 HydrophobicContact CG-CD1 3.96Å; Q428-L503 HydrophobicContact CG-CD2 4.46Å |
| 429 | E | 93.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 10.9 Ų | 10.9 | 28% | 0.276 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 176.9 | -176 | 172.8 | 168.2 | 0 | 0 | 111.9 | Q53 I425 T426 L427 L431 Y432 S433 R506 | Q53-E429 PolarHBondContact NE2-O 3.47Å; Q53-E429 VanDerWaalsContact NE2-O 3.17Å; I425-E429 WeakPolarHBondContact O-CB 3.38Å; I425-E429 PolarHBondContact O-N 2.89Å; T426-E429 PolarHBondContact O-N 3.2Å; L427-E429 VanDerWaalsContact C-N 3.3Å; L427-E429 PolarHBondContact O-N 2.78Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 3.36Å; E429-Y432 PolarHBondContact O-N 3.41Å; E429-S433 PolarHBondContact O-N 3.12Å; E429-R506 IonicContact OE2-CZ 3.24Å; E429-R506 IonicContact OE2-NH1 3.73Å; E429-R506 PolarHBondContact OE2-NH1 2.86Å; E429-R506 IonicContact OE2-NH2 3.82Å; E429-R506 PolarHBondContact OE2-NH2 3Å |
| 430 | H | 95.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 11 Ų | 11 | 5% | 0.051 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -79.9 | -15.5 | -176.3 | -71.7 | -53.3 | 0 | 0 | 0 | 114.2 | T426 L427 Y432 S433 F436 L463 Y466 | T426-H430 WeakPolarHBondContact O-CB 3.4Å; T426-H430 PolarHBondContact O-CD2 3.45Å; T426-H430 PolarHBondContact O-N 3.09Å; L427-H430 PolarHBondContact O-N 3.17Å; H430-Y432 VanDerWaalsContact C-N 3.25Å; H430-Y432 PolarHBondContact O-N 3.09Å; H430-S433 VanDerWaalsContact CA-OG 3.31Å; H430-S433 WeakPolarHBondContact CA-OG 3.2Å; H430-S433 PolarHBondContact ND1-OG 3.13Å; H430-S433 VanDerWaalsContact ND1-OG 3.12Å; H430-S433 PolarHBondContact O-OG 3.49Å; H430-F436 HydrophobicContact CB-CD2 4.08Å; H430-F436 HydrophobicContact CB-CE2 4.33Å; H430-F436 AromaticContact CE1-CE2 3.66Å; H430-F436 AromaticContact CG-CD2 3.93Å; H430-F436 AromaticContact CG-CE2 3.68Å; H430-F436 AromaticContact ND1-CD2 3.88Å; H430-F436 AromaticContact ND1-CE2 3.45Å; H430-F436 WeakPolarHBondContact ND1-CE2 3.12Å; H430-F436 AromaticContact NE2-CE2 3.99Å; H430-L463 HydrophobicContact CB-CD1 3.6Å; H430-L463 HydrophobicContact CB-CD2 3.83Å; H430-L463 HydrophobicContact CB-CG 4.36Å; H430-Y466 AromaticContact CD2-CE1 3.96Å; H430-Y466 AromaticContact NE2-CE1 3.38Å; H430-Y466 WeakPolarHBondContact NE2-CE1 3.44Å; H430-Y466 AromaticContact NE2-CZ 3.94Å |
| 431 | L | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -51.5 | -47.2 | 161.8 | -178.1 | 68.7 | 0 | 0 | 0 | 110.4 | F380 H386 F399 L427 Q428 E429 F439 | F380-L431 HydrophobicContact CD1-CD1 3.44Å; F380-L431 VanDerWaalsContact CD1-CD1 3.44Å; F380-L431 HydrophobicContact CE1-CD1 3.56Å; H386-L431 PolarHBondContact CE1-O 3.47Å; F399-L431 HydrophobicContact CB-CD2 4.16Å; F399-L431 HydrophobicContact CD1-CD1 3.99Å; F399-L431 HydrophobicContact CD1-CD2 4.01Å; L427-L431 WeakPolarHBondContact O-CB 3.42Å; L427-L431 PolarHBondContact O-N 2.99Å; Q428-L431 WeakPolarHBondContact O-CB 3.31Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 3.36Å; L431-F439 HydrophobicContact CD1-CB 4.11Å; L431-F439 HydrophobicContact CD1-CD1 4.49Å; L431-F439 HydrophobicContact CD1-CD2 4.25Å; L431-F439 HydrophobicContact CD1-CG 4.05Å |
| 432 | Y | 94.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 11.1 Ų | 11.1 | 6% | 0.059 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -96.8 | -14.8 | -175.5 | -61.4 | -73 | 0 | 0 | 0 | 114.5 | K74 T75 C384 T400 Q428 E429 H430 C434 | K74-Y432 HydrophobicContact CB-CD1 3.61Å; K74-Y432 HydrophobicContact CB-CD2 4.28Å; K74-Y432 HydrophobicContact CB-CE1 4.19Å; K74-Y432 HydrophobicContact CB-CG 3.65Å; K74-Y432 HydrophobicContact CD-CD1 3.72Å; K74-Y432 HydrophobicContact CD-CG 4.31Å; K74-Y432 HydrophobicContact CG-CD1 4.19Å; T75-Y432 HydrophobicContact CG2-CD2 3.84Å; T75-Y432 HydrophobicContact CG2-CG 4.38Å; C384-Y432 HydrophobicContact CB-CD1 3.88Å; C384-Y432 HydrophobicContact CB-CE1 3.66Å; T400-Y432 PolarHBondContact OG1-OH 3.35Å; T400-Y432 VanDerWaalsContact OG1-OH 3.13Å; Q428-Y432 HydrophobicContact CG-CE2 4.43Å; Q428-Y432 VanDerWaalsContact NE2-CE2 3.31Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.29Å; E429-Y432 PolarHBondContact O-N 3.41Å; H430-Y432 VanDerWaalsContact C-N 3.25Å; H430-Y432 PolarHBondContact O-N 3.09Å; Y432-C434 PolarHBondContact O-N 3.3Å |
| 433 | S | 93.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 10 Ų | 10 | 6% | 0.056 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.4 | -22.3 | -178 | 72.5 | 0 | 0 | 0 | 0 | 113.9 | C52 E429 H430 Q435 | C52-S433 PolarHBondContact SG-O 3.25Å; E429-S433 PolarHBondContact O-N 3.12Å; H430-S433 VanDerWaalsContact CA-OG 3.31Å; H430-S433 WeakPolarHBondContact CA-OG 3.2Å; H430-S433 PolarHBondContact ND1-OG 3.13Å; H430-S433 VanDerWaalsContact ND1-OG 3.12Å; H430-S433 PolarHBondContact O-OG 3.49Å; S433-Q435 PolarHBondContact O-N 3.32Å; S433-Q435 WeakPolarHBondContact OG-CB 3.49Å; S433-Q435 PolarHBondContact OG-N 2.93Å |
| 434 | C | 94.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.007 | 5% | 0.054 | C | C | . | . | trans | 47.9 | 24.1 | -171.3 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | C52 L108 A110 H386 Y432 L440 | C52-C434 HydrophobicContact CB-CB 4.17Å; L108-C434 HydrophobicContact CB-CB 4.11Å; L108-C434 HydrophobicContact CD1-CB 4.29Å; L108-C434 HydrophobicContact CD2-CB 4.01Å; L108-C434 HydrophobicContact CG-CB 4.37Å; A110-C434 WeakPolarHBondContact CA-O 3.48Å; A110-C434 VanDerWaalsContact CB-O 3.23Å; A110-C434 WeakPolarHBondContact CB-O 3.44Å; A110-C434 PolarHBondContact N-O 2.85Å; H386-C434 PolarHBondContact ND1-SG 2.69Å; Y432-C434 PolarHBondContact O-N 3.3Å; C434-L440 HydrophobicContact CB-CD2 3.99Å | ||
| 435 | Q | 93.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 12.8 Ų | 12.8 | 20% | 0.201 | 6% | 0.063 | C | C | . | . | trans | -85 | -20.9 | -177.4 | -176.7 | -179 | -14.7 | 0 | 0 | 111.9 | A110 Y113 S433 | A110-Q435 WeakPolarHBondContact CA-O 3.46Å; Y113-Q435 HydrophobicContact CD1-CG 3.99Å; Y113-Q435 HydrophobicContact CD2-CG 3.76Å; Y113-Q435 HydrophobicContact CE1-CG 4.12Å; Y113-Q435 HydrophobicContact CE2-CG 3.93Å; Y113-Q435 HydrophobicContact CG-CG 3.83Å; Y113-Q435 PolarHBondContact OH-NE2 3.33Å; S433-Q435 PolarHBondContact O-N 3.32Å; S433-Q435 WeakPolarHBondContact OG-CB 3.49Å; S433-Q435 PolarHBondContact OG-N 2.93Å | ||
| 436 | F | 95.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.022 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -124.3 | 149.6 | -178.4 | -57 | -73.6 | 0 | 0 | 0 | 110 | Y113 H430 T438 L440 Y461 L463 Y466 | Y113-F436 HydrophobicContact CD1-CE1 4.49Å; Y113-F436 AromaticContact CE1-CE1 3.95Å; Y113-F436 HydrophobicContact CE1-CE1 3.95Å; Y113-F436 HydrophobicContact CE1-CZ 4.44Å; H430-F436 HydrophobicContact CB-CD2 4.08Å; H430-F436 HydrophobicContact CB-CE2 4.33Å; H430-F436 AromaticContact CE1-CE2 3.66Å; H430-F436 AromaticContact CG-CD2 3.93Å; H430-F436 AromaticContact CG-CE2 3.68Å; H430-F436 AromaticContact ND1-CD2 3.88Å; H430-F436 AromaticContact ND1-CE2 3.45Å; H430-F436 WeakPolarHBondContact ND1-CE2 3.12Å; H430-F436 AromaticContact NE2-CE2 3.99Å; F436-T438 VanDerWaalsContact C-N 3.27Å; F436-T438 PolarHBondContact O-N 2.97Å; F436-L440 WeakPolarHBondContact O-CG 3.28Å; F436-Y461 CarbonylContact C-O 3.55Å; F436-Y461 WeakPolarHBondContact CA-O 3.36Å; F436-Y461 WeakPolarHBondContact CB-O 3.41Å; F436-L463 HydrophobicContact CB-CB 3.92Å; F436-L463 HydrophobicContact CD2-CB 4.13Å; F436-L463 HydrophobicContact CD2-CD1 3.57Å; F436-L463 HydrophobicContact CD2-CG 4.41Å; F436-L463 HydrophobicContact CE2-CD1 3.68Å; F436-L463 HydrophobicContact CG-CB 3.99Å; F436-L463 HydrophobicContact CG-CD1 4.23Å; F436-L463 HydrophobicContact CZ-CD1 4.44Å; F436-Y466 HydrophobicContact CE1-CD2 4.15Å; F436-Y466 AromaticContact CE1-CG 3.86Å; F436-Y466 HydrophobicContact CE1-CG 3.86Å; F436-Y466 HydrophobicContact CE2-CD1 4.02Å; F436-Y466 HydrophobicContact CE2-CE1 4.45Å; F436-Y466 HydrophobicContact CE2-CG 4.1Å; F436-Y466 AromaticContact CZ-CD1 3.71Å; F436-Y466 HydrophobicContact CZ-CD1 3.71Å; F436-Y466 AromaticContact CZ-CD2 3.61Å; F436-Y466 HydrophobicContact CZ-CD2 3.61Å; F436-Y466 HydrophobicContact CZ-CE1 4.27Å; F436-Y466 HydrophobicContact CZ-CE2 4.18Å; F436-Y466 AromaticContact CZ-CG 3.33Å; F436-Y466 HydrophobicContact CZ-CG 3.33Å |
| 437 | G | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -70.2 | -20.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F439 L440 T460 Y461 | G437-F439 VanDerWaalsContact C-N 3.3Å; G437-F439 PolarHBondContact O-N 3.48Å; G437-F439 VanDerWaalsContact O-N 3.1Å; G437-L440 PolarHBondContact O-N 3.08Å; G437-T460 WeakPolarHBondContact CA-OG1 3.33Å; G437-Y461 PolarHBondContact N-O 2.78Å |
| 438 | T | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -53.4 | -39.1 | -166 | -52.9 | 0 | 0 | 0 | 0 | 114.5 | L374 F436 R447 L463 W464 | L374-T438 HydrophobicContact CD1-CG2 4.05Å; L374-T438 WeakPolarHBondContact CD2-O 3.46Å; F436-T438 VanDerWaalsContact C-N 3.27Å; F436-T438 PolarHBondContact O-N 2.97Å; T438-R447 PolarHBondContact O-NH1 3.34Å; T438-L463 WeakPolarHBondContact OG1-CB 2.79Å; T438-L463 PolarHBondContact OG1-N 3.5Å; T438-W464 HydrophobicContact CG2-CH2 4.37Å; T438-W464 HydrophobicContact CG2-CZ2 3.62Å |
| 439 | F | 96.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -112.9 | 12.9 | -173.6 | -60.3 | -57.5 | 0 | 0 | 0 | 114.4 | I369 L374 F380 H386 F399 L427 L431 G437 C441 L463 W464 | I369-F439 HydrophobicContact CG2-CE1 3.82Å; I369-F439 HydrophobicContact CG2-CZ 4.24Å; L374-F439 HydrophobicContact CD1-CE1 4.24Å; L374-F439 HydrophobicContact CD2-CD1 3.88Å; L374-F439 HydrophobicContact CD2-CE1 4.23Å; F380-F439 WeakPolarHBondContact CB-O 3.49Å; F380-F439 HydrophobicContact CD1-CB 4.13Å; F380-F439 AromaticContact CD1-CD1 3.99Å; F380-F439 HydrophobicContact CD1-CD1 3.99Å; F380-F439 HydrophobicContact CD1-CG 4.36Å; F380-F439 HydrophobicContact CD2-CD1 4.41Å; F380-F439 AromaticContact CE1-CD1 3.62Å; F380-F439 HydrophobicContact CE1-CD1 3.62Å; F380-F439 HydrophobicContact CE1-CE1 4.13Å; F380-F439 HydrophobicContact CE1-CG 4.31Å; F380-F439 HydrophobicContact CE2-CD1 4.09Å; F380-F439 HydrophobicContact CG-CB 4.32Å; F380-F439 HydrophobicContact CG-CD1 4.36Å; F380-F439 AromaticContact CZ-CD1 3.67Å; F380-F439 HydrophobicContact CZ-CD1 3.67Å; F380-F439 AromaticContact CZ-CE1 3.96Å; F380-F439 HydrophobicContact CZ-CE1 3.96Å; H386-F439 PolarHBondContact CD2-O 3.25Å; H386-F439 PolarHBondContact NE2-O 3.47Å; F399-F439 HydrophobicContact CE1-CE1 4.49Å; F399-F439 HydrophobicContact CE1-CZ 4.29Å; F399-F439 HydrophobicContact CZ-CE1 4.42Å; F399-F439 HydrophobicContact CZ-CZ 4.42Å; L427-F439 HydrophobicContact CD2-CE2 4.13Å; L427-F439 HydrophobicContact CD2-CZ 4.07Å; L431-F439 HydrophobicContact CD1-CB 4.11Å; L431-F439 HydrophobicContact CD1-CD1 4.49Å; L431-F439 HydrophobicContact CD1-CD2 4.25Å; L431-F439 HydrophobicContact CD1-CG 4.05Å; G437-F439 VanDerWaalsContact C-N 3.3Å; G437-F439 PolarHBondContact O-N 3.48Å; G437-F439 VanDerWaalsContact O-N 3.1Å; F439-C441 PolarHBondContact O-N 2.9Å; F439-L463 HydrophobicContact CD2-CD2 4.19Å; F439-L463 HydrophobicContact CE2-CD2 3.5Å; F439-L463 HydrophobicContact CZ-CD2 4.39Å; F439-W464 AromaticContact CZ-CH2 3.81Å; F439-W464 HydrophobicContact CZ-CH2 3.81Å; F439-W464 HydrophobicContact CZ-CZ2 4.24Å |
| 440 | L | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -79.9 | -19.5 | -169.2 | -58.7 | -173.4 | 0 | 0 | 0 | 115.4 | I105 L108 A110 F111 S381 C434 F436 G437 L456 | I105-L440 HydrophobicContact CG2-CB 4.5Å; L108-L440 HydrophobicContact CD1-CD1 4.29Å; L108-L440 HydrophobicContact CD1-CD2 3.94Å; A110-L440 HydrophobicContact CB-CD1 3.62Å; F111-L440 HydrophobicContact CE2-CD1 3.99Å; S381-L440 WeakPolarHBondContact CB-O 3.35Å; C434-L440 HydrophobicContact CB-CD2 3.99Å; F436-L440 WeakPolarHBondContact O-CG 3.28Å; G437-L440 PolarHBondContact O-N 3.08Å; L440-L456 HydrophobicContact CD1-CD1 4.19Å |
| 441 | C | 93.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | trans | -109.4 | 159.1 | -170.4 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | F439 E446 R447 | F439-C441 PolarHBondContact O-N 2.9Å; C441-E446 HydrophobicContact CB-CB 3.82Å; C441-R447 HydrophobicContact CB-CG 3.69Å | ||
| 442 | N | 94.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -90.2 | -11.8 | 178.6 | -71.5 | -39.7 | 0 | 0 | 0 | 114.1 | G377 K379 F380 S381 D382 E446 | G377-N442 CarbonylContact C-O 3.58Å; K379-N442 WeakPolarHBondContact CA-OD1 3.5Å; K379-N442 HydrophobicContact CB-CB 4.17Å; K379-N442 WeakPolarHBondContact CB-OD1 3.1Å; K379-N442 HydrophobicContact CG-CB 4.27Å; K379-N442 PolarHBondContact O-OD1 3.4Å; F380-N442 PolarHBondContact N-OD1 2.97Å; S381-N442 WeakPolarHBondContact CB-OD1 3.44Å; S381-N442 PolarHBondContact N-OD1 3.38Å; D382-N442 VanDerWaalsContact CG-ND2 3.31Å; D382-N442 PolarHBondContact N-OD1 3.42Å; D382-N442 VanDerWaalsContact N-OD1 3.08Å; D382-N442 PolarHBondContact OD1-ND2 2.82Å; N442-E446 WeakPolarHBondContact CB-OE1 3.32Å; N442-E446 WeakPolarHBondContact CB-OE2 3.33Å; N442-E446 PolarHBondContact N-OE2 3.11Å |
| 443 | S | 93.3 | Very high | 85 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -152.4 | 161 | -174.9 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | K445 E446 R447 | S443-K445 PolarHBondContact O-N 3.05Å; S443-E446 PolarHBondContact O-N 3.14Å; S443-E446 VanDerWaalsContact OG-CD 3.28Å; S443-E446 WeakPolarHBondContact OG-CG 3.09Å; S443-E446 PolarHBondContact OG-N 2.91Å; S443-E446 PolarHBondContact OG-OE1 2.88Å; S443-R447 WeakPolarHBondContact O-CG 3.43Å; S443-R447 PolarHBondContact O-N 3.11Å |
| 444 | H | 92.1 | Very high | 83.7 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | 170.9 | -168.9 | 60.3 | 0 | 0 | 0 | 112 | F154 M375 R447 L448 | F154-H444 HydrophobicContact CE1-CB 4.19Å; F154-H444 AromaticContact CE1-CD2 3.91Å; F154-H444 AromaticContact CZ-CD2 3.82Å; M375-H444 WeakPolarHBondContact O-CB 3Å; H444-R447 PolarHBondContact O-N 3.29Å; H444-L448 VanDerWaalsContact NE2-CD1 3.27Å; H444-L448 WeakPolarHBondContact NE2-CD1 3.33Å; H444-L448 PolarHBondContact O-N 2.89Å |
| 445 | K | 92.3 | Very high | 83 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -55.9 | 173.5 | 179.6 | 177.4 | 172.6 | 173 | 0 | 111.8 | F154 E158 S443 R447 L448 E449 | F154-K445 HydrophobicContact CB-CB 4.39Å; F154-K445 HydrophobicContact CB-CD 3.84Å; F154-K445 HydrophobicContact CB-CG 4.26Å; F154-K445 HydrophobicContact CD1-CB 3.7Å; F154-K445 HydrophobicContact CD1-CG 4.37Å; F154-K445 HydrophobicContact CD2-CB 3.71Å; F154-K445 HydrophobicContact CD2-CD 4.08Å; F154-K445 HydrophobicContact CD2-CG 3.57Å; F154-K445 HydrophobicContact CE1-CB 3.79Å; F154-K445 HydrophobicContact CE2-CB 3.83Å; F154-K445 HydrophobicContact CE2-CG 3.97Å; F154-K445 HydrophobicContact CG-CB 3.65Å; F154-K445 HydrophobicContact CG-CD 3.95Å; F154-K445 HydrophobicContact CG-CG 3.8Å; F154-K445 HydrophobicContact CZ-CB 3.86Å; E158-K445 HydrophobicContact CB-CD 4.06Å; E158-K445 HydrophobicContact CG-CD 3.95Å; E158-K445 IonicContact OE1-NZ 3.58Å; E158-K445 PolarHBondContact OE1-NZ 2.78Å; S443-K445 PolarHBondContact O-N 3.05Å; K445-R447 PolarHBondContact O-N 3.28Å; K445-L448 PolarHBondContact O-N 3.29Å; K445-L448 VanDerWaalsContact O-N 3.08Å; K445-E449 WeakPolarHBondContact CE-OE1 3.38Å; K445-E449 HydrophobicContact CG-CG 4.23Å; K445-E449 IonicContact NZ-OE1 3.61Å; K445-E449 WeakPolarHBondContact O-CG 3.09Å; K445-E449 PolarHBondContact O-N 2.98Å |
| 446 | E | 91 | Very high | 82.8 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -34.9 | 178.3 | -74.9 | 158.8 | -126.5 | 0 | 0 | 112.4 | C441 N442 S443 Y454 | C441-E446 HydrophobicContact CB-CB 3.82Å; N442-E446 WeakPolarHBondContact CB-OE1 3.32Å; N442-E446 WeakPolarHBondContact CB-OE2 3.33Å; N442-E446 PolarHBondContact N-OE2 3.11Å; S443-E446 PolarHBondContact O-N 3.14Å; S443-E446 VanDerWaalsContact OG-CD 3.28Å; S443-E446 WeakPolarHBondContact OG-CG 3.09Å; S443-E446 PolarHBondContact OG-N 2.91Å; S443-E446 PolarHBondContact OG-OE1 2.88Å; E446-Y454 PolarHBondContact O-OH 3.49Å; E446-Y454 VanDerWaalsContact O-OH 3.13Å |
| 447 | R | 89.1 | Confident | 82.4 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | 177.3 | -69 | 174.2 | 54.3 | 146.4 | -17 | 113.4 | E370 L374 T438 C441 S443 H444 K445 L456 | E370-R447 IonicContact OE1-NH2 3.72Å; E370-R447 IonicContact OE2-CZ 2.88Å; E370-R447 IonicContact OE2-NH1 3.47Å; E370-R447 IonicContact OE2-NH2 3.23Å; E370-R447 PolarHBondContact OE2-NH2 2.93Å; L374-R447 VanDerWaalsContact CB-NH1 3.29Å; T438-R447 PolarHBondContact O-NH1 3.34Å; C441-R447 HydrophobicContact CB-CG 3.69Å; S443-R447 WeakPolarHBondContact O-CG 3.43Å; S443-R447 PolarHBondContact O-N 3.11Å; H444-R447 PolarHBondContact O-N 3.29Å; K445-R447 PolarHBondContact O-N 3.28Å; R447-L456 HydrophobicContact CB-CD2 4.25Å; R447-L456 HydrophobicContact CG-CD2 3.9Å |
| 448 | L | 86.1 | Confident | 82.1 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -93.3 | -19.6 | -174.9 | -72.2 | -167.8 | 0 | 0 | 0 | 114.3 | F154 H444 K445 T450 | F154-L448 HydrophobicContact CZ-CD1 4.21Å; H444-L448 VanDerWaalsContact NE2-CD1 3.27Å; H444-L448 WeakPolarHBondContact NE2-CD1 3.33Å; H444-L448 PolarHBondContact O-N 2.89Å; K445-L448 PolarHBondContact O-N 3.29Å; K445-L448 VanDerWaalsContact O-N 3.08Å; L448-T450 PolarHBondContact O-N 2.66Å |
| 449 | E | 75.7 | Confident | 81.9 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | trans | -56.4 | 102.3 | -175.9 | -90 | 179.9 | 173.2 | 0 | 0 | 111.3 | K445 K451 S452 | K445-E449 WeakPolarHBondContact CE-OE1 3.38Å; K445-E449 HydrophobicContact CG-CG 4.23Å; K445-E449 IonicContact NZ-OE1 3.61Å; K445-E449 WeakPolarHBondContact O-CG 3.09Å; K445-E449 PolarHBondContact O-N 2.98Å; E449-K451 PolarHBondContact O-N 3.35Å; E449-S452 WeakPolarHBondContact O-CB 3.17Å; E449-S452 PolarHBondContact O-N 2.79Å | ||
| 450 | T | 55.5 | Low | 81.8 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 65% | 0.65 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.5 | 174.8 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | L448 | L448-T450 PolarHBondContact O-N 2.66Š|
| 451 | K | 53.4 | Low | 81.8 | Confident | 201 Ų | 201 | 55.3 Ų | 55.3 | 87% | 0.874 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -14.7 | 169.4 | -66 | -174.2 | -177.9 | 178.5 | 0 | 112.5 | E449 | E449-K451 PolarHBondContact O-N 3.35Š|
| 452 | S | 56 | Low | 81.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -63 | 132 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | E449 Y454 K455 | E449-S452 WeakPolarHBondContact O-CB 3.17Å; E449-S452 PolarHBondContact O-N 2.79Å; S452-Y454 PolarHBondContact O-N 2.88Å; S452-Y454 WeakPolarHBondContact OG-CD1 3.31Å; S452-Y454 WeakPolarHBondContact OG-CE1 3.06Å; S452-K455 PolarHBondContact O-N 3.23Å |
| 453 | P | 54.9 | Low | 82 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 62% | 0.623 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.3 | -177.6 | 21.7 | -33.6 | 0 | 0 | 0 | 113.7 | E106 K459 | E106-P453 WeakPolarHBondContact OE1-CG 3.3Å; P453-K459 PolarHBondContact O-NZ 3.48Å |
| 454 | Y | 66.1 | Low | 82.1 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -19.3 | -170.7 | 56.5 | -106 | 0 | 0 | 0 | 116.7 | E106 F111 E446 S452 L456 K459 | E106-Y454 HydrophobicContact CG-CD1 4.23Å; E106-Y454 HydrophobicContact CG-CG 4.42Å; E106-Y454 WeakPolarHBondContact OE1-CD1 3.45Å; F111-Y454 HydrophobicContact CE1-CD2 4.49Å; F111-Y454 HydrophobicContact CE1-CG 4.41Å; F111-Y454 HydrophobicContact CZ-CD2 4.23Å; F111-Y454 HydrophobicContact CZ-CG 4.26Å; E446-Y454 PolarHBondContact O-OH 3.49Å; E446-Y454 VanDerWaalsContact O-OH 3.13Å; S452-Y454 PolarHBondContact O-N 2.88Å; S452-Y454 WeakPolarHBondContact OG-CD1 3.31Å; S452-Y454 WeakPolarHBondContact OG-CE1 3.06Å; Y454-L456 HydrophobicContact CD2-CB 4.12Å; Y454-L456 HydrophobicContact CE2-CB 4.21Å; Y454-L456 PolarHBondContact O-N 2.98Å; Y454-K459 WeakPolarHBondContact O-CD 3.38Å; Y454-K459 WeakPolarHBondContact O-CE 3.39Å; Y454-K459 VanDerWaalsContact O-CG 3.27Å; Y454-K459 WeakPolarHBondContact O-CG 3.38Å |
| 455 | K | 79.8 | Confident | 82.3 | Confident | 86 Ų | 86 | 53 Ų | 53 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | 40.9 | 66.2 | 178.3 | -57.7 | -167.3 | 176.9 | -171.4 | 0 | 113.6 | S452 C457 E458 K459 | S452-K455 PolarHBondContact O-N 3.23Å; K455-C457 PolarHBondContact O-N 3.41Å; K455-C457 VanDerWaalsContact O-N 3.16Å; K455-E458 HydrophobicContact CB-CB 4.02Å; K455-E458 HydrophobicContact CB-CG 4.4Å; K455-E458 VanDerWaalsContact CD-CD 3.46Å; K455-E458 WeakPolarHBondContact CD-OE2 3.34Å; K455-E458 IonicContact NZ-OE1 2.83Å; K455-E458 IonicContact NZ-OE2 3.65Å; K455-E458 PolarHBondContact NZ-OE2 2.72Å; K455-E458 WeakPolarHBondContact O-CA 3.49Å; K455-E458 WeakPolarHBondContact O-CB 2.93Å; K455-E458 PolarHBondContact O-N 2.83Å; K455-K459 PolarHBondContact O-N 2.92Å | ||
| 456 | L | 88.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -44.2 | -54.9 | -163.2 | -175.1 | 70.1 | 0 | 0 | 0 | 114.6 | F111 W126 L440 R447 Y454 E458 K459 T460 | F111-L456 HydrophobicContact CZ-CD1 3.91Å; W126-L456 HydrophobicContact CH2-CD2 4.28Å; W126-L456 HydrophobicContact CH2-CG 4.28Å; L440-L456 HydrophobicContact CD1-CD1 4.19Å; R447-L456 HydrophobicContact CB-CD2 4.25Å; R447-L456 HydrophobicContact CG-CD2 3.9Å; Y454-L456 HydrophobicContact CD2-CB 4.12Å; Y454-L456 HydrophobicContact CE2-CB 4.21Å; Y454-L456 PolarHBondContact O-N 2.98Å; L456-E458 VanDerWaalsContact C-N 3.29Å; L456-E458 PolarHBondContact O-N 3.35Å; L456-K459 PolarHBondContact O-N 2.99Å; L456-T460 HydrophobicContact CD1-CG2 4.16Å; L456-T460 WeakPolarHBondContact O-CB 3.49Å; L456-T460 PolarHBondContact O-N 3.29Å; L456-T460 PolarHBondContact O-OG1 2.87Å |
| 457 | C | 87.5 | Confident | 82.5 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68 | -26.8 | -177.4 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | W126 K455 | W126-C457 HydrophobicContact CD2-CB 3.98Å; W126-C457 HydrophobicContact CE3-CB 4.37Å; W126-C457 HydrophobicContact CG-CB 4.19Å; K455-C457 PolarHBondContact O-N 3.41Å; K455-C457 VanDerWaalsContact O-N 3.16Å |
| 458 | E | 88.3 | Confident | 82.7 | Confident | 116 Ų | 116 | 52.2 Ų | 52.2 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -83.6 | -11.9 | 178.4 | -66.4 | 179 | -146.6 | 0 | 0 | 113.4 | Q122 K455 L456 | Q122-E458 PolarHBondContact NE2-O 2.78Å; K455-E458 HydrophobicContact CB-CB 4.02Å; K455-E458 HydrophobicContact CB-CG 4.4Å; K455-E458 VanDerWaalsContact CD-CD 3.46Å; K455-E458 WeakPolarHBondContact CD-OE2 3.34Å; K455-E458 IonicContact NZ-OE1 2.83Å; K455-E458 IonicContact NZ-OE2 3.65Å; K455-E458 PolarHBondContact NZ-OE2 2.72Å; K455-E458 WeakPolarHBondContact O-CA 3.49Å; K455-E458 WeakPolarHBondContact O-CB 2.93Å; K455-E458 PolarHBondContact O-N 2.83Å; L456-E458 VanDerWaalsContact C-N 3.29Å; L456-E458 PolarHBondContact O-N 3.35Å |
| 459 | K | 91.1 | Very high | 82.8 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -123.8 | -4.3 | -177 | -61.4 | -163.2 | -167.7 | 169.3 | 0 | 114.9 | F111 P453 Y454 K455 L456 | F111-K459 HydrophobicContact CD1-CB 3.95Å; F111-K459 HydrophobicContact CE1-CB 4.15Å; P453-K459 PolarHBondContact O-NZ 3.48Å; Y454-K459 WeakPolarHBondContact O-CD 3.38Å; Y454-K459 WeakPolarHBondContact O-CE 3.39Å; Y454-K459 VanDerWaalsContact O-CG 3.27Å; Y454-K459 WeakPolarHBondContact O-CG 3.38Å; K455-K459 PolarHBondContact O-N 2.92Å; L456-K459 PolarHBondContact O-N 2.99Å |
| 460 | T | 94.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -136.7 | 156.6 | -175.4 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | A110 F111 W126 G437 L456 | A110-T460 HydrophobicContact CB-CG2 3.88Å; F111-T460 HydrophobicContact CD1-CG2 3.65Å; F111-T460 HydrophobicContact CD2-CG2 4.24Å; F111-T460 HydrophobicContact CE1-CG2 3.51Å; F111-T460 HydrophobicContact CE2-CG2 4.11Å; F111-T460 HydrophobicContact CG-CG2 4.02Å; F111-T460 HydrophobicContact CZ-CG2 3.78Å; W126-T460 WeakPolarHBondContact CZ2-OG1 3.27Å; W126-T460 PolarHBondContact NE1-O 2.88Å; G437-T460 WeakPolarHBondContact CA-OG1 3.33Å; L456-T460 HydrophobicContact CD1-CG2 4.16Å; L456-T460 WeakPolarHBondContact O-CB 3.49Å; L456-T460 PolarHBondContact O-N 3.29Å; L456-T460 PolarHBondContact O-OG1 2.87Å |
| 461 | Y | 95 | Very high | 85 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | trans | -84.6 | 145.8 | 174.4 | -66.2 | -98.4 | 0 | 0 | 0 | 110.7 | Y113 P115 L120 Q122 F436 G437 | Y113-Y461 AromaticContact CD1-CD2 3.74Å; Y113-Y461 HydrophobicContact CD1-CD2 3.74Å; Y113-Y461 HydrophobicContact CD1-CE2 4.31Å; Y113-Y461 HydrophobicContact CD1-CG 4.24Å; Y113-Y461 HydrophobicContact CE1-CD2 4.37Å; Y113-Y461 WeakPolarHBondContact O-CE2 3.45Å; P115-Y461 VanDerWaalsContact CD-CZ 3.45Å; P115-Y461 WeakPolarHBondContact CD-OH 3.18Å; P115-Y461 HydrophobicContact CG-CD1 3.99Å; P115-Y461 HydrophobicContact CG-CD2 4.3Å; P115-Y461 HydrophobicContact CG-CE1 3.48Å; P115-Y461 VanDerWaalsContact CG-CE1 3.48Å; P115-Y461 HydrophobicContact CG-CE2 3.87Å; P115-Y461 HydrophobicContact CG-CG 4.37Å; P115-Y461 VanDerWaalsContact CG-CZ 3.43Å; L120-Y461 HydrophobicContact CD2-CD1 3.9Å; L120-Y461 HydrophobicContact CD2-CE1 4.47Å; L120-Y461 HydrophobicContact CG-CD1 3.8Å; L120-Y461 HydrophobicContact CG-CE1 4.16Å; Q122-Y461 VanDerWaalsContact CA-CE1 3.49Å; Q122-Y461 HydrophobicContact CB-CD1 4.28Å; Q122-Y461 HydrophobicContact CB-CE1 3.93Å; Q122-Y461 HydrophobicContact CG-CD1 4.24Å; Q122-Y461 HydrophobicContact CG-CD2 4.23Å; Q122-Y461 HydrophobicContact CG-CE1 4.17Å; Q122-Y461 HydrophobicContact CG-CE2 4.14Å; Q122-Y461 HydrophobicContact CG-CG 4.27Å; F436-Y461 CarbonylContact C-O 3.55Å; F436-Y461 WeakPolarHBondContact CA-O 3.36Å; F436-Y461 WeakPolarHBondContact CB-O 3.41Å; G437-Y461 PolarHBondContact N-O 2.78Å | ||
| 462 | S | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -79.1 | 139.3 | 169.4 | 179.1 | 0 | 0 | 0 | 0 | 111 | D124 G125 W464 G465 Y466 | D124-S462 WeakPolarHBondContact O-CB 3.45Å; G125-S462 PolarHBondContact O-OG 2.93Å; G125-S462 VanDerWaalsContact O-OG 3.06Å; S462-W464 PolarHBondContact O-N 2.98Å; S462-W464 PolarHBondContact OG-N 3.39Å; S462-G465 PolarHBondContact O-N 3.5Å; S462-Y466 PolarHBondContact O-N 3.44Å | ||
| 463 | L | 96.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -30.9 | 170.8 | 177.2 | 60.1 | 0 | 0 | 0 | 111.2 | L427 H430 F436 T438 F439 Y466 M467 | L427-L463 HydrophobicContact CD2-CD2 3.85Å; H430-L463 HydrophobicContact CB-CD1 3.6Å; H430-L463 HydrophobicContact CB-CD2 3.83Å; H430-L463 HydrophobicContact CB-CG 4.36Å; F436-L463 HydrophobicContact CB-CB 3.92Å; F436-L463 HydrophobicContact CD2-CB 4.13Å; F436-L463 HydrophobicContact CD2-CD1 3.57Å; F436-L463 HydrophobicContact CD2-CG 4.41Å; F436-L463 HydrophobicContact CE2-CD1 3.68Å; F436-L463 HydrophobicContact CG-CB 3.99Å; F436-L463 HydrophobicContact CG-CD1 4.23Å; F436-L463 HydrophobicContact CZ-CD1 4.44Å; T438-L463 WeakPolarHBondContact OG1-CB 2.79Å; T438-L463 PolarHBondContact OG1-N 3.5Å; F439-L463 HydrophobicContact CD2-CD2 4.19Å; F439-L463 HydrophobicContact CE2-CD2 3.5Å; F439-L463 HydrophobicContact CZ-CD2 4.39Å; L463-Y466 HydrophobicContact CD1-CD1 3.97Å; L463-Y466 WeakPolarHBondContact O-CB 3.33Å; L463-Y466 PolarHBondContact O-N 2.82Å; L463-M467 HydrophobicContact CD1-CG 3.79Å; L463-M467 HydrophobicContact CD1-SD 3.98Å; L463-M467 HydrophobicContact CD2-SD 4.02Å; L463-M467 HydrophobicContact CG-CG 4.02Å; L463-M467 HydrophobicContact CG-SD 3.73Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 2.89Å |
| 464 | W | 96.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 179.8 | -49.6 | 140.7 | 0 | 0 | 0 | 112 | N129 Q366 I369 E370 L427 T438 F439 S462 Y466 M467 A468 | N129-W464 VanDerWaalsContact ND2-CD1 3.33Å; N129-W464 VanDerWaalsContact ND2-CG 3.33Å; Q366-W464 HydrophobicContact CB-CD2 4.43Å; Q366-W464 HydrophobicContact CG-CD2 4.08Å; Q366-W464 HydrophobicContact CG-CE3 3.72Å; Q366-W464 HydrophobicContact CG-CH2 4.27Å; Q366-W464 HydrophobicContact CG-CZ3 3.83Å; I369-W464 HydrophobicContact CD1-CH2 4.3Å; I369-W464 HydrophobicContact CG2-CH2 4.32Å; I369-W464 HydrophobicContact CG2-CZ2 4.25Å; E370-W464 HydrophobicContact CG-CZ2 4.48Å; E370-W464 PolarHBondContact OE1-NE1 2.84Å; L427-W464 HydrophobicContact CD2-CH2 3.8Å; L427-W464 HydrophobicContact CD2-CZ3 3.57Å; T438-W464 HydrophobicContact CG2-CH2 4.37Å; T438-W464 HydrophobicContact CG2-CZ2 3.62Å; F439-W464 AromaticContact CZ-CH2 3.81Å; F439-W464 HydrophobicContact CZ-CH2 3.81Å; F439-W464 HydrophobicContact CZ-CZ2 4.24Å; S462-W464 PolarHBondContact O-N 2.98Å; S462-W464 PolarHBondContact OG-N 3.39Å; W464-Y466 VanDerWaalsContact C-N 3.31Å; W464-Y466 PolarHBondContact O-N 3.44Å; W464-M467 HydrophobicContact CE3-SD 4.28Å; W464-M467 HydrophobicContact CZ3-SD 4.15Å; W464-M467 PolarHBondContact O-N 3.39Å; W464-A468 WeakPolarHBondContact O-CB 3.34Å; W464-A468 PolarHBondContact O-N 2.92Å |
| 465 | G | 94.6 | Very high | 91 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D124 S462 | D124-G465 WeakPolarHBondContact O-CA 2.97Å; S462-G465 PolarHBondContact O-N 3.5Å |
| 466 | Y | 94.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 18% | 0.184 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -50.5 | 175.4 | 173.6 | -99.2 | 0 | 0 | 0 | 112.8 | L120 H430 F436 S462 L463 W464 A468 R469 K470 | L120-Y466 HydrophobicContact CD2-CD2 4.4Å; H430-Y466 AromaticContact CD2-CE1 3.96Å; H430-Y466 AromaticContact NE2-CE1 3.38Å; H430-Y466 WeakPolarHBondContact NE2-CE1 3.44Å; H430-Y466 AromaticContact NE2-CZ 3.94Å; F436-Y466 HydrophobicContact CE1-CD2 4.15Å; F436-Y466 AromaticContact CE1-CG 3.86Å; F436-Y466 HydrophobicContact CE1-CG 3.86Å; F436-Y466 HydrophobicContact CE2-CD1 4.02Å; F436-Y466 HydrophobicContact CE2-CE1 4.45Å; F436-Y466 HydrophobicContact CE2-CG 4.1Å; F436-Y466 AromaticContact CZ-CD1 3.71Å; F436-Y466 HydrophobicContact CZ-CD1 3.71Å; F436-Y466 AromaticContact CZ-CD2 3.61Å; F436-Y466 HydrophobicContact CZ-CD2 3.61Å; F436-Y466 HydrophobicContact CZ-CE1 4.27Å; F436-Y466 HydrophobicContact CZ-CE2 4.18Å; F436-Y466 AromaticContact CZ-CG 3.33Å; F436-Y466 HydrophobicContact CZ-CG 3.33Å; S462-Y466 PolarHBondContact O-N 3.44Å; L463-Y466 HydrophobicContact CD1-CD1 3.97Å; L463-Y466 WeakPolarHBondContact O-CB 3.33Å; L463-Y466 PolarHBondContact O-N 2.82Å; W464-Y466 VanDerWaalsContact C-N 3.31Å; W464-Y466 PolarHBondContact O-N 3.44Å; Y466-A468 VanDerWaalsContact C-N 3.3Å; Y466-A468 PolarHBondContact O-N 3.29Å; Y466-R469 PolarHBondContact O-N 3.21Å; Y466-K470 HydrophobicContact CD1-CD 4.36Å; Y466-K470 HydrophobicContact CE1-CD 3.68Å; Y466-K470 HydrophobicContact CE2-CD 4.44Å; Y466-K470 VanDerWaalsContact CZ-CE 3.5Å; Y466-K470 WeakPolarHBondContact OH-CE 3.44Å; Y466-K470 PolarHBondContact OH-NZ 3.01Å |
| 467 | M | 94.6 | Very high | 92 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -30.8 | -178.3 | -68.9 | -177.7 | 79.9 | 0 | 0 | 112.5 | Y423 T426 L427 L463 W464 R469 K470 K471 L474 | Y423-M467 HydrophobicContact CD1-CE 4.21Å; Y423-M467 HydrophobicContact CD2-CE 3.35Å; Y423-M467 HydrophobicContact CE1-CE 4.12Å; Y423-M467 HydrophobicContact CE2-CE 3.25Å; Y423-M467 HydrophobicContact CE2-SD 4.31Å; Y423-M467 HydrophobicContact CG-CE 3.81Å; T426-M467 HydrophobicContact CG2-CE 3.91Å; T426-M467 HydrophobicContact CG2-CG 4.22Å; T426-M467 HydrophobicContact CG2-SD 4.32Å; L427-M467 HydrophobicContact CD2-CE 4.5Å; L427-M467 HydrophobicContact CD2-SD 4.04Å; L427-M467 HydrophobicContact CG-CE 4.21Å; L427-M467 HydrophobicContact CG-SD 4.38Å; L463-M467 HydrophobicContact CD1-CG 3.79Å; L463-M467 HydrophobicContact CD1-SD 3.98Å; L463-M467 HydrophobicContact CD2-SD 4.02Å; L463-M467 HydrophobicContact CG-CG 4.02Å; L463-M467 HydrophobicContact CG-SD 3.73Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 2.89Å; W464-M467 HydrophobicContact CE3-SD 4.28Å; W464-M467 HydrophobicContact CZ3-SD 4.15Å; W464-M467 PolarHBondContact O-N 3.39Å; M467-R469 PolarHBondContact O-N 3.45Å; M467-K470 CarbonylContact O-C 3.56Å; M467-K470 WeakPolarHBondContact O-CA 3.09Å; M467-K470 WeakPolarHBondContact O-CB 3.27Å; M467-K470 PolarHBondContact O-N 3.36Å; M467-K471 PolarHBondContact O-N 3.28Å; M467-L474 HydrophobicContact CB-CD1 4.03Å; M467-L474 HydrophobicContact CE-CD1 3.63Å; M467-L474 HydrophobicContact CG-CD1 4.24Å |
| 468 | A | 93 | Very high | 92.2 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.3 | -32.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | W464 Y466 K470 K471 | W464-A468 WeakPolarHBondContact O-CB 3.34Å; W464-A468 PolarHBondContact O-N 2.92Å; Y466-A468 VanDerWaalsContact C-N 3.3Å; Y466-A468 PolarHBondContact O-N 3.29Å; A468-K470 PolarHBondContact O-N 3.37Å; A468-K471 WeakPolarHBondContact O-CB 3.21Å; A468-K471 PolarHBondContact O-N 3.12Å |
| 469 | R | 88.4 | Confident | 92.6 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 44% | 0.442 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.1 | -21.2 | 176.2 | -55.8 | -55.1 | 177.5 | -174.6 | -3.8 | 113 | D119 D124 Y466 M467 K648 | D119-R469 PolarHBondContact O-NE 3.09Å; D119-R469 PolarHBondContact O-NH2 3.2Å; D119-R469 VanDerWaalsContact O-NH2 3.13Å; D124-R469 IonicContact OD1-NH2 3.09Å; D124-R469 IonicContact OD2-CZ 2.79Å; D124-R469 IonicContact OD2-NE 2.83Å; D124-R469 IonicContact OD2-NH2 2.61Å; D124-R469 PolarHBondContact OD2-NH2 3.23Å; Y466-R469 PolarHBondContact O-N 3.21Å; M467-R469 PolarHBondContact O-N 3.45Å; R469-K648 PolarHBondContact O-NZ 3.31Å |
| 470 | K | 88.3 | Confident | 92.5 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 26% | 0.261 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 14.9 | 179.6 | -72.1 | 174.1 | 151.5 | -125.5 | 0 | 113.6 | Y466 M467 A468 E472 E473 L474 | Y466-K470 HydrophobicContact CD1-CD 4.36Å; Y466-K470 HydrophobicContact CE1-CD 3.68Å; Y466-K470 HydrophobicContact CE2-CD 4.44Å; Y466-K470 VanDerWaalsContact CZ-CE 3.5Å; Y466-K470 WeakPolarHBondContact OH-CE 3.44Å; Y466-K470 PolarHBondContact OH-NZ 3.01Å; M467-K470 CarbonylContact O-C 3.56Å; M467-K470 WeakPolarHBondContact O-CA 3.09Å; M467-K470 WeakPolarHBondContact O-CB 3.27Å; M467-K470 PolarHBondContact O-N 3.36Å; A468-K470 PolarHBondContact O-N 3.37Å; K470-E472 VanDerWaalsContact C-N 3.27Å; K470-E472 PolarHBondContact O-N 3.22Å; K470-E472 VanDerWaalsContact O-N 3.07Å; K470-E473 HydrophobicContact CB-CG 3.76Å; K470-E473 WeakPolarHBondContact CB-OE1 3.47Å; K470-E473 WeakPolarHBondContact CD-OE1 3.17Å; K470-E473 VanDerWaalsContact CE-OE1 3.28Å; K470-E473 WeakPolarHBondContact CE-OE1 3.37Å; K470-E473 HydrophobicContact CG-CG 4.31Å; K470-E473 WeakPolarHBondContact CG-OE1 3.03Å; K470-E473 IonicContact NZ-OE1 3.2Å; K470-E473 PolarHBondContact NZ-OE1 2.79Å; K470-E473 WeakPolarHBondContact O-CG 3.46Å; K470-E473 PolarHBondContact O-N 3.45Å; K470-L474 HydrophobicContact CB-CD1 3.92Å; K470-L474 HydrophobicContact CB-CG 4.06Å; K470-L474 WeakPolarHBondContact O-CG 3.2Å; K470-L474 PolarHBondContact O-N 3.08Å |
| 471 | K | 87.9 | Confident | 92.4 | Very high | 105 Ų | 105 | 42 Ų | 42 | 46% | 0.457 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -47.3 | -44 | -175.9 | -172.5 | 177.4 | -178.7 | 178.8 | 0 | 114.4 | M467 A468 E473 L474 R475 | M467-K471 PolarHBondContact O-N 3.28Å; A468-K471 WeakPolarHBondContact O-CB 3.21Å; A468-K471 PolarHBondContact O-N 3.12Å; K471-E473 PolarHBondContact O-N 3.14Å; K471-L474 PolarHBondContact O-N 3.27Å; K471-R475 VanDerWaalsContact O-CB 3.3Å; K471-R475 WeakPolarHBondContact O-CB 3.08Å; K471-R475 PolarHBondContact O-N 3.41Å |
| 472 | E | 83.1 | Confident | 92.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -30.3 | -176.8 | -57.2 | -60 | 128.8 | 0 | 0 | 113.7 | K470 R660 | K470-E472 VanDerWaalsContact C-N 3.27Å; K470-E472 PolarHBondContact O-N 3.22Å; K470-E472 VanDerWaalsContact O-N 3.07Å; E472-R660 VanDerWaalsContact CD-NH1 3.31Å; E472-R660 IonicContact OE1-CZ 2.65Å; E472-R660 IonicContact OE1-NH1 3.55Å; E472-R660 PolarHBondContact OE1-NH1 2.89Å; E472-R660 IonicContact OE2-CZ 3.56Å; E472-R660 IonicContact OE2-NH1 3.51Å; E472-R660 PolarHBondContact OE2-NH1 3.26Å; E472-R660 VanDerWaalsContact OE2-NH1 3.12Å; E472-R660 IonicContact OE2-NH2 2.69Å; E472-R660 PolarHBondContact OE2-NH2 3.43Å; E472-R660 VanDerWaalsContact OE2-NH2 3.13Å |
| 473 | E | 86.8 | Confident | 92.1 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -85.2 | -21 | 178.2 | 64.2 | 173.5 | -147.5 | 0 | 0 | 112.9 | N420 R422 K470 K471 Y629 H631 | N420-E473 PolarHBondContact ND2-O 3.49Å; R422-E473 PolarHBondContact NH1-O 3.1Å; K470-E473 HydrophobicContact CB-CG 3.76Å; K470-E473 WeakPolarHBondContact CB-OE1 3.47Å; K470-E473 WeakPolarHBondContact CD-OE1 3.17Å; K470-E473 VanDerWaalsContact CE-OE1 3.28Å; K470-E473 WeakPolarHBondContact CE-OE1 3.37Å; K470-E473 HydrophobicContact CG-CG 4.31Å; K470-E473 WeakPolarHBondContact CG-OE1 3.03Å; K470-E473 IonicContact NZ-OE1 3.2Å; K470-E473 PolarHBondContact NZ-OE1 2.79Å; K470-E473 WeakPolarHBondContact O-CG 3.46Å; K470-E473 PolarHBondContact O-N 3.45Å; K471-E473 PolarHBondContact O-N 3.14Å; E473-Y629 HydrophobicContact CB-CD1 3.8Å; E473-Y629 HydrophobicContact CB-CE1 3.54Å; E473-Y629 HydrophobicContact CB-CG 4.42Å; E473-H631 IonicContact OE2-CE1 2.95Å; E473-H631 IonicContact OE2-NE2 3.14Å |
| 474 | L | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -101.7 | -13.2 | -175.6 | -56.1 | -174.6 | 0 | 0 | 0 | 113.6 | F419 N420 R422 Y423 M467 K470 K471 | F419-L474 WeakPolarHBondContact CA-O 3.37Å; N420-L474 PolarHBondContact N-O 3.03Å; N420-L474 VanDerWaalsContact ND2-C 3.28Å; N420-L474 PolarHBondContact ND2-O 2.93Å; N420-L474 PolarHBondContact OD1-O 3.03Å; R422-L474 HydrophobicContact CB-CD2 4.23Å; R422-L474 HydrophobicContact CG-CD2 3.68Å; Y423-L474 HydrophobicContact CD2-CB 3.94Å; Y423-L474 HydrophobicContact CD2-CD1 3.96Å; M467-L474 HydrophobicContact CB-CD1 4.03Å; M467-L474 HydrophobicContact CE-CD1 3.63Å; M467-L474 HydrophobicContact CG-CD1 4.24Å; K470-L474 HydrophobicContact CB-CD1 3.92Å; K470-L474 HydrophobicContact CB-CG 4.06Å; K470-L474 WeakPolarHBondContact O-CG 3.2Å; K470-L474 PolarHBondContact O-N 3.08Å; K471-L474 PolarHBondContact O-N 3.27Å |
| 475 | R | 94.5 | Very high | 92.1 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 138.2 | 175.1 | -169.1 | -176 | -174 | 83.4 | 2.6 | 110.4 | E418 N420 K471 P477 | E418-R475 HydrophobicContact CG-CG 4.41Å; E418-R475 CarbonylContact O-C 3.07Å; E418-R475 WeakPolarHBondContact O-CA 3.26Å; E418-R475 WeakPolarHBondContact O-CG 3.38Å; E418-R475 IonicContact OE1-CZ 2.86Å; E418-R475 IonicContact OE1-NH1 2.83Å; E418-R475 PolarHBondContact OE1-NH1 3.47Å; E418-R475 IonicContact OE1-NH2 2.62Å; N420-R475 PolarHBondContact ND2-O 2.84Å; K471-R475 VanDerWaalsContact O-CB 3.3Å; K471-R475 WeakPolarHBondContact O-CB 3.08Å; K471-R475 PolarHBondContact O-N 3.41Å; R475-P477 WeakPolarHBondContact O-CD 3.39Å |
| 476 | N | 95 | Very high | 92.1 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | trans | -73.6 | 117.2 | 168.7 | -179.7 | 4.9 | 0 | 0 | 0 | 110.1 | P414 F417 E418 N420 L478 F479 | P414-N476 PolarHBondContact O-ND2 2.84Å; F417-N476 WeakPolarHBondContact O-CB 3.04Å; F417-N476 PolarHBondContact O-ND2 3.44Å; E418-N476 PolarHBondContact O-N 2.93Å; N420-N476 HydrophobicContact CB-CB 4.17Å; N476-L478 PolarHBondContact O-N 3.25Å; N476-L478 WeakPolarHBondContact OD1-CB 3.35Å; N476-L478 PolarHBondContact OD1-N 3.15Å; N476-F479 HydrophobicContact CB-CB 4.17Å; N476-F479 WeakPolarHBondContact O-CB 3.35Å; N476-F479 PolarHBondContact O-N 3.48Å | ||
| 477 | P | 92.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 16% | 0.156 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.2 | 179.9 | 28.8 | -36.5 | 0 | 0 | 0 | 113.6 | R475 V520 I521 K524 | R475-P477 WeakPolarHBondContact O-CD 3.39Å; P477-V520 HydrophobicContact CB-CG1 4.19Å; P477-V520 HydrophobicContact CG-CB 4.33Å; P477-V520 HydrophobicContact CG-CG1 3.57Å; P477-I521 HydrophobicContact CB-CG1 4.48Å; P477-I521 HydrophobicContact CG-CG1 3.81Å; P477-K524 HydrophobicContact CB-CB 3.65Å; P477-K524 HydrophobicContact CB-CG 3.73Å |
| 478 | L | 92.9 | Very high | 92.4 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.1 | 179.3 | -56.7 | -179.3 | 0 | 0 | 0 | 113.1 | P414 T415 N476 N480 V520 | P414-L478 HydrophobicContact CB-CD1 4.42Å; T415-L478 HydrophobicContact CG2-CB 4.26Å; N476-L478 PolarHBondContact O-N 3.25Å; N476-L478 WeakPolarHBondContact OD1-CB 3.35Å; N476-L478 PolarHBondContact OD1-N 3.15Å; L478-N480 PolarHBondContact O-N 3.18Å; L478-V520 HydrophobicContact CD2-CG1 4Å; L478-V520 HydrophobicContact CG-CG1 4.38Å |
| 479 | F | 95.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 67 Ų | 67 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | trans | -69.2 | 127.8 | -179.9 | 179.5 | -112.6 | 0 | 0 | 0 | 111.8 | F417 E418 N476 V484 | F417-F479 WeakPolarHBondContact O-CB 3.5Å; F417-F479 WeakPolarHBondContact O-CD2 3.46Å; E418-F479 VanDerWaalsContact CA-CG 3.44Å; E418-F479 HydrophobicContact CB-CD1 3.72Å; E418-F479 HydrophobicContact CB-CD2 4.24Å; E418-F479 HydrophobicContact CB-CE1 3.67Å; E418-F479 HydrophobicContact CB-CE2 4.18Å; E418-F479 HydrophobicContact CB-CG 4Å; E418-F479 HydrophobicContact CB-CZ 3.91Å; E418-F479 HydrophobicContact CG-CD1 3.75Å; E418-F479 HydrophobicContact CG-CE1 3.8Å; E418-F479 HydrophobicContact CG-CG 4.42Å; N476-F479 HydrophobicContact CB-CB 4.17Å; N476-F479 WeakPolarHBondContact O-CB 3.35Å; N476-F479 PolarHBondContact O-N 3.48Å; F479-V484 HydrophobicContact CD2-CG1 4.37Å; F479-V484 HydrophobicContact CE2-CG1 3.65Å; F479-V484 HydrophobicContact CZ-CG1 4.28Å | ||
| 480 | N | 90.4 | Very high | 93.2 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -127.4 | 105.4 | 173.6 | -177.1 | -8.4 | 0 | 0 | 0 | 110.3 | L478 N482 N483 V484 | L478-N480 PolarHBondContact O-N 3.18Å; N480-N482 PolarHBondContact O-N 3.26Å; N480-N482 VanDerWaalsContact O-N 3.08Å; N480-N482 WeakPolarHBondContact OD1-CB 3.14Å; N480-N482 PolarHBondContact OD1-N 3.11Å; N480-N483 HydrophobicContact CB-CB 4.46Å; N480-N483 CarbonylContact O-C 3.56Å; N480-N483 PolarHBondContact O-N 3.33Å; N480-V484 WeakPolarHBondContact O-CG1 3.43Å | ||
| 481 | S | 91.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 53% | 0.531 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -58.4 | -24 | -178.9 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | N483 | S481-N483 VanDerWaalsContact C-N 3.32Š|
| 482 | N | 92.3 | Very high | 94.2 | Very high | 150 Ų | 150 | 58 Ų | 58 | 80% | 0.802 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -83.7 | -11 | -179.2 | -61.1 | -22.7 | 0 | 0 | 0 | 112.8 | N480 | N480-N482 PolarHBondContact O-N 3.26Å; N480-N482 VanDerWaalsContact O-N 3.08Å; N480-N482 WeakPolarHBondContact OD1-CB 3.14Å; N480-N482 PolarHBondContact OD1-N 3.11Å |
| 483 | N | 92.2 | Very high | 94.9 | Very high | 120 Ų | 120 | 61.9 Ų | 61.9 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -134.9 | 46.6 | -173.6 | -164.7 | 27.4 | 0 | 0 | 0 | 111.3 | N480 S481 | N480-N483 HydrophobicContact CB-CB 4.46Å; N480-N483 CarbonylContact O-C 3.56Å; N480-N483 PolarHBondContact O-N 3.33Å; S481-N483 VanDerWaalsContact C-N 3.32Å |
| 484 | V | 95.2 | Very high | 95.3 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | trans | -99.6 | 137.9 | 173 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | P357 E416 F479 N480 | P357-V484 HydrophobicContact CB-CG2 4.03Å; E416-V484 WeakPolarHBondContact OE2-CA 3.2Å; E416-V484 WeakPolarHBondContact OE2-CB 3.45Å; F479-V484 HydrophobicContact CD2-CG1 4.37Å; F479-V484 HydrophobicContact CE2-CG1 3.65Å; F479-V484 HydrophobicContact CZ-CG1 4.28Å; N480-V484 WeakPolarHBondContact O-CG1 3.43Å | ||
| 485 | S | 96.2 | Very high | 95.4 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | trans | -69.2 | 138.9 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | P357 R360 E416 L487 | P357-S485 WeakPolarHBondContact CG-O 3.21Å; R360-S485 PolarHBondContact NH1-O 2.84Å; E416-S485 VanDerWaalsContact CD-N 3.28Å; E416-S485 WeakPolarHBondContact OE1-CB 3.18Å; E416-S485 PolarHBondContact OE1-N 3.29Å; E416-S485 PolarHBondContact OE1-OG 3.04Å; E416-S485 PolarHBondContact OE2-N 3.36Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.17Å | ||
| 486 | Q | 95.1 | Very high | 95.5 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -66.2 | -36.9 | 178.3 | -70.9 | -66.3 | -57 | 0 | 0 | 112.9 | ||
| 487 | L | 97.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 71.1 Ų | 71.1 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -128.2 | 142.9 | 179.3 | -67.3 | 174.8 | 0 | 0 | 0 | 108.7 | Y194 L354 L355 S485 | Y194-L487 HydrophobicContact CE2-CD2 4.35Å; Y194-L487 WeakPolarHBondContact OH-CD2 3.25Å; L354-L487 WeakPolarHBondContact O-CA 3.46Å; L355-L487 HydrophobicContact CD2-CD2 3.94Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.17Å |
| 488 | L | 98.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | trans | -108.3 | 140.4 | 167.8 | -62.1 | 177.9 | 0 | 0 | 0 | 110.3 | L354 R360 F413 E416 F417 | L354-L488 HydrophobicContact CD2-CB 3.76Å; L354-L488 PolarHBondContact O-N 3.2Å; R360-L488 VanDerWaalsContact CZ-CD1 3.47Å; R360-L488 VanDerWaalsContact NE-CD1 3.31Å; F413-L488 HydrophobicContact CB-CD1 4.45Å; F413-L488 HydrophobicContact CD1-CD2 3.8Å; F413-L488 HydrophobicContact CD2-CB 4.49Å; F413-L488 HydrophobicContact CD2-CD1 3.84Å; F413-L488 HydrophobicContact CD2-CD2 4.33Å; F413-L488 HydrophobicContact CD2-CG 4.42Å; F413-L488 HydrophobicContact CE1-CD2 3.99Å; F413-L488 HydrophobicContact CE2-CB 4.11Å; F413-L488 HydrophobicContact CE2-CD1 4.28Å; F413-L488 HydrophobicContact CG-CD1 4.09Å; F413-L488 HydrophobicContact CG-CD2 3.99Å; F413-L488 HydrophobicContact CZ-CB 4.2Å; F413-L488 HydrophobicContact CZ-CD2 4.36Å; E416-L488 HydrophobicContact CB-CD1 4.36Å; E416-L488 HydrophobicContact CB-CD2 4.48Å; E416-L488 HydrophobicContact CG-CD2 3.87Å; F417-L488 HydrophobicContact CE2-CD1 4.11Å; F417-L488 HydrophobicContact CZ-CD1 4.14Å | ||
| 489 | K | 98.3 | Very high | 95.9 | Very high | 146 Ų | 146 | 69.7 Ų | 69.7 | 64% | 0.635 | 36% | 0.364 | S | S | * | . | trans | -122.2 | 96.5 | 173.3 | -68.1 | -169.1 | 176.9 | -163.2 | 0 | 108 | ||||
| 490 | P | 98.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.071 | 36% | 0.358 | C | S | . | . | trans | -64.9 | 146.8 | -177.3 | 27.5 | -33.4 | 0 | 0 | 0 | 111 | L354 L409 F413 L492 | L354-P490 HydrophobicContact CD1-CG 4.23Å; L354-P490 HydrophobicContact CD2-CG 4.25Å; L409-P490 HydrophobicContact CD2-CB 3.7Å; L409-P490 HydrophobicContact CD2-CG 4.26Å; F413-P490 HydrophobicContact CE2-CB 4.42Å; P490-L492 HydrophobicContact CB-CD2 4.36Å; P490-L492 HydrophobicContact CG-CD2 4.19Å; P490-L492 PolarHBondContact O-N 3.39Å | ||
| 491 | D | 98.5 | Very high | 95.8 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | trans | -83 | 112.1 | 171.2 | -170.2 | -17.7 | 0 | 0 | 0 | 109.6 | Q412 R493 Q496 | Q412-D491 PolarHBondContact NE2-O 3.24Å; D491-R493 VanDerWaalsContact OD1-CB 3.27Å; D491-R493 WeakPolarHBondContact OD1-CB 3.39Å; D491-R493 WeakPolarHBondContact OD1-CG 3.5Å; D491-R493 PolarHBondContact OD1-N 2.99Å; D491-R493 IonicContact OD1-NE 2.61Å; D491-R493 PolarHBondContact OD1-NE 3.32Å; D491-R493 IonicContact OD2-CZ 3.46Å; D491-R493 IonicContact OD2-NE 3.54Å; D491-R493 PolarHBondContact OD2-NE 3.15Å; D491-R493 IonicContact OD2-NH2 2.85Å; D491-R493 PolarHBondContact OD2-NH2 3.4Å; D491-Q496 HydrophobicContact CB-CB 4.38Å; D491-Q496 HydrophobicContact CB-CG 4.01Å | ||
| 492 | L | 98.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | trans | -94.4 | 9.5 | -175.4 | -57.2 | 175.8 | 0 | 0 | 0 | 113.1 | R314 L317 E318 P490 | R314-L492 PolarHBondContact NE-O 3.44Å; L317-L492 HydrophobicContact CB-CD2 3.59Å; E318-L492 HydrophobicContact CB-CD1 4.01Å; E318-L492 HydrophobicContact CG-CD1 4.26Å; P490-L492 HydrophobicContact CB-CD2 4.36Å; P490-L492 HydrophobicContact CG-CD2 4.19Å; P490-L492 PolarHBondContact O-N 3.39Å | ||
| 493 | R | 98.3 | Very high | 95.4 | Very high | 133 Ų | 133 | 63.6 Ų | 63.6 | 50% | 0.502 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -61.4 | 136.1 | 172.9 | -70 | 179.6 | -64.2 | 170.5 | 2.3 | 109.3 | D491 Q495 Q496 | D491-R493 VanDerWaalsContact OD1-CB 3.27Å; D491-R493 WeakPolarHBondContact OD1-CB 3.39Å; D491-R493 WeakPolarHBondContact OD1-CG 3.5Å; D491-R493 PolarHBondContact OD1-N 2.99Å; D491-R493 IonicContact OD1-NE 2.61Å; D491-R493 PolarHBondContact OD1-NE 3.32Å; D491-R493 IonicContact OD2-CZ 3.46Å; D491-R493 IonicContact OD2-NE 3.54Å; D491-R493 PolarHBondContact OD2-NE 3.15Å; D491-R493 IonicContact OD2-NH2 2.85Å; D491-R493 PolarHBondContact OD2-NH2 3.4Å; R493-Q495 PolarHBondContact O-N 2.79Å; R493-Q496 HydrophobicContact CB-CG 4.19Å; R493-Q496 WeakPolarHBondContact O-CB 3.38Å; R493-Q496 PolarHBondContact O-N 3.01Å |
| 494 | P | 95.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -53.5 | -35.2 | -172 | -29.4 | 35.9 | 0 | 0 | 0 | 115.2 | Q496 I497 | P494-Q496 PolarHBondContact O-N 2.97Å; P494-I497 PolarHBondContact O-N 3.09Å |
| 495 | Q | 95.1 | Very high | 94.8 | Very high | 122 Ų | 122 | 57.1 Ų | 57.1 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -69.8 | -12.4 | 178.5 | 67.8 | -88.4 | 30 | 0 | 0 | 114.6 | R493 | R493-Q495 PolarHBondContact O-N 2.79Š|
| 496 | Q | 96.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -90.8 | -6.9 | 175.7 | -57.5 | -60.9 | -23.2 | 0 | 0 | 112.6 | Q412 D491 R493 P494 | Q412-Q496 PolarHBondContact NE2-O 2.96Å; D491-Q496 HydrophobicContact CB-CB 4.38Å; D491-Q496 HydrophobicContact CB-CG 4.01Å; R493-Q496 HydrophobicContact CB-CG 4.19Å; R493-Q496 WeakPolarHBondContact O-CB 3.38Å; R493-Q496 PolarHBondContact O-N 3.01Å; P494-Q496 PolarHBondContact O-N 2.97Å |
| 497 | I | 98 | Very high | 92.8 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -101 | 108.1 | 177.1 | -50.2 | -57.3 | 0 | 0 | 0 | 107.7 | L310 I313 R314 L317 P494 | L310-I497 HydrophobicContact CB-CG2 4.15Å; L310-I497 HydrophobicContact CD2-CG2 4.39Å; I313-I497 HydrophobicContact CB-CG2 4.35Å; I313-I497 HydrophobicContact CG2-CG2 4.22Å; R314-I497 HydrophobicContact CB-CG1 4.11Å; R314-I497 HydrophobicContact CG-CG1 4.18Å; L317-I497 HydrophobicContact CD1-CD1 3.88Å; P494-I497 PolarHBondContact O-N 3.09Å |
| 498 | T | 95.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | trans | -116 | 158.1 | -166.8 | 65.4 | 0 | 0 | 0 | 0 | 112 | L310 W407 Q408 W500 | L310-T498 WeakPolarHBondContact CD2-O 3.37Å; W407-T498 WeakPolarHBondContact CH2-OG1 3.23Å; W407-T498 WeakPolarHBondContact CZ3-OG1 3.45Å; Q408-T498 PolarHBondContact NE2-O 3.24Å; T498-W500 PolarHBondContact O-N 3.18Å | ||
| 499 | L | 95.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -71.1 | 124.7 | 174.8 | 175 | 66.2 | 0 | 0 | 0 | 109.4 | M285 V289 F300 M304 R501 Y504 | M285-L499 HydrophobicContact CE-CD1 4.42Å; M285-L499 HydrophobicContact SD-CD1 3.65Å; V289-L499 HydrophobicContact CG2-CD1 4.36Å; V289-L499 HydrophobicContact CG2-CD2 3.77Å; F300-L499 HydrophobicContact CZ-CD2 4.44Å; M304-L499 HydrophobicContact CE-CB 4.39Å; M304-L499 HydrophobicContact CE-CD1 4.06Å; M304-L499 HydrophobicContact CE-CD2 4.43Å; L499-R501 VanDerWaalsContact C-N 3.26Å; L499-R501 HydrophobicContact CD2-CG 4.3Å; L499-R501 HydrophobicContact CG-CG 4.3Å; L499-R501 PolarHBondContact O-N 2.79Å; L499-Y504 HydrophobicContact CD1-CD2 3.61Å; L499-Y504 HydrophobicContact CD1-CE2 4.26Å; L499-Y504 HydrophobicContact CD1-CG 4.41Å | ||
| 500 | W | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -72.6 | 77 | 174.4 | -170.9 | 7.1 | 0 | 0 | 0 | 112 | L403 D404 W407 E421 L424 I425 T498 S502 L503 Y504 | L403-W500 HydrophobicContact CB-CH2 4.41Å; L403-W500 HydrophobicContact CB-CZ3 4.14Å; D404-W500 HydrophobicContact CB-CE3 3.84Å; D404-W500 HydrophobicContact CB-CZ3 4.2Å; W407-W500 HydrophobicContact CB-CD2 3.92Å; W407-W500 HydrophobicContact CB-CE3 3.9Å; W407-W500 HydrophobicContact CB-CH2 3.9Å; W407-W500 HydrophobicContact CB-CZ2 3.87Å; W407-W500 HydrophobicContact CB-CZ3 3.91Å; W407-W500 AromaticContact CD1-CD1 3.94Å; W407-W500 AromaticContact CD1-CE2 3.45Å; W407-W500 VanDerWaalsContact CD1-CE2 3.45Å; W407-W500 AromaticContact CD1-CZ2 3.7Å; W407-W500 AromaticContact CD1-NE1 3.39Å; W407-W500 HydrophobicContact CD2-CB 3.99Å; W407-W500 AromaticContact CD2-CD1 3.56Å; W407-W500 AromaticContact CD2-CD2 3.78Å; W407-W500 HydrophobicContact CD2-CD2 3.78Å; W407-W500 AromaticContact CD2-CE2 3.93Å; W407-W500 HydrophobicContact CD2-CE3 4.48Å; W407-W500 AromaticContact CD2-CG 3.54Å; W407-W500 HydrophobicContact CD2-CG 3.54Å; W407-W500 AromaticContact CD2-NE1 3.81Å; W407-W500 AromaticContact CE2-CD1 3.3Å; W407-W500 AromaticContact CE2-CG 3.79Å; W407-W500 AromaticContact CE2-NE1 3.57Å; W407-W500 HydrophobicContact CE3-CB 3.66Å; W407-W500 HydrophobicContact CE3-CD2 4.22Å; W407-W500 AromaticContact CE3-CG 3.77Å; W407-W500 HydrophobicContact CE3-CG 3.77Å; W407-W500 AromaticContact CG-CD1 3.95Å; W407-W500 AromaticContact CG-CD2 3.63Å; W407-W500 HydrophobicContact CG-CD2 3.63Å; W407-W500 AromaticContact CG-CE2 3.45Å; W407-W500 VanDerWaalsContact CG-CE2 3.45Å; W407-W500 HydrophobicContact CG-CE3 4.14Å; W407-W500 AromaticContact CG-CG 3.94Å; W407-W500 HydrophobicContact CG-CG 3.94Å; W407-W500 HydrophobicContact CG-CH2 4.33Å; W407-W500 AromaticContact CG-CZ2 3.81Å; W407-W500 HydrophobicContact CG-CZ2 3.81Å; W407-W500 HydrophobicContact CG-CZ3 4.47Å; W407-W500 AromaticContact CG-NE1 3.69Å; W407-W500 HydrophobicContact CH2-CB 4.16Å; W407-W500 HydrophobicContact CH2-CG 4.41Å; W407-W500 HydrophobicContact CZ2-CB 4.43Å; W407-W500 AromaticContact CZ2-CD1 3.67Å; W407-W500 HydrophobicContact CZ2-CG 4.21Å; W407-W500 HydrophobicContact CZ3-CB 3.77Å; W407-W500 HydrophobicContact CZ3-CG 4.2Å; W407-W500 AromaticContact NE1-CD1 3.55Å; W407-W500 AromaticContact NE1-CE2 3.86Å; W407-W500 AromaticContact NE1-NE1 3.29Å; E421-W500 HydrophobicContact CG-CZ2 4.03Å; E421-W500 PolarHBondContact OE1-NE1 2.94Å; L424-W500 HydrophobicContact CB-CH2 3.64Å; L424-W500 HydrophobicContact CB-CZ2 4.02Å; L424-W500 HydrophobicContact CD1-CH2 4.31Å; I425-W500 HydrophobicContact CD1-CZ2 4.26Å; I425-W500 HydrophobicContact CG1-CH2 4.27Å; I425-W500 HydrophobicContact CG1-CZ2 3.54Å; T498-W500 PolarHBondContact O-N 3.18Å; W500-S502 PolarHBondContact O-N 3.1Å; W500-L503 HydrophobicContact CB-CB 4.42Å; W500-L503 HydrophobicContact CD2-CB 3.49Å; W500-L503 VanDerWaalsContact CD2-CB 3.49Å; W500-L503 HydrophobicContact CD2-CD2 3.87Å; W500-L503 HydrophobicContact CD2-CG 4.31Å; W500-L503 HydrophobicContact CE3-CB 3.9Å; W500-L503 HydrophobicContact CE3-CD2 3.31Å; W500-L503 HydrophobicContact CE3-CG 4.22Å; W500-L503 HydrophobicContact CG-CB 3.7Å; W500-L503 HydrophobicContact CH2-CD2 4.16Å; W500-L503 HydrophobicContact CZ2-CB 4.35Å; W500-L503 HydrophobicContact CZ3-CB 4.45Å; W500-L503 HydrophobicContact CZ3-CD2 3.46Å; W500-L503 VanDerWaalsContact CZ3-CD2 3.46Å; W500-L503 HydrophobicContact CZ3-CG 4.49Å; W500-L503 PolarHBondContact O-N 3.21Å; W500-L503 VanDerWaalsContact O-N 3.17Å; W500-Y504 HydrophobicContact CB-CD2 4.02Å; W500-Y504 HydrophobicContact CB-CE2 3.88Å; W500-Y504 WeakPolarHBondContact O-CD2 3.17Å; W500-Y504 PolarHBondContact O-N 3.29Å | ||
| 501 | R | 88.6 | Confident | 85.9 | Confident | 166 Ų | 166 | 56.3 Ų | 56.3 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | -173.3 | -64.2 | 179.9 | -173.1 | 178.4 | 1.2 | 112.5 | L499 L503 Y504 N505 | L499-R501 VanDerWaalsContact C-N 3.26Å; L499-R501 HydrophobicContact CD2-CG 4.3Å; L499-R501 HydrophobicContact CG-CG 4.3Å; L499-R501 PolarHBondContact O-N 2.79Å; R501-L503 PolarHBondContact O-N 2.79Å; R501-L503 VanDerWaalsContact O-N 3.15Å; R501-Y504 PolarHBondContact O-N 3.31Å; R501-N505 WeakPolarHBondContact O-CA 3.13Å; R501-N505 VanDerWaalsContact O-CB 3.25Å; R501-N505 WeakPolarHBondContact O-CB 3.23Å; R501-N505 PolarHBondContact O-N 3.46Å |
| 502 | S | 86.3 | Confident | 84.1 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -28.5 | -179 | -47.3 | 0 | 0 | 0 | 0 | 113.2 | E421 W500 R506 | E421-S502 WeakPolarHBondContact OE1-CB 3.5Å; E421-S502 PolarHBondContact OE1-OG 2.98Å; E421-S502 PolarHBondContact OE2-OG 2.72Å; W500-S502 PolarHBondContact O-N 3.1Å; S502-R506 WeakPolarHBondContact O-CB 3.38Å |
| 503 | L | 90.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.9 | -50.4 | 174.6 | 179.3 | 64.4 | 0 | 0 | 0 | 112.1 | F76 T400 I425 Q428 W500 R501 R506 | F76-L503 HydrophobicContact CD2-CD1 4.1Å; F76-L503 HydrophobicContact CD2-CG 3.97Å; F76-L503 HydrophobicContact CE2-CD1 4.1Å; F76-L503 HydrophobicContact CE2-CD2 4.03Å; F76-L503 HydrophobicContact CE2-CG 3.85Å; T400-L503 HydrophobicContact CG2-CD2 4.24Å; I425-L503 HydrophobicContact CG1-CD1 4.46Å; Q428-L503 HydrophobicContact CB-CD1 4.28Å; Q428-L503 HydrophobicContact CG-CD1 3.96Å; Q428-L503 HydrophobicContact CG-CD2 4.46Å; W500-L503 HydrophobicContact CB-CB 4.42Å; W500-L503 HydrophobicContact CD2-CB 3.49Å; W500-L503 VanDerWaalsContact CD2-CB 3.49Å; W500-L503 HydrophobicContact CD2-CD2 3.87Å; W500-L503 HydrophobicContact CD2-CG 4.31Å; W500-L503 HydrophobicContact CE3-CB 3.9Å; W500-L503 HydrophobicContact CE3-CD2 3.31Å; W500-L503 HydrophobicContact CE3-CG 4.22Å; W500-L503 HydrophobicContact CG-CB 3.7Å; W500-L503 HydrophobicContact CH2-CD2 4.16Å; W500-L503 HydrophobicContact CZ2-CB 4.35Å; W500-L503 HydrophobicContact CZ3-CB 4.45Å; W500-L503 HydrophobicContact CZ3-CD2 3.46Å; W500-L503 VanDerWaalsContact CZ3-CD2 3.46Å; W500-L503 HydrophobicContact CZ3-CG 4.49Å; W500-L503 PolarHBondContact O-N 3.21Å; W500-L503 VanDerWaalsContact O-N 3.17Å; R501-L503 PolarHBondContact O-N 2.79Å; R501-L503 VanDerWaalsContact O-N 3.15Å; L503-R506 VanDerWaalsContact O-CB 3.26Å; L503-R506 WeakPolarHBondContact O-CB 3.36Å |
| 504 | Y | 91.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -85.4 | -25.3 | -170.4 | -61.1 | -58.8 | 0 | 0 | 0 | 114.4 | F76 L282 M285 L286 W290 W309 D404 L499 W500 R501 | F76-Y504 AromaticContact CD2-CD1 3.71Å; F76-Y504 HydrophobicContact CD2-CD1 3.71Å; F76-Y504 HydrophobicContact CD2-CE1 4.08Å; F76-Y504 HydrophobicContact CE1-CD1 4.48Å; F76-Y504 HydrophobicContact CE1-CE1 4.41Å; F76-Y504 AromaticContact CE2-CD1 3.6Å; F76-Y504 HydrophobicContact CE2-CD1 3.6Å; F76-Y504 AromaticContact CE2-CE1 3.47Å; F76-Y504 HydrophobicContact CE2-CE1 3.47Å; F76-Y504 VanDerWaalsContact CE2-CE1 3.47Å; F76-Y504 HydrophobicContact CG-CD1 4.19Å; F76-Y504 HydrophobicContact CZ-CD1 4.02Å; F76-Y504 AromaticContact CZ-CE1 3.67Å; F76-Y504 HydrophobicContact CZ-CE1 3.67Å; L282-Y504 HydrophobicContact CD1-CD1 4.45Å; L282-Y504 HydrophobicContact CD1-CE1 3.73Å; M285-Y504 HydrophobicContact CE-CD1 3.53Å; M285-Y504 HydrophobicContact CE-CD2 3.79Å; M285-Y504 HydrophobicContact CE-CE1 3.67Å; M285-Y504 HydrophobicContact CE-CE2 3.92Å; M285-Y504 HydrophobicContact CE-CG 3.6Å; M285-Y504 HydrophobicContact SD-CD2 4.49Å; M285-Y504 HydrophobicContact SD-CG 4.42Å; L286-Y504 HydrophobicContact CD2-CD1 3.87Å; W290-Y504 PolarHBondContact NE1-O 3.2Å; W309-Y504 VanDerWaalsContact CE2-OH 3.3Å; W309-Y504 WeakPolarHBondContact CZ2-OH 3.12Å; W309-Y504 AromaticContact NE1-CE2 3.85Å; W309-Y504 AromaticContact NE1-CZ 3.74Å; W309-Y504 PolarHBondContact NE1-OH 3.07Å; D404-Y504 WeakPolarHBondContact OD2-CE2 3.46Å; D404-Y504 PolarHBondContact OD2-OH 2.87Å; D404-Y504 VanDerWaalsContact OD2-OH 3.05Å; L499-Y504 HydrophobicContact CD1-CD2 3.61Å; L499-Y504 HydrophobicContact CD1-CE2 4.26Å; L499-Y504 HydrophobicContact CD1-CG 4.41Å; W500-Y504 HydrophobicContact CB-CD2 4.02Å; W500-Y504 HydrophobicContact CB-CE2 3.88Å; W500-Y504 WeakPolarHBondContact O-CD2 3.17Å; W500-Y504 PolarHBondContact O-N 3.29Å; R501-Y504 PolarHBondContact O-N 3.31Å |
| 505 | N | 83 | Confident | 78.8 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 16.1 | 171.5 | -64.5 | 90.3 | 0 | 0 | 0 | 111.7 | V289 R501 Y507 D508 C511 | V289-N505 VanDerWaalsContact CG1-ND2 3.29Å; V289-N505 WeakPolarHBondContact CG1-ND2 3.47Å; V289-N505 WeakPolarHBondContact CG1-OD1 3.3Å; R501-N505 WeakPolarHBondContact O-CA 3.13Å; R501-N505 VanDerWaalsContact O-CB 3.25Å; R501-N505 WeakPolarHBondContact O-CB 3.23Å; R501-N505 PolarHBondContact O-N 3.46Å; N505-Y507 PolarHBondContact O-N 3.44Å; N505-D508 HydrophobicContact CB-CB 4.21Å; N505-D508 WeakPolarHBondContact O-CB 3.36Å; N505-D508 PolarHBondContact O-N 3.13Å; N505-C511 HydrophobicContact CB-CB 4.26Å |
| 506 | R | 76 | Confident | 78.1 | Confident | 39 Ų | 39 | 60 Ų | 60 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -38.5 | -174.1 | -166.9 | 176.5 | -151.2 | -152.9 | -13.8 | 112.7 | I425 E429 S502 L503 R512 | I425-R506 VanDerWaalsContact CG2-NE 3.31Å; E429-R506 IonicContact OE2-CZ 3.24Å; E429-R506 IonicContact OE2-NH1 3.73Å; E429-R506 PolarHBondContact OE2-NH1 2.86Å; E429-R506 IonicContact OE2-NH2 3.82Å; E429-R506 PolarHBondContact OE2-NH2 3Å; S502-R506 WeakPolarHBondContact O-CB 3.38Å; L503-R506 VanDerWaalsContact O-CB 3.26Å; L503-R506 WeakPolarHBondContact O-CB 3.36Å; R506-R512 PolarHBondContact O-NE 3.17Å; R506-R512 PolarHBondContact O-NH2 3.46Å |
| 507 | Y | 73.9 | Confident | 77.5 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 3.6 | -179.3 | -62.5 | -90.7 | 0 | 0 | 0 | 114.2 | T75 F77 N505 I509 | T75-Y507 VanDerWaalsContact O-CE2 3.23Å; T75-Y507 WeakPolarHBondContact O-CE2 3.31Å; F77-Y507 VanDerWaalsContact CA-CD2 3.46Å; F77-Y507 HydrophobicContact CB-CD1 3.63Å; F77-Y507 HydrophobicContact CB-CD2 3.36Å; F77-Y507 HydrophobicContact CB-CE1 3.82Å; F77-Y507 HydrophobicContact CB-CE2 3.59Å; F77-Y507 HydrophobicContact CB-CG 3.37Å; F77-Y507 HydrophobicContact CD1-CE2 4.41Å; N505-Y507 PolarHBondContact O-N 3.44Å; Y507-I509 PolarHBondContact O-N 2.85Å |
| 508 | D | 70.7 | Confident | 76.8 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | trans | -81.6 | 98.9 | 172.8 | -174.6 | -8.8 | 0 | 0 | 0 | 109.9 | N505 S510 C511 | N505-D508 HydrophobicContact CB-CB 4.21Å; N505-D508 WeakPolarHBondContact O-CB 3.36Å; N505-D508 PolarHBondContact O-N 3.13Å; D508-S510 PolarHBondContact O-N 3.49Å; D508-S510 WeakPolarHBondContact OD1-CA 3.48Å; D508-S510 WeakPolarHBondContact OD1-CB 3.5Å; D508-S510 PolarHBondContact OD1-N 3.45Å; D508-S510 PolarHBondContact OD1-OG 3.2Å; D508-C511 HydrophobicContact CB-CB 4.09Å; D508-C511 PolarHBondContact O-N 3.43Å; D508-C511 VanDerWaalsContact O-N 3.16Å | ||
| 509 | I | 61.1 | Low | 76.3 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -55.2 | -33.1 | 177.9 | -65.1 | 172.8 | 0 | 0 | 0 | 111.3 | Y507 C511 P626 | Y507-I509 PolarHBondContact O-N 2.85Å; I509-C511 VanDerWaalsContact C-N 3.32Å; I509-C511 PolarHBondContact O-N 3.05Å; I509-P626 HydrophobicContact CG2-CG 4.27Å |
| 510 | S | 58.4 | Low | 76 | Confident | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -78.8 | -13.3 | -175.7 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | K293 D508 | K293-S510 WeakPolarHBondContact CE-OG 3.2Å; D508-S510 PolarHBondContact O-N 3.49Å; D508-S510 WeakPolarHBondContact OD1-CA 3.48Å; D508-S510 WeakPolarHBondContact OD1-CB 3.5Å; D508-S510 PolarHBondContact OD1-N 3.45Å; D508-S510 PolarHBondContact OD1-OG 3.2Å |
| 511 | C | 56.8 | Low | 75.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -104.1 | -1.6 | -178.6 | -166 | 0 | 0 | 0 | 0 | 113.4 | N505 D508 I509 E513 | N505-C511 HydrophobicContact CB-CB 4.26Å; D508-C511 HydrophobicContact CB-CB 4.09Å; D508-C511 PolarHBondContact O-N 3.43Å; D508-C511 VanDerWaalsContact O-N 3.16Å; I509-C511 VanDerWaalsContact C-N 3.32Å; I509-C511 PolarHBondContact O-N 3.05Å; C511-E513 PolarHBondContact O-N 2.9Å |
| 512 | R | 61.3 | Low | 75.8 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | trans | -86.3 | 97.6 | -177.2 | -62.9 | -150.4 | -156.8 | -175.5 | 7.1 | 111.7 | R506 P626 | R506-R512 PolarHBondContact O-NE 3.17Å; R506-R512 PolarHBondContact O-NH2 3.46Å; R512-P626 HydrophobicContact CB-CB 3.88Å; R512-P626 WeakPolarHBondContact CD-O 3.28Å; R512-P626 HydrophobicContact CG-CB 4.28Å; R512-P626 PolarHBondContact NE-O 3.33Å; R512-P626 PolarHBondContact NH1-O 3.1Å | ||
| 513 | E | 54.9 | Low | 76 | Confident | 166 Ų | 166 | 54.5 Ų | 54.5 | 78% | 0.776 | 28% | 0.276 | S | S | * | . | trans | -73.1 | 150.9 | 157 | -70.3 | 179.5 | 169.2 | 0 | 0 | 109.7 | C511 L515 | C511-E513 PolarHBondContact O-N 2.9Å; E513-L515 PolarHBondContact O-N 3.35Å | ||
| 514 | D | 57.1 | Low | 76.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -55.9 | 108.9 | 167.1 | -90.8 | -38.1 | 0 | 0 | 0 | 107.7 | L516 S610 K630 | D514-L516 PolarHBondContact O-N 3.39Å; D514-S610 WeakPolarHBondContact OD2-CA 3.2Å; D514-S610 WeakPolarHBondContact OD2-CB 3.36Å; D514-K630 IonicContact OD1-NZ 3.49Å | ||
| 515 | L | 67.9 | Low | 76.1 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -53.6 | 121.6 | -174.8 | -123 | 83.2 | 0 | 0 | 0 | 108.3 | E421 E513 L517 N518 | E421-L515 WeakPolarHBondContact OE2-CD2 3.29Å; E513-L515 PolarHBondContact O-N 3.35Å; L515-L517 HydrophobicContact CB-CB 4.28Å; L515-L517 HydrophobicContact CD2-CB 3.83Å; L515-L517 HydrophobicContact CD2-CD2 4.05Å; L515-L517 HydrophobicContact CG-CB 4.42Å; L515-L517 PolarHBondContact O-N 2.75Å; L515-N518 WeakPolarHBondContact O-CB 3.44Å; L515-N518 PolarHBondContact O-N 2.95Å | ||
| 516 | L | 81 | Confident | 76.6 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 72% | 0.717 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -42.7 | -37.8 | 169.9 | 174.5 | 62.2 | 0 | 0 | 0 | 111.1 | D514 N518 T519 V520 | D514-L516 PolarHBondContact O-N 3.39Å; L516-N518 PolarHBondContact O-N 2.73Å; L516-T519 WeakPolarHBondContact O-CB 3.25Å; L516-T519 PolarHBondContact O-N 2.95Å; L516-V520 HydrophobicContact CD1-CG2 4.08Å; L516-V520 HydrophobicContact CG-CG2 4.2Å; L516-V520 VanDerWaalsContact O-CG2 3.28Å; L516-V520 WeakPolarHBondContact O-CG2 3.5Å; L516-V520 PolarHBondContact O-N 3.35Å |
| 517 | L | 83.9 | Confident | 77.4 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.3 | -44.3 | 173.7 | -177 | 61.3 | 0 | 0 | 0 | 114 | N420 E421 L515 T519 V520 I521 | N420-L517 HydrophobicContact CB-CD1 4.16Å; N420-L517 HydrophobicContact CB-CD2 4.13Å; E421-L517 HydrophobicContact CB-CD2 4.43Å; L515-L517 HydrophobicContact CB-CB 4.28Å; L515-L517 HydrophobicContact CD2-CB 3.83Å; L515-L517 HydrophobicContact CD2-CD2 4.05Å; L515-L517 HydrophobicContact CG-CB 4.42Å; L515-L517 PolarHBondContact O-N 2.75Å; L517-T519 VanDerWaalsContact C-N 3.33Å; L517-T519 PolarHBondContact O-N 3.23Å; L517-V520 PolarHBondContact O-N 2.98Å; L517-I521 HydrophobicContact CD1-CD1 3.96Å; L517-I521 HydrophobicContact CD1-CG1 4.16Å; L517-I521 HydrophobicContact CG-CD1 3.82Å; L517-I521 HydrophobicContact CG-CG1 4.41Å; L517-I521 WeakPolarHBondContact O-CB 3.43Å; L517-I521 WeakPolarHBondContact O-CG1 3.41Å; L517-I521 PolarHBondContact O-N 2.9Å |
| 518 | N | 83.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.6 | -74.9 | -15.6 | 0 | 0 | 0 | 111.4 | R422 L515 L516 I521 A522 Y629 | R422-N518 PolarHBondContact NH2-OD1 3.18Å; L515-N518 WeakPolarHBondContact O-CB 3.44Å; L515-N518 PolarHBondContact O-N 2.95Å; L516-N518 PolarHBondContact O-N 2.73Å; N518-I521 PolarHBondContact O-N 3.3Å; N518-A522 WeakPolarHBondContact O-CB 3.46Å; N518-A522 PolarHBondContact O-N 3.14Å; N518-Y629 WeakPolarHBondContact OD1-CD2 3.35Å |
| 519 | T | 85.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | L516 L517 A522 F523 | L516-T519 WeakPolarHBondContact O-CB 3.25Å; L516-T519 PolarHBondContact O-N 2.95Å; L517-T519 VanDerWaalsContact C-N 3.33Å; L517-T519 PolarHBondContact O-N 3.23Å; T519-A522 PolarHBondContact O-N 3.24Å; T519-F523 HydrophobicContact CG2-CD2 3.83Å; T519-F523 HydrophobicContact CG2-CE2 3.35Å; T519-F523 HydrophobicContact CG2-CZ 3.93Å; T519-F523 WeakPolarHBondContact O-CD2 3.5Å; T519-F523 WeakPolarHBondContact O-CG 3.17Å; T519-F523 PolarHBondContact O-N 2.98Å |
| 520 | V | 89.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | P477 L478 L516 L517 F523 K524 | P477-V520 HydrophobicContact CB-CG1 4.19Å; P477-V520 HydrophobicContact CG-CB 4.33Å; P477-V520 HydrophobicContact CG-CG1 3.57Å; L478-V520 HydrophobicContact CD2-CG1 4Å; L478-V520 HydrophobicContact CG-CG1 4.38Å; L516-V520 HydrophobicContact CD1-CG2 4.08Å; L516-V520 HydrophobicContact CG-CG2 4.2Å; L516-V520 VanDerWaalsContact O-CG2 3.28Å; L516-V520 WeakPolarHBondContact O-CG2 3.5Å; L516-V520 PolarHBondContact O-N 3.35Å; L517-V520 PolarHBondContact O-N 2.98Å; V520-F523 PolarHBondContact O-N 2.98Å; V520-K524 WeakPolarHBondContact O-CB 3.36Å; V520-K524 PolarHBondContact O-N 2.77Å |
| 521 | I | 89.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 175 | -71.9 | 168.7 | 0 | 0 | 0 | 110.2 | P477 L517 N518 F523 K524 Q525 Y629 | P477-I521 HydrophobicContact CB-CG1 4.48Å; P477-I521 HydrophobicContact CG-CG1 3.81Å; L517-I521 HydrophobicContact CD1-CD1 3.96Å; L517-I521 HydrophobicContact CD1-CG1 4.16Å; L517-I521 HydrophobicContact CG-CD1 3.82Å; L517-I521 HydrophobicContact CG-CG1 4.41Å; L517-I521 WeakPolarHBondContact O-CB 3.43Å; L517-I521 WeakPolarHBondContact O-CG1 3.41Å; L517-I521 PolarHBondContact O-N 2.9Å; N518-I521 PolarHBondContact O-N 3.3Å; I521-F523 PolarHBondContact O-N 2.79Å; I521-K524 PolarHBondContact O-N 3.41Å; I521-Q525 HydrophobicContact CG2-CG 4.32Å; I521-Q525 VanDerWaalsContact CG2-NE2 3.3Å; I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.29Å; I521-Q525 WeakPolarHBondContact O-CG 3.23Å; I521-Q525 PolarHBondContact O-N 3.12Å; I521-Y629 HydrophobicContact CD1-CE2 4.49Å; I521-Y629 HydrophobicContact CG2-CE2 4.13Å; I521-Y629 WeakPolarHBondContact CG2-OH 3.33Å |
| 522 | A | 89.6 | Confident | 84 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | N518 T519 Q525 Q526 V609 | N518-A522 WeakPolarHBondContact O-CB 3.46Å; N518-A522 PolarHBondContact O-N 3.14Å; T519-A522 PolarHBondContact O-N 3.24Å; A522-Q525 PolarHBondContact O-N 3.11Å; A522-Q526 WeakPolarHBondContact O-CB 3.31Å; A522-Q526 PolarHBondContact O-N 3.34Å; A522-V609 HydrophobicContact CB-CG2 3.59Å |
| 523 | F | 91.1 | Very high | 85.5 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.9 | -72 | -35.5 | 0 | 0 | 0 | 112.5 | T519 V520 I521 Q525 Q526 I527 | T519-F523 HydrophobicContact CG2-CD2 3.83Å; T519-F523 HydrophobicContact CG2-CE2 3.35Å; T519-F523 HydrophobicContact CG2-CZ 3.93Å; T519-F523 WeakPolarHBondContact O-CD2 3.5Å; T519-F523 WeakPolarHBondContact O-CG 3.17Å; T519-F523 PolarHBondContact O-N 2.98Å; V520-F523 PolarHBondContact O-N 2.98Å; I521-F523 PolarHBondContact O-N 2.79Å; F523-Q525 VanDerWaalsContact C-N 3.35Å; F523-Q525 PolarHBondContact O-N 2.58Å; F523-Q526 PolarHBondContact O-N 3.01Å; F523-I527 WeakPolarHBondContact O-CB 3.44Å; F523-I527 VanDerWaalsContact O-CG1 3.25Å; F523-I527 WeakPolarHBondContact O-CG1 3.24Å; F523-I527 PolarHBondContact O-N 3.41Å |
| 524 | K | 91.5 | Very high | 87.3 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -45 | 177.1 | 177.5 | 55.6 | 178.3 | 153.5 | 0 | 111.5 | P477 V520 I521 Q526 I527 D528 | P477-K524 HydrophobicContact CB-CB 3.65Å; P477-K524 HydrophobicContact CB-CG 3.73Å; V520-K524 WeakPolarHBondContact O-CB 3.36Å; V520-K524 PolarHBondContact O-N 2.77Å; I521-K524 PolarHBondContact O-N 3.41Å; K524-Q526 PolarHBondContact O-N 2.87Å; K524-I527 PolarHBondContact O-N 3.36Å; K524-D528 WeakPolarHBondContact CE-OD1 3.2Å; K524-D528 WeakPolarHBondContact CE-OD2 3.46Å; K524-D528 IonicContact NZ-OD1 2.91Å; K524-D528 PolarHBondContact NZ-OD1 3.01Å; K524-D528 IonicContact NZ-OD2 3.31Å; K524-D528 VanDerWaalsContact O-CG 3.24Å; K524-D528 PolarHBondContact O-N 3.35Å |
| 525 | Q | 91.7 | Very high | 88.9 | Confident | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.4 | -70.9 | 175.2 | 0.2 | 0 | 0 | 112.2 | I521 A522 F523 D528 S529 W606 Y629 W634 | I521-Q525 HydrophobicContact CG2-CG 4.32Å; I521-Q525 VanDerWaalsContact CG2-NE2 3.3Å; I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.29Å; I521-Q525 WeakPolarHBondContact O-CG 3.23Å; I521-Q525 PolarHBondContact O-N 3.12Å; A522-Q525 PolarHBondContact O-N 3.11Å; F523-Q525 VanDerWaalsContact C-N 3.35Å; F523-Q525 PolarHBondContact O-N 2.58Å; Q525-D528 PolarHBondContact O-N 3.37Å; Q525-S529 WeakPolarHBondContact O-CB 3.15Å; Q525-S529 PolarHBondContact O-N 2.89Å; Q525-W606 HydrophobicContact CB-CH2 3.68Å; Q525-W606 HydrophobicContact CB-CZ3 3.82Å; Q525-Y629 PolarHBondContact NE2-OH 2.99Å; Q525-W634 HydrophobicContact CB-CH2 4.38Å; Q525-W634 HydrophobicContact CB-CZ2 3.66Å; Q525-W634 HydrophobicContact CG-CZ2 3.87Å |
| 526 | Q | 93.1 | Very high | 90 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.8 | -170.2 | -177.5 | 8.5 | 0 | 0 | 111.4 | A522 F523 K524 D528 S529 L530 I604 W606 | A522-Q526 WeakPolarHBondContact O-CB 3.31Å; A522-Q526 PolarHBondContact O-N 3.34Å; F523-Q526 PolarHBondContact O-N 3.01Å; K524-Q526 PolarHBondContact O-N 2.87Å; Q526-D528 VanDerWaalsContact C-N 3.32Å; Q526-D528 PolarHBondContact O-N 3.42Å; Q526-S529 WeakPolarHBondContact O-CB 3.14Å; Q526-S529 PolarHBondContact O-N 3.06Å; Q526-L530 HydrophobicContact CG-CD1 4.14Å; Q526-L530 HydrophobicContact CG-CG 4.44Å; Q526-L530 WeakPolarHBondContact O-CB 3.44Å; Q526-L530 VanDerWaalsContact O-CG 3.29Å; Q526-L530 WeakPolarHBondContact O-CG 3.25Å; Q526-L530 PolarHBondContact O-N 3.27Å; Q526-I604 PolarHBondContact NE2-O 3.35Å; Q526-W606 HydrophobicContact CB-CD2 3.96Å; Q526-W606 HydrophobicContact CB-CE3 4.04Å; Q526-W606 HydrophobicContact CB-CG 4.42Å; Q526-W606 HydrophobicContact CB-CZ2 4.46Å; Q526-W606 HydrophobicContact CB-CZ3 4.34Å; Q526-W606 HydrophobicContact CG-CD2 4.02Å; Q526-W606 HydrophobicContact CG-CG 4.01Å |
| 527 | I | 93.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 45 Ų | 45 | 48% | 0.482 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.3 | -71.3 | 164.9 | 0 | 0 | 0 | 110.7 | F523 K524 L530 S531 | F523-I527 WeakPolarHBondContact O-CB 3.44Å; F523-I527 VanDerWaalsContact O-CG1 3.25Å; F523-I527 WeakPolarHBondContact O-CG1 3.24Å; F523-I527 PolarHBondContact O-N 3.41Å; K524-I527 PolarHBondContact O-N 3.36Å; I527-L530 PolarHBondContact O-N 3.14Å; I527-S531 VanDerWaalsContact O-CB 3.31Å; I527-S531 WeakPolarHBondContact O-CB 3.37Å; I527-S531 PolarHBondContact O-N 3.4Å; I527-S531 PolarHBondContact O-OG 2.86Å |
| 528 | D | 90.9 | Very high | 90.8 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 179.3 | -70.2 | -17 | 0 | 0 | 0 | 111.9 | K524 Q525 Q526 S532 W634 | K524-D528 WeakPolarHBondContact CE-OD1 3.2Å; K524-D528 WeakPolarHBondContact CE-OD2 3.46Å; K524-D528 IonicContact NZ-OD1 2.91Å; K524-D528 PolarHBondContact NZ-OD1 3.01Å; K524-D528 IonicContact NZ-OD2 3.31Å; K524-D528 VanDerWaalsContact O-CG 3.24Å; K524-D528 PolarHBondContact O-N 3.35Å; Q525-D528 PolarHBondContact O-N 3.37Å; Q526-D528 VanDerWaalsContact C-N 3.32Å; Q526-D528 PolarHBondContact O-N 3.42Å; D528-S532 WeakPolarHBondContact O-CB 3.47Å; D528-S532 PolarHBondContact O-N 2.62Å; D528-S532 PolarHBondContact O-OG 2.94Å; D528-W634 HydrophobicContact CB-CH2 4.32Å |
| 529 | S | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 173.7 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | Q525 Q526 S531 S532 H533 H654 | Q525-S529 WeakPolarHBondContact O-CB 3.15Å; Q525-S529 PolarHBondContact O-N 2.89Å; Q526-S529 WeakPolarHBondContact O-CB 3.14Å; Q526-S529 PolarHBondContact O-N 3.06Å; S529-S531 VanDerWaalsContact C-N 3.34Å; S529-S531 PolarHBondContact O-N 3.5Å; S529-S532 PolarHBondContact O-N 3.46Å; S529-H533 WeakPolarHBondContact O-CB 3.32Å; S529-H533 PolarHBondContact O-N 3.16Å; S529-H654 PolarHBondContact O-NE2 2.82Å; S529-H654 PolarHBondContact OG-CE1 2.8Å; S529-H654 PolarHBondContact OG-NE2 2.82Å; S529-H654 VanDerWaalsContact OG-NE2 3.16Å |
| 530 | L | 93.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.8 | -69.5 | 175.6 | 0 | 0 | 0 | 111.9 | Q526 I527 H533 I534 I604 | Q526-L530 HydrophobicContact CG-CD1 4.14Å; Q526-L530 HydrophobicContact CG-CG 4.44Å; Q526-L530 WeakPolarHBondContact O-CB 3.44Å; Q526-L530 VanDerWaalsContact O-CG 3.29Å; Q526-L530 WeakPolarHBondContact O-CG 3.25Å; Q526-L530 PolarHBondContact O-N 3.27Å; I527-L530 PolarHBondContact O-N 3.14Å; L530-H533 PolarHBondContact O-N 3.36Å; L530-I534 VanDerWaalsContact O-CG1 3.27Å; L530-I534 WeakPolarHBondContact O-CG1 3.08Å; L530-I534 PolarHBondContact O-N 2.9Å; L530-I604 HydrophobicContact CD2-CG2 4.35Å |
| 531 | S | 92.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | I527 S529 H533 I534 E535 | I527-S531 VanDerWaalsContact O-CB 3.31Å; I527-S531 WeakPolarHBondContact O-CB 3.37Å; I527-S531 PolarHBondContact O-N 3.4Å; I527-S531 PolarHBondContact O-OG 2.86Å; S529-S531 VanDerWaalsContact C-N 3.34Å; S529-S531 PolarHBondContact O-N 3.5Å; S531-H533 VanDerWaalsContact C-N 3.3Å; S531-H533 PolarHBondContact O-N 2.66Å; S531-I534 PolarHBondContact O-N 3.09Å; S531-E535 PolarHBondContact O-N 3.34Å |
| 532 | S | 91.4 | Very high | 91.1 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | D528 S529 F536 | D528-S532 WeakPolarHBondContact O-CB 3.47Å; D528-S532 PolarHBondContact O-N 2.62Å; D528-S532 PolarHBondContact O-OG 2.94Å; S529-S532 PolarHBondContact O-N 3.46Å; S532-F536 WeakPolarHBondContact O-CB 3.3Å; S532-F536 PolarHBondContact O-N 3.36Å |
| 533 | H | 91.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.102 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 177.3 | -166.4 | 54.1 | 0 | 0 | 0 | 112.8 | S529 L530 S531 F536 L537 V602 G653 | S529-H533 WeakPolarHBondContact O-CB 3.32Å; S529-H533 PolarHBondContact O-N 3.16Å; L530-H533 PolarHBondContact O-N 3.36Å; S531-H533 VanDerWaalsContact C-N 3.3Å; S531-H533 PolarHBondContact O-N 2.66Å; H533-F536 WeakPolarHBondContact O-CB 3.5Å; H533-F536 PolarHBondContact O-N 2.97Å; H533-L537 WeakPolarHBondContact O-CB 3.47Å; H533-L537 VanDerWaalsContact O-CG 3.29Å; H533-L537 WeakPolarHBondContact O-CG 3.47Å; H533-L537 PolarHBondContact O-N 3.41Å; H533-V602 HydrophobicContact CB-CG1 4.22Å; H533-G653 PolarHBondContact ND1-O 3.23Å |
| 534 | I | 91.9 | Very high | 90.9 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.2 | -72.1 | 164.2 | 0 | 0 | 0 | 110.3 | L530 S531 F536 L537 N538 | L530-I534 VanDerWaalsContact O-CG1 3.27Å; L530-I534 WeakPolarHBondContact O-CG1 3.08Å; L530-I534 PolarHBondContact O-N 2.9Å; S531-I534 PolarHBondContact O-N 3.09Å; I534-F536 VanDerWaalsContact C-N 3.33Å; I534-F536 PolarHBondContact O-N 3.02Å; I534-L537 PolarHBondContact O-N 3.33Å; I534-N538 WeakPolarHBondContact O-CB 3.26Å; I534-N538 VanDerWaalsContact O-CG 3.29Å; I534-N538 PolarHBondContact O-N 3.38Å; I534-N538 PolarHBondContact O-ND2 3.05Å |
| 535 | E | 91.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.3 | 179.8 | 55.9 | -150.7 | 0 | 0 | 111.5 | S531 L537 N538 Q539 | S531-E535 PolarHBondContact O-N 3.34Å; E535-L537 PolarHBondContact O-N 2.84Å; E535-N538 PolarHBondContact O-N 3.43Å; E535-Q539 WeakPolarHBondContact O-CG 3.43Å; E535-Q539 PolarHBondContact O-N 3.47Å; E535-Q539 PolarHBondContact OE1-NE2 2.87Å |
| 536 | F | 90.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.8 | 170.2 | -100.5 | 0 | 0 | 0 | 113.2 | S532 H533 I534 Q539 K540 T597 P652 G653 D655 | S532-F536 WeakPolarHBondContact O-CB 3.3Å; S532-F536 PolarHBondContact O-N 3.36Å; H533-F536 WeakPolarHBondContact O-CB 3.5Å; H533-F536 PolarHBondContact O-N 2.97Å; I534-F536 VanDerWaalsContact C-N 3.33Å; I534-F536 PolarHBondContact O-N 3.02Å; F536-Q539 PolarHBondContact O-N 3.43Å; F536-K540 HydrophobicContact CD1-CD 4.2Å; F536-K540 HydrophobicContact CE1-CD 3.7Å; F536-K540 VanDerWaalsContact CE1-NZ 3.32Å; F536-K540 HydrophobicContact CE2-CD 4.2Å; F536-K540 VanDerWaalsContact CE2-CE 3.43Å; F536-K540 HydrophobicContact CZ-CD 3.8Å; F536-K540 PolarHBondContact O-N 3.18Å; F536-K540 VanDerWaalsContact O-N 3.12Å; F536-T597 WeakPolarHBondContact CE1-O 3.39Å; F536-P652 WeakPolarHBondContact CE2-O 3.31Å; F536-P652 WeakPolarHBondContact CZ-O 3.46Å; F536-G653 WeakPolarHBondContact CB-O 3.21Å; F536-G653 VanDerWaalsContact CD1-O 3.32Å; F536-G653 WeakPolarHBondContact CD1-O 3.36Å; F536-G653 WeakPolarHBondContact CG-O 3.48Å; F536-D655 WeakPolarHBondContact CD2-O 3.25Å; F536-D655 HydrophobicContact CE2-CB 4.17Å |
| 537 | L | 90.1 | Very high | 90.3 | Very high | 52 Ų | 52 | 68 Ų | 68 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 177.2 | -71.2 | 175 | 0 | 0 | 0 | 111.6 | H533 I534 E535 Q539 K540 I541 | H533-L537 WeakPolarHBondContact O-CB 3.47Å; H533-L537 VanDerWaalsContact O-CG 3.29Å; H533-L537 WeakPolarHBondContact O-CG 3.47Å; H533-L537 PolarHBondContact O-N 3.41Å; I534-L537 PolarHBondContact O-N 3.33Å; E535-L537 PolarHBondContact O-N 2.84Å; L537-Q539 PolarHBondContact O-N 3.4Å; L537-K540 PolarHBondContact O-N 3.06Å; L537-I541 VanDerWaalsContact O-CG1 3.29Å; L537-I541 WeakPolarHBondContact O-CG1 3.42Å; L537-I541 PolarHBondContact O-N 2.92Å |
| 538 | N | 91.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.1 | -73.4 | -25.4 | 0 | 0 | 0 | 111.7 | I534 E535 K540 I541 E542 | I534-N538 WeakPolarHBondContact O-CB 3.26Å; I534-N538 VanDerWaalsContact O-CG 3.29Å; I534-N538 PolarHBondContact O-N 3.38Å; I534-N538 PolarHBondContact O-ND2 3.05Å; E535-N538 PolarHBondContact O-N 3.43Å; N538-K540 VanDerWaalsContact C-N 3.26Å; N538-K540 PolarHBondContact O-N 3.36Å; N538-I541 PolarHBondContact O-N 2.99Å; N538-E542 WeakPolarHBondContact O-CB 3.49Å; N538-E542 PolarHBondContact O-N 3.38Å |
| 539 | Q | 89.5 | Confident | 89.4 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 27% | 0.271 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 176.2 | -69.9 | 176.5 | 14.7 | 0 | 0 | 112.4 | E535 F536 L537 K543 | E535-Q539 WeakPolarHBondContact O-CG 3.43Å; E535-Q539 PolarHBondContact O-N 3.47Å; E535-Q539 PolarHBondContact OE1-NE2 2.87Å; F536-Q539 PolarHBondContact O-N 3.43Å; L537-Q539 PolarHBondContact O-N 3.4Å; Q539-K543 WeakPolarHBondContact O-CG 3.13Å; Q539-K543 PolarHBondContact O-N 2.57Å |
| 540 | K | 86.9 | Confident | 88.8 | Confident | 50 Ų | 50 | 78 Ų | 78 | 22% | 0.217 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.2 | -44.6 | 175.8 | -76.9 | -177.4 | 166.4 | -174.6 | 0 | 112.4 | F536 L537 N538 E542 K543 L544 L596 | F536-K540 HydrophobicContact CD1-CD 4.2Å; F536-K540 HydrophobicContact CE1-CD 3.7Å; F536-K540 VanDerWaalsContact CE1-NZ 3.32Å; F536-K540 HydrophobicContact CE2-CD 4.2Å; F536-K540 VanDerWaalsContact CE2-CE 3.43Å; F536-K540 HydrophobicContact CZ-CD 3.8Å; F536-K540 PolarHBondContact O-N 3.18Å; F536-K540 VanDerWaalsContact O-N 3.12Å; L537-K540 PolarHBondContact O-N 3.06Å; N538-K540 VanDerWaalsContact C-N 3.26Å; N538-K540 PolarHBondContact O-N 3.36Å; K540-E542 VanDerWaalsContact C-N 3.29Å; K540-E542 PolarHBondContact O-N 3.18Å; K540-K543 PolarHBondContact O-N 2.6Å; K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 3.3Å; K540-L596 WeakPolarHBondContact CD-O 3.28Å; K540-L596 WeakPolarHBondContact CE-O 3.49Å; K540-L596 PolarHBondContact NZ-O 3.48Å |
| 541 | I | 89.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 52% | 0.518 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.9 | -69.7 | 165.4 | 0 | 0 | 0 | 110.1 | L537 N538 K543 L544 T545 | L537-I541 VanDerWaalsContact O-CG1 3.29Å; L537-I541 WeakPolarHBondContact O-CG1 3.42Å; L537-I541 PolarHBondContact O-N 2.92Å; N538-I541 PolarHBondContact O-N 2.99Å; I541-K543 PolarHBondContact O-N 3.07Å; I541-L544 PolarHBondContact O-N 2.96Å; I541-T545 WeakPolarHBondContact O-CB 3.1Å; I541-T545 PolarHBondContact O-N 3.35Å; I541-T545 PolarHBondContact O-OG1 3.21Å |
| 542 | E | 90.1 | Very high | 87.3 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 49% | 0.486 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.5 | -168.9 | -172.3 | 167.4 | 0 | 0 | 112.1 | N538 K540 T545 K546 | N538-E542 WeakPolarHBondContact O-CB 3.49Å; N538-E542 PolarHBondContact O-N 3.38Å; K540-E542 VanDerWaalsContact C-N 3.29Å; K540-E542 PolarHBondContact O-N 3.18Å; E542-T545 PolarHBondContact O-N 2.98Å; E542-K546 HydrophobicContact CG-CD 4.47Å; E542-K546 WeakPolarHBondContact O-CG 3.35Å; E542-K546 PolarHBondContact O-N 2.73Å; E542-K546 VanDerWaalsContact OE1-CE 3.27Å; E542-K546 WeakPolarHBondContact OE1-CE 3.26Å; E542-K546 IonicContact OE1-NZ 2.64Å; E542-K546 PolarHBondContact OE1-NZ 3.24Å |
| 543 | K | 88.1 | Confident | 86.4 | Confident | 147 Ų | 147 | 82.4 Ų | 82.4 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 176.2 | -75.3 | 175.3 | -176.8 | 178.2 | 0 | 112.3 | Q539 K540 I541 A547 | Q539-K543 WeakPolarHBondContact O-CG 3.13Å; Q539-K543 PolarHBondContact O-N 2.57Å; K540-K543 PolarHBondContact O-N 2.6Å; I541-K543 PolarHBondContact O-N 3.07Å; K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.03Å |
| 544 | L | 87.6 | Confident | 85.4 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.3 | -70.5 | 173.4 | 0 | 0 | 0 | 111.4 | K540 I541 K546 A547 E548 | K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 3.3Å; I541-L544 PolarHBondContact O-N 2.96Å; L544-K546 PolarHBondContact O-N 3.28Å; L544-A547 WeakPolarHBondContact O-CB 3.48Å; L544-A547 PolarHBondContact O-N 3.37Å; L544-A547 VanDerWaalsContact O-N 3.16Å; L544-E548 PolarHBondContact O-N 2.81Å |
| 545 | T | 89.1 | Confident | 84.2 | Confident | 61 Ų | 61 | 86 Ų | 86 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 111 | I541 E542 A547 E548 E549 | I541-T545 WeakPolarHBondContact O-CB 3.1Å; I541-T545 PolarHBondContact O-N 3.35Å; I541-T545 PolarHBondContact O-OG1 3.21Å; E542-T545 PolarHBondContact O-N 2.98Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 2.8Å; T545-E548 PolarHBondContact O-N 3.08Å; T545-E549 WeakPolarHBondContact O-CG 3.35Å; T545-E549 PolarHBondContact O-N 3.27Å |
| 546 | K | 87.7 | Confident | 82.8 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 174 | -73.4 | 176.2 | -175 | 170 | 0 | 112.5 | E542 L544 E549 I550 | E542-K546 HydrophobicContact CG-CD 4.47Å; E542-K546 WeakPolarHBondContact O-CG 3.35Å; E542-K546 PolarHBondContact O-N 2.73Å; E542-K546 VanDerWaalsContact OE1-CE 3.27Å; E542-K546 WeakPolarHBondContact OE1-CE 3.26Å; E542-K546 IonicContact OE1-NZ 2.64Å; E542-K546 PolarHBondContact OE1-NZ 3.24Å; L544-K546 PolarHBondContact O-N 3.28Å; K546-E549 PolarHBondContact O-N 2.87Å; K546-I550 WeakPolarHBondContact O-CD1 3.42Å; K546-I550 VanDerWaalsContact O-CG1 3.23Å; K546-I550 WeakPolarHBondContact O-CG1 3.3Å; K546-I550 PolarHBondContact O-N 3.03Å |
| 547 | A | 86 | Confident | 81.1 | Confident | 53 Ų | 53 | 93.4 Ų | 93.4 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K543 L544 T545 I550 S551 | K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.03Å; L544-A547 WeakPolarHBondContact O-CB 3.48Å; L544-A547 PolarHBondContact O-N 3.37Å; L544-A547 VanDerWaalsContact O-N 3.16Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 2.8Å; A547-I550 PolarHBondContact O-N 2.79Å; A547-S551 VanDerWaalsContact O-CB 3.32Å; A547-S551 WeakPolarHBondContact O-CB 3.38Å; A547-S551 PolarHBondContact O-N 2.99Å |
| 548 | E | 85.1 | Confident | 79.4 | Confident | 139 Ų | 139 | 97.4 Ų | 97.4 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | 173.6 | -76.6 | -174.8 | 168 | 0 | 0 | 112.1 | L544 T545 I550 S551 S552 | L544-E548 PolarHBondContact O-N 2.81Å; T545-E548 PolarHBondContact O-N 3.08Å; E548-I550 PolarHBondContact O-N 3.43Å; E548-S551 PolarHBondContact O-N 2.82Å; E548-S552 WeakPolarHBondContact O-CB 3.48Å; E548-S552 PolarHBondContact O-N 3.02Å; E548-S552 PolarHBondContact O-OG 2.78Å |
| 549 | E | 81.5 | Confident | 77.4 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 173.7 | -75.8 | 176.2 | 178.3 | 0 | 0 | 111.2 | T545 K546 S551 S552 L553 | T545-E549 WeakPolarHBondContact O-CG 3.35Å; T545-E549 PolarHBondContact O-N 3.27Å; K546-E549 PolarHBondContact O-N 2.87Å; E549-S551 VanDerWaalsContact C-N 3.34Å; E549-S551 PolarHBondContact O-N 3.18Å; E549-S552 PolarHBondContact O-N 2.9Å; E549-S552 PolarHBondContact O-OG 3.33Å; E549-L553 WeakPolarHBondContact O-CG 3.33Å; E549-L553 PolarHBondContact O-N 2.86Å |
| 550 | I | 79.5 | Confident | 75.3 | Confident | 96 Ų | 96 | 103 Ų | 103 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.6 | -67.7 | 164.7 | 0 | 0 | 0 | 111.1 | K546 A547 E548 L553 K554 | K546-I550 WeakPolarHBondContact O-CD1 3.42Å; K546-I550 VanDerWaalsContact O-CG1 3.23Å; K546-I550 WeakPolarHBondContact O-CG1 3.3Å; K546-I550 PolarHBondContact O-N 3.03Å; A547-I550 PolarHBondContact O-N 2.79Å; E548-I550 PolarHBondContact O-N 3.43Å; I550-L553 PolarHBondContact O-N 3.17Å; I550-K554 HydrophobicContact CG2-CD 4.48Å; I550-K554 WeakPolarHBondContact O-CG 3.31Å; I550-K554 PolarHBondContact O-N 2.71Å |
| 551 | S | 78.8 | Confident | 73 | Confident | 74 Ų | 74 | 104.4 Ų | 104.4 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | A547 E548 E549 K554 S555 | A547-S551 VanDerWaalsContact O-CB 3.32Å; A547-S551 WeakPolarHBondContact O-CB 3.38Å; A547-S551 PolarHBondContact O-N 2.99Å; E548-S551 PolarHBondContact O-N 2.82Å; E549-S551 VanDerWaalsContact C-N 3.34Å; E549-S551 PolarHBondContact O-N 3.18Å; S551-K554 PolarHBondContact O-N 2.93Å; S551-S555 PolarHBondContact O-N 3.35Å; S551-S555 PolarHBondContact O-OG 2.98Å |
| 552 | S | 75.3 | Confident | 70.5 | Confident | 52 Ų | 52 | 107.2 Ų | 107.2 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.9 | -32.2 | 177.9 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | E548 E549 S555 K556 | E548-S552 WeakPolarHBondContact O-CB 3.48Å; E548-S552 PolarHBondContact O-N 3.02Å; E548-S552 PolarHBondContact O-OG 2.78Å; E549-S552 PolarHBondContact O-N 2.9Å; E549-S552 PolarHBondContact O-OG 3.33Å; S552-S555 WeakPolarHBondContact CA-OG 3.22Å; S552-S555 PolarHBondContact O-OG 3.42Å; S552-K556 WeakPolarHBondContact O-CB 3.49Å; S552-K556 WeakPolarHBondContact O-CG 3.14Å; S552-K556 PolarHBondContact O-N 3.46Å; S552-K556 VanDerWaalsContact O-N 3.1Å |
| 553 | L | 72.5 | Confident | 67.6 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69 | -39.7 | 172.1 | -75.2 | 164.2 | 0 | 0 | 0 | 111.1 | E549 I550 S557 | E549-L553 WeakPolarHBondContact O-CG 3.33Å; E549-L553 PolarHBondContact O-N 2.86Å; I550-L553 PolarHBondContact O-N 3.17Å; L553-S557 PolarHBondContact O-N 3.24Å; L553-S557 VanDerWaalsContact O-N 3.13Å; L553-S557 PolarHBondContact O-OG 2.96Å |
| 554 | K | 72 | Confident | 64.8 | Low | 127 Ų | 127 | 111.5 Ų | 111.5 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.6 | -45.3 | 175.1 | -74.3 | 179.8 | 178.4 | -175 | 0 | 112.3 | I550 S551 K556 S557 E558 | I550-K554 HydrophobicContact CG2-CD 4.48Å; I550-K554 WeakPolarHBondContact O-CG 3.31Å; I550-K554 PolarHBondContact O-N 2.71Å; S551-K554 PolarHBondContact O-N 2.93Å; K554-K556 VanDerWaalsContact C-N 3.31Å; K554-K556 PolarHBondContact O-N 2.85Å; K554-S557 WeakPolarHBondContact CA-OG 3.32Å; K554-S557 PolarHBondContact O-N 2.84Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 3.32Å; K554-E558 WeakPolarHBondContact O-CG 3.31Å; K554-E558 PolarHBondContact O-N 3.32Å; K554-E558 VanDerWaalsContact O-N 3.1Å |
| 555 | S | 66.2 | Low | 62.1 | Low | 68 Ų | 68 | 114 Ų | 114 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -31.4 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | S551 S552 E558 G559 | S551-S555 PolarHBondContact O-N 3.35Å; S551-S555 PolarHBondContact O-OG 2.98Å; S552-S555 WeakPolarHBondContact CA-OG 3.22Å; S552-S555 PolarHBondContact O-OG 3.42Å; S555-E558 PolarHBondContact O-N 3.45Å; S555-G559 PolarHBondContact O-N 2.94Å; S555-G559 VanDerWaalsContact O-N 3.1Å |
| 556 | K | 61 | Low | 59.2 | Low | 168 Ų | 168 | 114.1 Ų | 114.1 | 73% | 0.73 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.8 | -31.5 | 170.6 | -79.8 | -179.6 | 178.9 | 176.2 | 0 | 113.6 | S552 K554 E558 | S552-K556 WeakPolarHBondContact O-CB 3.49Å; S552-K556 WeakPolarHBondContact O-CG 3.14Å; S552-K556 PolarHBondContact O-N 3.46Å; S552-K556 VanDerWaalsContact O-N 3.1Å; K554-K556 VanDerWaalsContact C-N 3.31Å; K554-K556 PolarHBondContact O-N 2.85Å; K556-E558 VanDerWaalsContact C-N 3.34Å |
| 557 | S | 56.3 | Low | 56.3 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.1 | -21.9 | 172.9 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | L553 K554 | L553-S557 PolarHBondContact O-N 3.24Å; L553-S557 VanDerWaalsContact O-N 3.13Å; L553-S557 PolarHBondContact O-OG 2.96Å; K554-S557 WeakPolarHBondContact CA-OG 3.32Å; K554-S557 PolarHBondContact O-N 2.84Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 3.32Å |
| 558 | E | 54.4 | Low | 53.6 | Low | 135 Ų | 135 | 116.6 Ų | 116.6 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.5 | -19 | -179.7 | -71.2 | 174.1 | 178.7 | 0 | 0 | 113.2 | K554 S555 K556 E560 S561 | K554-E558 WeakPolarHBondContact O-CG 3.31Å; K554-E558 PolarHBondContact O-N 3.32Å; K554-E558 VanDerWaalsContact O-N 3.1Å; S555-E558 PolarHBondContact O-N 3.45Å; K556-E558 VanDerWaalsContact C-N 3.34Å; E558-E560 PolarHBondContact O-N 3.49Å; E558-E560 VanDerWaalsContact O-N 3.13Å; E558-S561 PolarHBondContact O-N 2.62Å |
| 559 | G | 49.6 | Very low | 50.9 | Low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -0.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | S555 | S555-G559 PolarHBondContact O-N 2.94Å; S555-G559 VanDerWaalsContact O-N 3.1Å |
| 560 | E | 43.7 | Very low | 48.4 | Very low | 193 Ų | 193 | 117.9 Ų | 117.9 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 11.4 | 174 | -81.2 | -171.7 | 165.5 | 0 | 0 | 114.1 | E558 | E558-E560 PolarHBondContact O-N 3.49Å; E558-E560 VanDerWaalsContact O-N 3.13Å |
| 561 | S | 40 | Very low | 46 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -141.6 | 126.1 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | E558 | E558-S561 PolarHBondContact O-N 2.62Š|
| 562 | N | 36.5 | Very low | 43.6 | Very low | 159 Ų | 159 | 118.4 Ų | 118.4 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | trans | 100.4 | 83.5 | 154.8 | -57.3 | -24.5 | 0 | 0 | 0 | 117.7 | ||||
| 563 | E | 29.9 | Very low | 41.3 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -54.1 | 159.7 | 139.7 | -68.2 | 179.9 | 141.3 | 0 | 0 | 112.9 | ||||
| 564 | M | 28.9 | Very low | 39.3 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | 99.2 | 120 | 157.4 | -86.7 | -175.7 | -167.1 | 0 | 0 | 120.9 | ||||
| 565 | N | 31.4 | Very low | 37.3 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | 79.8 | 120.8 | 149.7 | -57.8 | -20.4 | 0 | 0 | 0 | 116.6 | ||||
| 566 | G | 27.3 | Very low | 35.4 | Very low | 63 Ų | 63 | 124.2 Ų | 124.2 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | 126.4 | 120.3 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 567 | S | 27.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 64.1 | 142.5 | 155.3 | 67.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 568 | S | 28.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | cis | 173.5 | 150.1 | 4.4 | -97.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 569 | I | 28.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 70.2 | 136.9 | 131.2 | -67.8 | 173.5 | 0 | 0 | 0 | 116.6 | ||||
| 570 | D | 28.5 | Very low | 30.1 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -173.5 | 161.7 | 18.1 | -133.4 | -14.5 | 0 | 0 | 0 | 111.7 | ||||
| 571 | S | 29 | Very low | 29.2 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 53.1 | 154.9 | 135.8 | 75.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 572 | A | 29.9 | Very low | 28.5 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | cis | -174.3 | 148.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 573 | I | 26.8 | Very low | 28 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 50 | 119.1 | 138.1 | -54 | 166.2 | 0 | 0 | 0 | 120.3 | ||||
| 574 | D | 30.8 | Very low | 27.8 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | -160.5 | 153.4 | 116.9 | -135 | -15.7 | 0 | 0 | 0 | 114.7 | |||||
| 575 | A | 28.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 118 Ų | 118 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -97.5 | 153.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 576 | G | 28.4 | Very low | 27.7 | Very low | 78 Ų | 78 | 120.7 Ų | 120.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -176.9 | 101 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 577 | N | 27.7 | Very low | 28 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 22.4 | 123.6 | 152.2 | -84.7 | 1.5 | 0 | 0 | 0 | 123.7 | ||||
| 578 | S | 25.4 | Very low | 28.6 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | 29.3 | 118.6 | 130 | 64.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 579 | E | 27.5 | Very low | 29.2 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | -173.7 | 134.5 | 107.2 | -101.8 | 176.5 | -170.5 | 0 | 0 | 112.1 | |||||
| 580 | S | 27.4 | Very low | 29.8 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 64.4 | 86.3 | 142.4 | -49.3 | 0 | 0 | 0 | 0 | 118.9 | S582 | S580-S582 PolarHBondContact O-N 2.9Š| ||
| 581 | A | 26.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | trans | -65.2 | 114.5 | 163 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 582 | S | 25.7 | Very low | 32.1 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -123.9 | 67.4 | 157.7 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | S580 | S580-S582 PolarHBondContact O-N 2.9Š| ||
| 583 | N | 24.6 | Very low | 33.3 | Very low | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -102.4 | 92.4 | -179.7 | -141.4 | 6.6 | 0 | 0 | 0 | 109.6 | ||||
| 584 | S | 26.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -149 | 48.5 | 163.3 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 585 | G | 28.8 | Very low | 36.2 | Very low | 59 Ų | 59 | 112.4 Ų | 112.4 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | trans | -100.3 | 86 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | D587 | G585-D587 PolarHBondContact O-N 2.84Š| ||
| 586 | K | 28.7 | Very low | 37.5 | Very low | 209 Ų | 209 | 113.1 Ų | 113.1 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | trans | -72.9 | 74.7 | 165.3 | -79.5 | -174.6 | 177.8 | 179 | 0 | 107.6 | S588 | K586-S588 PolarHBondContact O-N 3.26Å; K586-S588 VanDerWaalsContact O-N 3.12Å | ||
| 587 | D | 34 | Very low | 39.1 | Very low | 145 Ų | 145 | 111.2 Ų | 111.2 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | trans | -64.4 | 107.7 | 158.1 | -78.8 | -31.6 | 0 | 0 | 0 | 106.2 | G585 Q589 | G585-D587 PolarHBondContact O-N 2.84Å; D587-Q589 PolarHBondContact O-N 2.91Å | ||
| 588 | S | 39.5 | Very low | 40.8 | Very low | 110 Ų | 110 | 104 Ų | 104 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -63.4 | 86.2 | 169.4 | 53.7 | 0 | 0 | 0 | 0 | 107.6 | K586 T590 | K586-S588 PolarHBondContact O-N 3.26Å; K586-S588 VanDerWaalsContact O-N 3.12Å; S588-T590 VanDerWaalsContact C-N 3.28Å; S588-T590 PolarHBondContact O-N 3.23Å | ||
| 589 | Q | 41.9 | Very low | 42.6 | Very low | 183 Ų | 183 | 107 Ų | 107 | 86% | 0.855 | 62% | 0.615 | S | S | * | * | trans | -60.1 | 97.8 | 162.8 | -72.6 | -174.6 | -8.9 | 0 | 0 | 106.5 | D587 S591 | D587-Q589 PolarHBondContact O-N 2.91Å; Q589-S591 PolarHBondContact O-N 3.14Å | ||
| 590 | T | 39.9 | Very low | 44.8 | Very low | 73 Ų | 73 | 103 Ų | 103 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | trans | -56.3 | 121.2 | 166.8 | 21.6 | 0 | 0 | 0 | 0 | 107.2 | S588 D594 | S588-T590 VanDerWaalsContact C-N 3.28Å; S588-T590 PolarHBondContact O-N 3.23Å; T590-D594 HydrophobicContact CG2-CB 4.26Å | ||
| 591 | S | 53.1 | Low | 47.5 | Very low | 40 Ų | 40 | 98.3 Ų | 98.3 | 28% | 0.28 | 57% | 0.566 | S | S | . | * | trans | -65.9 | 156.1 | 179.4 | 67.9 | 0 | 0 | 0 | 0 | 110 | Q589 V593 D594 E595 | Q589-S591 PolarHBondContact O-N 3.14Å; S591-V593 PolarHBondContact O-N 3.46Å; S591-V593 VanDerWaalsContact O-N 3.09Å; S591-D594 WeakPolarHBondContact CB-OD2 3.46Å; S591-D594 PolarHBondContact N-OD2 3.45Å; S591-D594 WeakPolarHBondContact O-CA 3.46Å; S591-D594 WeakPolarHBondContact O-CB 3.47Å; S591-D594 PolarHBondContact O-N 2.67Å; S591-D594 PolarHBondContact OG-N 2.78Å; S591-D594 VanDerWaalsContact OG-N 3.08Å; S591-D594 PolarHBondContact OG-OD1 3.17Å; S591-D594 PolarHBondContact OG-OD2 3.3Å; S591-E595 PolarHBondContact O-N 2.98Å; S591-E595 VanDerWaalsContact O-N 3.12Å | ||
| 592 | P | 53.8 | Low | 50.6 | Low | 96 Ų | 96 | 93.7 Ų | 93.7 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -53.1 | -31.4 | 170.5 | -26.4 | 34.4 | 0 | 0 | 0 | 112 | L596 | P592-L596 WeakPolarHBondContact O-CB 3.22Å; P592-L596 WeakPolarHBondContact O-CD1 3.26Å; P592-L596 VanDerWaalsContact O-CG 3.28Å; P592-L596 WeakPolarHBondContact O-CG 3.35Å; P592-L596 PolarHBondContact O-N 3.32Å |
| 593 | V | 55.4 | Low | 53.7 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | S591 L596 T597 | S591-V593 PolarHBondContact O-N 3.46Å; S591-V593 VanDerWaalsContact O-N 3.09Å; V593-L596 CarbonylContact O-C 3.55Å; V593-L596 PolarHBondContact O-N 2.86Å; V593-T597 HydrophobicContact CG1-CG2 4.08Å; V593-T597 VanDerWaalsContact O-CB 3.25Å; V593-T597 WeakPolarHBondContact O-CB 3.44Å; V593-T597 WeakPolarHBondContact O-CG2 3.45Å; V593-T597 PolarHBondContact O-N 3.23Å; V593-T597 PolarHBondContact O-OG1 2.84Å |
| 594 | D | 58.7 | Low | 56.9 | Low | 25 Ų | 25 | 86.2 Ų | 86.2 | 13% | 0.134 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 178.4 | -59.1 | -43.5 | 0 | 0 | 0 | 111.7 | T590 S591 T597 G598 R599 | T590-D594 HydrophobicContact CG2-CB 4.26Å; S591-D594 WeakPolarHBondContact CB-OD2 3.46Å; S591-D594 PolarHBondContact N-OD2 3.45Å; S591-D594 WeakPolarHBondContact O-CA 3.46Å; S591-D594 WeakPolarHBondContact O-CB 3.47Å; S591-D594 PolarHBondContact O-N 2.67Å; S591-D594 PolarHBondContact OG-N 2.78Å; S591-D594 VanDerWaalsContact OG-N 3.08Å; S591-D594 PolarHBondContact OG-OD1 3.17Å; S591-D594 PolarHBondContact OG-OD2 3.3Å; D594-T597 WeakPolarHBondContact CA-OG1 3.5Å; D594-T597 PolarHBondContact O-N 2.84Å; D594-T597 PolarHBondContact O-OG1 3.24Å; D594-G598 PolarHBondContact O-N 3.47Å; D594-R599 HydrophobicContact CB-CB 4Å; D594-R599 PolarHBondContact O-N 3.25Å; D594-R599 WeakPolarHBondContact OD1-CD 3.36Å; D594-R599 IonicContact OD1-CZ 3.76Å; D594-R599 IonicContact OD1-NE 3.33Å; D594-R599 IonicContact OD1-NH1 3.88Å; D594-R599 PolarHBondContact OD1-NH1 2.81Å |
| 595 | E | 59.8 | Low | 59.8 | Low | 112 Ų | 112 | 91 Ų | 91 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 171.3 | -72.4 | -178.7 | 172.8 | 0 | 0 | 111.6 | S591 T597 G598 | S591-E595 PolarHBondContact O-N 2.98Å; S591-E595 VanDerWaalsContact O-N 3.12Å; E595-T597 PolarHBondContact O-N 2.85Å; E595-G598 PolarHBondContact O-N 2.86Å |
| 596 | L | 55.2 | Low | 62.9 | Low | 110 Ų | 110 | 89.3 Ų | 89.3 | 58% | 0.576 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.5 | -19 | 176.6 | -83.1 | 159.2 | 0 | 0 | 0 | 113.4 | K540 P592 V593 | K540-L596 WeakPolarHBondContact CD-O 3.28Å; K540-L596 WeakPolarHBondContact CE-O 3.49Å; K540-L596 PolarHBondContact NZ-O 3.48Å; P592-L596 WeakPolarHBondContact O-CB 3.22Å; P592-L596 WeakPolarHBondContact O-CD1 3.26Å; P592-L596 VanDerWaalsContact O-CG 3.28Å; P592-L596 WeakPolarHBondContact O-CG 3.35Å; P592-L596 PolarHBondContact O-N 3.32Å; V593-L596 CarbonylContact O-C 3.55Å; V593-L596 PolarHBondContact O-N 2.86Å |
| 597 | T | 60.2 | Low | 65.9 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -104.9 | -5 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | F536 V593 D594 E595 R599 | F536-T597 WeakPolarHBondContact CE1-O 3.39Å; V593-T597 HydrophobicContact CG1-CG2 4.08Å; V593-T597 VanDerWaalsContact O-CB 3.25Å; V593-T597 WeakPolarHBondContact O-CB 3.44Å; V593-T597 WeakPolarHBondContact O-CG2 3.45Å; V593-T597 PolarHBondContact O-N 3.23Å; V593-T597 PolarHBondContact O-OG1 2.84Å; D594-T597 WeakPolarHBondContact CA-OG1 3.5Å; D594-T597 PolarHBondContact O-N 2.84Å; D594-T597 PolarHBondContact O-OG1 3.24Å; E595-T597 PolarHBondContact O-N 2.85Å; T597-R599 PolarHBondContact O-N 2.88Å |
| 598 | G | 63.5 | Low | 68.6 | Low | 3 Ų | 3 | 78 Ų | 78 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 27.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D594 E595 T601 | D594-G598 PolarHBondContact O-N 3.47Å; E595-G598 PolarHBondContact O-N 2.86Å; G598-T601 WeakPolarHBondContact O-CB 3.49Å; G598-T601 WeakPolarHBondContact O-CG2 3.49Å; G598-T601 PolarHBondContact O-N 3.01Å; G598-T601 VanDerWaalsContact O-N 3.14Å; G598-T601 PolarHBondContact O-OG1 3.3Å |
| 599 | R | 64.3 | Low | 70.8 | Confident | 158 Ų | 158 | 73.2 Ų | 73.2 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 143.2 | 179.3 | -152.6 | 179.6 | -174.5 | 176.5 | -0.6 | 109.3 | D594 T597 T601 | D594-R599 HydrophobicContact CB-CB 4Å; D594-R599 PolarHBondContact O-N 3.25Å; D594-R599 WeakPolarHBondContact OD1-CD 3.36Å; D594-R599 IonicContact OD1-CZ 3.76Å; D594-R599 IonicContact OD1-NE 3.33Å; D594-R599 IonicContact OD1-NH1 3.88Å; D594-R599 PolarHBondContact OD1-NH1 2.81Å; T597-R599 PolarHBondContact O-N 2.88Å; R599-T601 PolarHBondContact O-N 3.23Å |
| 600 | D | 73.6 | Confident | 72.7 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 15.7 | -174.1 | -51.1 | -30.3 | 0 | 0 | 0 | 116.2 | K671 | D600-K671 PolarHBondContact O-NZ 2.96Š|
| 601 | T | 84.2 | Confident | 74.9 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -100.1 | -18.1 | 167.3 | 71.5 | 0 | 0 | 0 | 0 | 113 | G598 R599 C635 L651 P652 G653 | G598-T601 WeakPolarHBondContact O-CB 3.49Å; G598-T601 WeakPolarHBondContact O-CG2 3.49Å; G598-T601 PolarHBondContact O-N 3.01Å; G598-T601 VanDerWaalsContact O-N 3.14Å; G598-T601 PolarHBondContact O-OG1 3.3Å; R599-T601 PolarHBondContact O-N 3.23Å; T601-C635 WeakPolarHBondContact O-CA 3.46Å; T601-C635 PolarHBondContact O-SG 3.33Å; T601-L651 WeakPolarHBondContact O-CD1 3.16Å; T601-P652 HydrophobicContact CG2-CB 4.11Å; T601-P652 HydrophobicContact CG2-CG 3.99Å; T601-G653 PolarHBondContact OG1-N 2.87Å |
| 602 | V | 90.4 | Very high | 76.5 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -126.4 | 129.1 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 109 | H533 I604 L651 H654 | H533-V602 HydrophobicContact CB-CG1 4.22Å; V602-I604 PolarHBondContact O-N 3.22Å; V602-L651 HydrophobicContact CG2-CB 4.06Å; V602-L651 HydrophobicContact CG2-CD1 4Å; V602-H654 WeakPolarHBondContact CG1-NE2 3.31Å |
| 603 | A | 92.4 | Very high | 78.1 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | trans | -80.7 | 113 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W606 W634 C635 C636 | A603-W606 PolarHBondContact O-NE1 3.3Å; A603-W606 VanDerWaalsContact O-NE1 3.16Å; A603-W634 PolarHBondContact N-O 2.78Å; A603-C635 PolarHBondContact N-O 3.1Å; A603-C636 VanDerWaalsContact CB-C 3.46Å | ||
| 604 | I | 90.1 | Very high | 79.9 | Confident | 111 Ų | 111 | 70 Ų | 70 | 57% | 0.569 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -70.7 | -37.9 | 174.8 | -60.3 | 174.6 | 0 | 0 | 0 | 111.1 | Q526 L530 V602 | Q526-I604 PolarHBondContact NE2-O 3.35Å; L530-I604 HydrophobicContact CD2-CG2 4.35Å; V602-I604 PolarHBondContact O-N 3.22Å |
| 605 | R | 89.1 | Confident | 81.5 | Confident | 220 Ų | 220 | 68.9 Ų | 68.9 | 83% | 0.83 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -112.9 | 130.9 | 178.2 | -66.4 | -174.4 | -179.9 | -178.5 | 0.3 | 110.1 | ||
| 606 | W | 93.4 | Very high | 83.3 | Confident | 24 Ų | 24 | 66 Ų | 66 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -107.4 | 144.7 | 175.5 | -71.4 | 24.1 | 0 | 0 | 0 | 109.5 | Q525 Q526 A603 H632 W634 G637 | Q525-W606 HydrophobicContact CB-CH2 3.68Å; Q525-W606 HydrophobicContact CB-CZ3 3.82Å; Q526-W606 HydrophobicContact CB-CD2 3.96Å; Q526-W606 HydrophobicContact CB-CE3 4.04Å; Q526-W606 HydrophobicContact CB-CG 4.42Å; Q526-W606 HydrophobicContact CB-CZ2 4.46Å; Q526-W606 HydrophobicContact CB-CZ3 4.34Å; Q526-W606 HydrophobicContact CG-CD2 4.02Å; Q526-W606 HydrophobicContact CG-CG 4.01Å; A603-W606 PolarHBondContact O-NE1 3.3Å; A603-W606 VanDerWaalsContact O-NE1 3.16Å; W606-H632 HydrophobicContact CD2-CB 4.09Å; W606-H632 HydrophobicContact CE3-CB 3.49Å; W606-H632 VanDerWaalsContact CE3-CB 3.49Å; W606-H632 AromaticContact CE3-CD2 3.53Å; W606-H632 AromaticContact CE3-CE1 3.77Å; W606-H632 AromaticContact CE3-CG 3.23Å; W606-H632 AromaticContact CE3-ND1 3.46Å; W606-H632 AromaticContact CE3-NE2 3.86Å; W606-H632 HydrophobicContact CH2-CB 3.95Å; W606-H632 HydrophobicContact CZ3-CB 3.4Å; W606-H632 VanDerWaalsContact CZ3-CB 3.4Å; W606-H632 AromaticContact CZ3-CG 3.54Å; W606-H632 AromaticContact CZ3-ND1 3.6Å; W606-W634 AromaticContact CH2-CD1 3.57Å; W606-W634 HydrophobicContact CH2-CD2 4.08Å; W606-W634 AromaticContact CH2-CE2 3.79Å; W606-W634 AromaticContact CH2-CG 3.98Å; W606-W634 HydrophobicContact CH2-CG 3.98Å; W606-W634 HydrophobicContact CH2-CZ2 4.47Å; W606-W634 AromaticContact CH2-NE1 3.43Å; W606-W634 HydrophobicContact CZ2-CB 4.27Å; W606-W634 AromaticContact CZ2-CD1 3.8Å; W606-W634 HydrophobicContact CZ2-CD2 4.04Å; W606-W634 AromaticContact CZ2-CG 3.79Å; W606-W634 HydrophobicContact CZ2-CG 3.79Å; W606-G637 WeakPolarHBondContact CA-O 3.41Å | ||
| 607 | T | 92.4 | Very high | 85.1 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | trans | -62.6 | 137 | 170.3 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | V609 H632 G637 V639 | T607-V609 PolarHBondContact O-N 2.71Å; T607-H632 PolarHBondContact O-NE2 2.62Å; T607-G637 PolarHBondContact N-O 3.26Å; T607-V639 HydrophobicContact CG2-CG2 4.35Å | ||
| 608 | V | 88.9 | Confident | 86.6 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | trans | -64.9 | 126.5 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | S610 E611 A612 | V608-S610 VanDerWaalsContact C-N 3.26Å; V608-S610 WeakPolarHBondContact CG1-OG 3.48Å; V608-S610 PolarHBondContact O-N 2.8Å; V608-E611 HydrophobicContact CB-CB 4.25Å; V608-E611 HydrophobicContact CB-CG 3.9Å; V608-E611 HydrophobicContact CG1-CG 4.26Å; V608-E611 PolarHBondContact O-N 3.35Å; V608-E611 VanDerWaalsContact O-N 3.09Å; V608-A612 PolarHBondContact O-N 3.32Å | ||
| 609 | V | 86.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -41.1 | -174.9 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | A522 T607 E611 A612 K630 H632 | A522-V609 HydrophobicContact CB-CG2 3.59Å; T607-V609 PolarHBondContact O-N 2.71Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.16Å; V609-A612 PolarHBondContact O-N 3.5Å; V609-K630 HydrophobicContact CG1-CB 4.31Å; V609-K630 HydrophobicContact CG1-CD 3.86Å; V609-K630 HydrophobicContact CG1-CG 4.28Å; V609-K630 WeakPolarHBondContact O-CD 3.37Å; V609-K630 PolarHBondContact O-NZ 3.48Å; V609-H632 WeakPolarHBondContact CG2-CE1 3.45Å |
| 610 | S | 81.6 | Confident | 89 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -27.5 | -178.5 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | D514 V608 | D514-S610 WeakPolarHBondContact OD2-CA 3.2Å; D514-S610 WeakPolarHBondContact OD2-CB 3.36Å; V608-S610 VanDerWaalsContact C-N 3.26Å; V608-S610 WeakPolarHBondContact CG1-OG 3.48Å; V608-S610 PolarHBondContact O-N 2.8Å |
| 611 | E | 85.8 | Confident | 89.8 | Confident | 143 Ų | 143 | 66.8 Ų | 66.8 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -20.3 | 177.4 | -63.3 | 176.1 | 178.3 | 0 | 0 | 112.4 | V608 V609 S613 | V608-E611 HydrophobicContact CB-CB 4.25Å; V608-E611 HydrophobicContact CB-CG 3.9Å; V608-E611 HydrophobicContact CG1-CG 4.26Å; V608-E611 PolarHBondContact O-N 3.35Å; V608-E611 VanDerWaalsContact O-N 3.09Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.16Å; E611-S613 PolarHBondContact O-N 3.12Å |
| 612 | A | 88.7 | Confident | 89.8 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -78.1 | 104.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V608 V609 F624 K630 V639 | V608-A612 PolarHBondContact O-N 3.32Å; V609-A612 PolarHBondContact O-N 3.5Å; A612-F624 HydrophobicContact CB-CE2 4.28Å; A612-F624 WeakPolarHBondContact O-CD2 3.19Å; A612-K630 HydrophobicContact CB-CD 4.32Å; A612-K630 WeakPolarHBondContact O-CE 3.24Å; A612-K630 PolarHBondContact O-NZ 2.78Å; A612-V639 HydrophobicContact CB-CB 3.68Å; A612-V639 HydrophobicContact CB-CG1 3.69Å; A612-V639 HydrophobicContact CB-CG2 3.92Å | ||
| 613 | S | 87 | Confident | 89.5 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | trans | -92.6 | -17.4 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | E611 A623 F624 | E611-S613 PolarHBondContact O-N 3.12Å; S613-A623 WeakPolarHBondContact O-CA 3.24Å; S613-F624 PolarHBondContact O-N 2.79Å | ||
| 614 | R | 91.9 | Very high | 89 | Confident | 117 Ų | 117 | 70.1 Ų | 70.1 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -142.1 | 156 | -177.2 | -49.7 | -175.1 | 73.6 | 94.3 | -2.3 | 112.4 | S616 N621 A622 A623 F624 | R614-S616 PolarHBondContact O-N 2.82Å; R614-N621 WeakPolarHBondContact CD-OD1 3.39Å; R614-N621 PolarHBondContact NE-O 2.84Å; R614-N621 PolarHBondContact NE-OD1 2.93Å; R614-N621 PolarHBondContact NH2-O 2.8Å; R614-A622 CarbonylContact C-O 3.59Å; R614-A622 VanDerWaalsContact CA-O 3.24Å; R614-A622 WeakPolarHBondContact CA-O 3.31Å; R614-A623 HydrophobicContact CG-CB 4.49Å; R614-F624 WeakPolarHBondContact O-CE2 3.42Å |
| 615 | C | 93.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | trans | -61.9 | 128.9 | 173.1 | -179 | 0 | 0 | 0 | 0 | 111.1 | N617 A622 F624 C641 | C615-N617 PolarHBondContact O-N 2.87Å; C615-A622 PolarHBondContact N-O 3.39Å; C615-F624 HydrophobicContact CB-CE1 4.46Å; C615-F624 HydrophobicContact CB-CZ 4.21Å; C615-C641 HydrophobicContact CB-CB 4.46Å | ||
| 616 | S | 96.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.9 | -4.7 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | R614 A618 V639 | R614-S616 PolarHBondContact O-N 2.82Å; S616-A618 PolarHBondContact O-N 2.9Å; S616-V639 WeakPolarHBondContact CB-O 3.48Å; S616-V639 PolarHBondContact N-O 3.38Å; S616-V639 PolarHBondContact OG-N 2.84Å; S616-V639 PolarHBondContact OG-O 2.87Å |
| 617 | N | 94 | Very high | 85.8 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | trans | -76 | 113.6 | 171.1 | 178.5 | -10.3 | 0 | 0 | 0 | 108.9 | C615 Q619 C620 N621 F640 C644 | C615-N617 PolarHBondContact O-N 2.87Å; N617-Q619 PolarHBondContact O-N 3.09Å; N617-Q619 VanDerWaalsContact O-N 3.14Å; N617-Q619 PolarHBondContact OD1-N 3.47Å; N617-C620 HydrophobicContact CB-CB 4.02Å; N617-C620 CarbonylContact O-C 3.57Å; N617-C620 PolarHBondContact O-N 2.47Å; N617-N621 PolarHBondContact O-N 3.39Å; N617-F640 HydrophobicContact CB-CD1 4.06Å; N617-F640 HydrophobicContact CB-CE1 4.11Å; N617-C644 HydrophobicContact CB-CB 4.16Å; N617-C644 PolarHBondContact ND2-SG 2.97Å; N617-C644 VanDerWaalsContact ND2-SG 3.41Å | ||
| 618 | A | 90.9 | Very high | 85.1 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | S616 | S616-A618 PolarHBondContact O-N 2.9Š|
| 619 | Q | 90.4 | Very high | 84.9 | Confident | 175 Ų | 175 | 58.8 Ų | 58.8 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -26.5 | 177.3 | -67 | 179.5 | -15.8 | 0 | 0 | 112.9 | N617 | N617-Q619 PolarHBondContact O-N 3.09Å; N617-Q619 VanDerWaalsContact O-N 3.14Å; N617-Q619 PolarHBondContact OD1-N 3.47Å |
| 620 | C | 89 | Confident | 85.1 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -59.6 | 176.5 | 176 | 0 | 0 | 0 | 0 | 109.9 | N617 A622 | N617-C620 HydrophobicContact CB-CB 4.02Å; N617-C620 CarbonylContact O-C 3.57Å; N617-C620 PolarHBondContact O-N 2.47Å; C620-A622 PolarHBondContact O-N 2.84Å |
| 621 | N | 90 | Very high | 85.5 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | trans | 43.2 | 26.4 | -177.8 | -167.2 | 22.5 | 0 | 0 | 0 | 113.3 | R614 N617 | R614-N621 WeakPolarHBondContact CD-OD1 3.39Å; R614-N621 PolarHBondContact NE-O 2.84Å; R614-N621 PolarHBondContact NE-OD1 2.93Å; R614-N621 PolarHBondContact NH2-O 2.8Å; N617-N621 PolarHBondContact O-N 3.39Å | ||
| 622 | A | 84.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 51 Ų | 51 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 139 | -176 | 0 | 0 | 0 | 0 | 0 | 109.6 | R614 C615 C620 | R614-A622 CarbonylContact C-O 3.59Å; R614-A622 VanDerWaalsContact CA-O 3.24Å; R614-A622 WeakPolarHBondContact CA-O 3.31Å; C615-A622 PolarHBondContact N-O 3.39Å; C620-A622 PolarHBondContact O-N 2.84Å |
| 623 | A | 84 | Confident | 86.2 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 136.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S613 R614 | S613-A623 WeakPolarHBondContact O-CA 3.24Å; R614-A623 HydrophobicContact CG-CB 4.49Å |
| 624 | F | 82 | Confident | 86.6 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 139.6 | 174.5 | -66.9 | -61.6 | 0 | 0 | 0 | 110.5 | A612 S613 R614 C615 E628 K630 V639 C641 | A612-F624 HydrophobicContact CB-CE2 4.28Å; A612-F624 WeakPolarHBondContact O-CD2 3.19Å; S613-F624 PolarHBondContact O-N 2.79Å; R614-F624 WeakPolarHBondContact O-CE2 3.42Å; C615-F624 HydrophobicContact CB-CE1 4.46Å; C615-F624 HydrophobicContact CB-CZ 4.21Å; F624-E628 WeakPolarHBondContact CA-OE2 3.43Å; F624-K630 HydrophobicContact CD1-CG 4.19Å; F624-K630 HydrophobicContact CD2-CD 3.72Å; F624-K630 HydrophobicContact CD2-CG 4.14Å; F624-K630 HydrophobicContact CE1-CB 4.43Å; F624-K630 HydrophobicContact CE1-CG 4.33Å; F624-K630 HydrophobicContact CE2-CD 3.98Å; F624-K630 HydrophobicContact CE2-CG 4.28Å; F624-K630 HydrophobicContact CG-CD 4.07Å; F624-K630 HydrophobicContact CG-CG 4.09Å; F624-K630 HydrophobicContact CZ-CB 4.32Å; F624-K630 HydrophobicContact CZ-CG 4.39Å; F624-V639 HydrophobicContact CE2-CG1 3.79Å; F624-V639 HydrophobicContact CZ-CG1 3.8Å; F624-C641 HydrophobicContact CE1-CB 3.95Å |
| 625 | W | 71.2 | Confident | 86.7 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 33% | 0.326 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -69.8 | 145.5 | 166.9 | -63.3 | 95.3 | 0 | 0 | 0 | 109.5 | W16 R26 K45 G627 E628 | W16-W625 HydrophobicContact CH2-CZ3 4.41Å; W16-W625 HydrophobicContact CZ3-CH2 4.35Å; R26-W625 VanDerWaalsContact NH1-CH2 3.34Å; K45-W625 HydrophobicContact CB-CZ2 4.43Å; K45-W625 HydrophobicContact CD-CH2 4.28Å; K45-W625 HydrophobicContact CD-CZ2 4.49Å; W625-G627 PolarHBondContact O-N 2.9Å; W625-E628 HydrophobicContact CB-CB 4.18Å; W625-E628 PolarHBondContact N-OE2 2.65Å; W625-E628 WeakPolarHBondContact O-CB 3.45Å; W625-E628 PolarHBondContact O-N 3.45Å |
| 626 | P | 67.2 | Low | 86.7 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 135.4 | 170.9 | -28 | 36.8 | 0 | 0 | 0 | 109.6 | I509 R512 E628 | I509-P626 HydrophobicContact CG2-CG 4.27Å; R512-P626 HydrophobicContact CB-CB 3.88Å; R512-P626 WeakPolarHBondContact CD-O 3.28Å; R512-P626 HydrophobicContact CG-CB 4.28Å; R512-P626 PolarHBondContact NE-O 3.33Å; R512-P626 PolarHBondContact NH1-O 3.1Å; P626-E628 PolarHBondContact O-N 2.93Å; P626-E628 VanDerWaalsContact O-N 3.1Å |
| 627 | G | 67.3 | Low | 86.7 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117 | W625 Y629 | W625-G627 PolarHBondContact O-N 2.9Å; G627-Y629 PolarHBondContact O-N 3.39Å |
| 628 | E | 77.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 134.8 | 167.8 | -172.3 | 178.3 | 160.7 | 0 | 0 | 109.5 | F624 W625 P626 K630 | F624-E628 WeakPolarHBondContact CA-OE2 3.43Å; W625-E628 HydrophobicContact CB-CB 4.18Å; W625-E628 PolarHBondContact N-OE2 2.65Å; W625-E628 WeakPolarHBondContact O-CB 3.45Å; W625-E628 PolarHBondContact O-N 3.45Å; P626-E628 PolarHBondContact O-N 2.93Å; P626-E628 VanDerWaalsContact O-N 3.1Å; E628-K630 PolarHBondContact O-N 2.9Å |
| 629 | Y | 84.8 | Confident | 87 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 120.8 | 174.1 | -178 | -111.8 | 0 | 0 | 0 | 109.1 | E473 N518 I521 Q525 G627 H631 | E473-Y629 HydrophobicContact CB-CD1 3.8Å; E473-Y629 HydrophobicContact CB-CE1 3.54Å; E473-Y629 HydrophobicContact CB-CG 4.42Å; N518-Y629 WeakPolarHBondContact OD1-CD2 3.35Å; I521-Y629 HydrophobicContact CD1-CE2 4.49Å; I521-Y629 HydrophobicContact CG2-CE2 4.13Å; I521-Y629 WeakPolarHBondContact CG2-OH 3.33Å; Q525-Y629 PolarHBondContact NE2-OH 2.99Å; G627-Y629 PolarHBondContact O-N 3.39Å; Y629-H631 AromaticContact CD1-CD2 3.92Å; Y629-H631 AromaticContact CD1-CE1 3.46Å; Y629-H631 VanDerWaalsContact CD1-CE1 3.46Å; Y629-H631 WeakPolarHBondContact CD1-CE1 3.42Å; Y629-H631 AromaticContact CD1-ND1 3.91Å; Y629-H631 AromaticContact CD1-NE2 3.49Å; Y629-H631 WeakPolarHBondContact CD1-NE2 3.37Å; Y629-H631 AromaticContact CE1-CE1 3.5Å; Y629-H631 VanDerWaalsContact CE1-CE1 3.5Å; Y629-H631 WeakPolarHBondContact CE1-CE1 3.23Å; Y629-H631 AromaticContact CE1-ND1 3.56Å; Y629-H631 AromaticContact CE1-NE2 3.96Å |
| 630 | K | 88.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 31 Ų | 31 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -98.3 | 134.4 | -179.4 | -40.9 | 178.2 | -171.8 | 160.7 | 0 | 108.7 | D514 V609 A612 F624 E628 V639 | D514-K630 IonicContact OD1-NZ 3.49Å; V609-K630 HydrophobicContact CG1-CB 4.31Å; V609-K630 HydrophobicContact CG1-CD 3.86Å; V609-K630 HydrophobicContact CG1-CG 4.28Å; V609-K630 WeakPolarHBondContact O-CD 3.37Å; V609-K630 PolarHBondContact O-NZ 3.48Å; A612-K630 HydrophobicContact CB-CD 4.32Å; A612-K630 WeakPolarHBondContact O-CE 3.24Å; A612-K630 PolarHBondContact O-NZ 2.78Å; F624-K630 HydrophobicContact CD1-CG 4.19Å; F624-K630 HydrophobicContact CD2-CD 3.72Å; F624-K630 HydrophobicContact CD2-CG 4.14Å; F624-K630 HydrophobicContact CE1-CB 4.43Å; F624-K630 HydrophobicContact CE1-CG 4.33Å; F624-K630 HydrophobicContact CE2-CD 3.98Å; F624-K630 HydrophobicContact CE2-CG 4.28Å; F624-K630 HydrophobicContact CG-CD 4.07Å; F624-K630 HydrophobicContact CG-CG 4.09Å; F624-K630 HydrophobicContact CZ-CB 4.32Å; F624-K630 HydrophobicContact CZ-CG 4.39Å; E628-K630 PolarHBondContact O-N 2.9Å; K630-V639 HydrophobicContact CB-CG1 3.34Å; K630-V639 HydrophobicContact CD-CG1 4.07Å; K630-V639 HydrophobicContact CG-CG1 4.25Å |
| 631 | H | 91.4 | Very high | 87.2 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.9 | -174 | -63.3 | -102.9 | 0 | 0 | 0 | 110.8 | E473 Y629 V639 F640 S642 A645 | E473-H631 IonicContact OE2-CE1 2.95Å; E473-H631 IonicContact OE2-NE2 3.14Å; Y629-H631 AromaticContact CD1-CD2 3.92Å; Y629-H631 AromaticContact CD1-CE1 3.46Å; Y629-H631 VanDerWaalsContact CD1-CE1 3.46Å; Y629-H631 WeakPolarHBondContact CD1-CE1 3.42Å; Y629-H631 AromaticContact CD1-ND1 3.91Å; Y629-H631 AromaticContact CD1-NE2 3.49Å; Y629-H631 WeakPolarHBondContact CD1-NE2 3.37Å; Y629-H631 AromaticContact CE1-CE1 3.5Å; Y629-H631 VanDerWaalsContact CE1-CE1 3.5Å; Y629-H631 WeakPolarHBondContact CE1-CE1 3.23Å; Y629-H631 AromaticContact CE1-ND1 3.56Å; Y629-H631 AromaticContact CE1-NE2 3.96Å; H631-V639 CarbonylContact O-C 3.53Å; H631-V639 WeakPolarHBondContact O-CA 3.06Å; H631-F640 PolarHBondContact N-O 2.95Å; H631-F640 PolarHBondContact O-N 3.32Å; H631-S642 PolarHBondContact CD2-N 2.84Å; H631-S642 WeakPolarHBondContact NE2-CA 3.5Å; H631-S642 WeakPolarHBondContact NE2-CB 3.5Å; H631-A645 HydrophobicContact CB-CB 3.58Å |
| 632 | H | 94.2 | Very high | 86.9 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.6 | 168.1 | -68.1 | 96 | 0 | 0 | 0 | 111.6 | W606 T607 V609 G637 L638 V639 | W606-H632 HydrophobicContact CD2-CB 4.09Å; W606-H632 HydrophobicContact CE3-CB 3.49Å; W606-H632 VanDerWaalsContact CE3-CB 3.49Å; W606-H632 AromaticContact CE3-CD2 3.53Å; W606-H632 AromaticContact CE3-CE1 3.77Å; W606-H632 AromaticContact CE3-CG 3.23Å; W606-H632 AromaticContact CE3-ND1 3.46Å; W606-H632 AromaticContact CE3-NE2 3.86Å; W606-H632 HydrophobicContact CH2-CB 3.95Å; W606-H632 HydrophobicContact CZ3-CB 3.4Å; W606-H632 VanDerWaalsContact CZ3-CB 3.4Å; W606-H632 AromaticContact CZ3-CG 3.54Å; W606-H632 AromaticContact CZ3-ND1 3.6Å; T607-H632 PolarHBondContact O-NE2 2.62Å; V609-H632 WeakPolarHBondContact CG2-CE1 3.45Å; H632-G637 PolarHBondContact CD2-O 3.15Å; H632-L638 WeakPolarHBondContact CA-O 3.43Å; H632-V639 WeakPolarHBondContact NE2-CG2 3.3Å |
| 633 | C | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -80 | 119.9 | 160.1 | 173.7 | 0 | 0 | 0 | 0 | 109 | C635 C636 G637 L638 F640 C665 C668 | C633-C635 PolarHBondContact O-N 3Å; C633-C635 VanDerWaalsContact O-N 3.16Å; C633-C635 PolarHBondContact SG-N 2.95Å; C633-C636 VanDerWaalsContact CB-SG 3.58Å; C633-C636 PolarHBondContact O-N 2.7Å; C633-C636 VanDerWaalsContact SG-SG 3.66Å; C633-G637 WeakPolarHBondContact O-CA 3.38Å; C633-G637 PolarHBondContact O-N 3.49Å; C633-L638 PolarHBondContact N-O 3.05Å; C633-F640 HydrophobicContact CB-CD2 4.03Å; C633-F640 HydrophobicContact CB-CE2 3.63Å; C633-C665 HydrophobicContact CB-CB 4Å; C633-C665 PolarHBondContact SG-N 3.45Å; C633-C668 VanDerWaalsContact SG-SG 3.67Å |
| 634 | W | 94.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.3 | -178.2 | -70.5 | 38.5 | 0 | 0 | 0 | 112.9 | Q525 D528 A603 W606 L651 H654 V662 P663 | Q525-W634 HydrophobicContact CB-CH2 4.38Å; Q525-W634 HydrophobicContact CB-CZ2 3.66Å; Q525-W634 HydrophobicContact CG-CZ2 3.87Å; D528-W634 HydrophobicContact CB-CH2 4.32Å; A603-W634 PolarHBondContact N-O 2.78Å; W606-W634 AromaticContact CH2-CD1 3.57Å; W606-W634 HydrophobicContact CH2-CD2 4.08Å; W606-W634 AromaticContact CH2-CE2 3.79Å; W606-W634 AromaticContact CH2-CG 3.98Å; W606-W634 HydrophobicContact CH2-CG 3.98Å; W606-W634 HydrophobicContact CH2-CZ2 4.47Å; W606-W634 AromaticContact CH2-NE1 3.43Å; W606-W634 HydrophobicContact CZ2-CB 4.27Å; W606-W634 AromaticContact CZ2-CD1 3.8Å; W606-W634 HydrophobicContact CZ2-CD2 4.04Å; W606-W634 AromaticContact CZ2-CG 3.79Å; W606-W634 HydrophobicContact CZ2-CG 3.79Å; W634-L651 HydrophobicContact CB-CD1 3.79Å; W634-H654 AromaticContact CE3-CE1 3.91Å; W634-V662 HydrophobicContact CB-CB 4.32Å; W634-V662 HydrophobicContact CB-CG2 3.82Å; W634-V662 HydrophobicContact CD2-CB 3.64Å; W634-V662 HydrophobicContact CD2-CG1 3.93Å; W634-V662 HydrophobicContact CD2-CG2 4Å; W634-V662 HydrophobicContact CE3-CB 3.64Å; W634-V662 HydrophobicContact CE3-CG1 3.46Å; W634-V662 VanDerWaalsContact CE3-CG1 3.46Å; W634-V662 HydrophobicContact CE3-CG2 3.88Å; W634-V662 HydrophobicContact CG-CB 3.96Å; W634-V662 HydrophobicContact CG-CG2 4.02Å; W634-V662 HydrophobicContact CH2-CG1 4.05Å; W634-V662 HydrophobicContact CZ2-CG1 4.43Å; W634-V662 HydrophobicContact CZ3-CB 4.21Å; W634-V662 HydrophobicContact CZ3-CG1 3.54Å; W634-P663 PolarHBondContact N-O 2.92Å |
| 635 | C | 94.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -42 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | T601 A603 C633 L651 V664 C668 | T601-C635 WeakPolarHBondContact O-CA 3.46Å; T601-C635 PolarHBondContact O-SG 3.33Å; A603-C635 PolarHBondContact N-O 3.1Å; C633-C635 PolarHBondContact O-N 3Å; C633-C635 VanDerWaalsContact O-N 3.16Å; C633-C635 PolarHBondContact SG-N 2.95Å; C635-L651 HydrophobicContact CB-CD2 3.98Å; C635-V664 HydrophobicContact CB-CG1 4.1Å; C635-C668 HydrophobicContact CB-CB 3.72Å |
| 636 | C | 94.8 | Very high | 88.1 | Confident | 49 Ų | 49 | 29.4 Ų | 29.4 | 33% | 0.331 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -9 | -178.2 | 70 | 0 | 0 | 0 | 0 | 115.7 | A603 C633 L638 | A603-C636 VanDerWaalsContact CB-C 3.46Å; C633-C636 VanDerWaalsContact CB-SG 3.58Å; C633-C636 PolarHBondContact O-N 2.7Å; C633-C636 VanDerWaalsContact SG-SG 3.66Å; C636-L638 PolarHBondContact O-N 2.94Å |
| 637 | G | 94.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | 75.5 | 0.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W606 T607 H632 C633 | W606-G637 WeakPolarHBondContact CA-O 3.41Å; T607-G637 PolarHBondContact N-O 3.26Å; H632-G637 PolarHBondContact CD2-O 3.15Å; C633-G637 WeakPolarHBondContact O-CA 3.38Å; C633-G637 PolarHBondContact O-N 3.49Å | ||
| 638 | L | 95.9 | Very high | 90.2 | Very high | 74 Ų | 74 | 35 Ų | 35 | 39% | 0.387 | 19% | 0.186 | S | C | . | . | trans | -81.4 | 160 | 178.4 | -60.4 | 177.9 | 0 | 0 | 0 | 111.9 | H632 C633 C636 F640 | H632-L638 WeakPolarHBondContact CA-O 3.43Å; C633-L638 PolarHBondContact N-O 3.05Å; C636-L638 PolarHBondContact O-N 2.94Å; L638-F640 HydrophobicContact CB-CE2 3.63Å; L638-F640 HydrophobicContact CB-CZ 3.93Å; L638-F640 VanDerWaalsContact O-CD2 3.29Å; L638-F640 WeakPolarHBondContact O-CD2 3.39Å; L638-F640 VanDerWaalsContact O-CE2 3.31Å; L638-F640 WeakPolarHBondContact O-CE2 3.36Å | ||
| 639 | V | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.8 | -174.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | T607 A612 S616 F624 K630 H631 H632 | T607-V639 HydrophobicContact CG2-CG2 4.35Å; A612-V639 HydrophobicContact CB-CB 3.68Å; A612-V639 HydrophobicContact CB-CG1 3.69Å; A612-V639 HydrophobicContact CB-CG2 3.92Å; S616-V639 WeakPolarHBondContact CB-O 3.48Å; S616-V639 PolarHBondContact N-O 3.38Å; S616-V639 PolarHBondContact OG-N 2.84Å; S616-V639 PolarHBondContact OG-O 2.87Å; F624-V639 HydrophobicContact CE2-CG1 3.79Å; F624-V639 HydrophobicContact CZ-CG1 3.8Å; K630-V639 HydrophobicContact CB-CG1 3.34Å; K630-V639 HydrophobicContact CD-CG1 4.07Å; K630-V639 HydrophobicContact CG-CG1 4.25Å; H631-V639 CarbonylContact O-C 3.53Å; H631-V639 WeakPolarHBondContact O-CA 3.06Å; H632-V639 WeakPolarHBondContact NE2-CG2 3.3Å |
| 640 | F | 94.6 | Very high | 91 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 159.7 | -174 | -61.4 | -91.2 | 0 | 0 | 0 | 111.5 | N617 H631 C633 L638 C644 A645 C665 | N617-F640 HydrophobicContact CB-CD1 4.06Å; N617-F640 HydrophobicContact CB-CE1 4.11Å; H631-F640 PolarHBondContact N-O 2.95Å; H631-F640 PolarHBondContact O-N 3.32Å; C633-F640 HydrophobicContact CB-CD2 4.03Å; C633-F640 HydrophobicContact CB-CE2 3.63Å; L638-F640 HydrophobicContact CB-CE2 3.63Å; L638-F640 HydrophobicContact CB-CZ 3.93Å; L638-F640 VanDerWaalsContact O-CD2 3.29Å; L638-F640 WeakPolarHBondContact O-CD2 3.39Å; L638-F640 VanDerWaalsContact O-CE2 3.31Å; L638-F640 WeakPolarHBondContact O-CE2 3.36Å; F640-C644 HydrophobicContact CB-CB 4Å; F640-C644 HydrophobicContact CD1-CB 4Å; F640-C644 HydrophobicContact CG-CB 4.42Å; F640-A645 HydrophobicContact CB-CB 3.84Å; F640-C665 HydrophobicContact CD1-CB 4.04Å; F640-C665 HydrophobicContact CD2-CB 3.91Å; F640-C665 HydrophobicContact CE1-CB 3.65Å; F640-C665 HydrophobicContact CE2-CB 3.51Å; F640-C665 HydrophobicContact CG-CB 4.17Å; F640-C665 HydrophobicContact CZ-CB 3.38Å |
| 641 | C | 89.5 | Confident | 91.1 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 8% | 0.081 | 19% | 0.185 | C | C | . | . | trans | -73.3 | 164 | 167 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | C615 F624 N643 C644 A645 | C615-C641 HydrophobicContact CB-CB 4.46Å; F624-C641 HydrophobicContact CE1-CB 3.95Å; C641-N643 VanDerWaalsContact C-N 3.25Å; C641-N643 PolarHBondContact O-N 3.14Å; C641-C644 PolarHBondContact O-N 3.13Å; C641-C644 VanDerWaalsContact SG-SG 3.65Å; C641-A645 PolarHBondContact O-N 3.24Å; C641-A645 VanDerWaalsContact O-N 3.09Å | ||
| 642 | S | 84.6 | Confident | 91 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 40% | 0.399 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -40.8 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | H631 S646 | H631-S642 PolarHBondContact CD2-N 2.84Å; H631-S642 WeakPolarHBondContact NE2-CA 3.5Å; H631-S642 WeakPolarHBondContact NE2-CB 3.5Å; S642-S646 PolarHBondContact O-N 3.25Å |
| 643 | N | 85 | Confident | 90.8 | Very high | 117 Ų | 117 | 33.3 Ų | 33.3 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.7 | 177.9 | -67.6 | -23.7 | 0 | 0 | 0 | 112.4 | C641 S646 | C641-N643 VanDerWaalsContact C-N 3.25Å; C641-N643 PolarHBondContact O-N 3.14Å; N643-S646 PolarHBondContact O-OG 3.42Å |
| 644 | C | 90.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 8% | 0.081 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.2 | -176.2 | -71.5 | 0 | 0 | 0 | 0 | 114.2 | N617 F640 C641 W647 C665 | N617-C644 HydrophobicContact CB-CB 4.16Å; N617-C644 PolarHBondContact ND2-SG 2.97Å; N617-C644 VanDerWaalsContact ND2-SG 3.41Å; F640-C644 HydrophobicContact CB-CB 4Å; F640-C644 HydrophobicContact CD1-CB 4Å; F640-C644 HydrophobicContact CG-CB 4.42Å; C641-C644 PolarHBondContact O-N 3.13Å; C641-C644 VanDerWaalsContact SG-SG 3.65Å; C644-W647 WeakPolarHBondContact O-CZ3 3.49Å; C644-C665 WeakPolarHBondContact O-CA 3.49Å |
| 645 | A | 87.9 | Confident | 90 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 31.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H631 F640 C641 W647 | H631-A645 HydrophobicContact CB-CB 3.58Å; F640-A645 HydrophobicContact CB-CB 3.84Å; C641-A645 PolarHBondContact O-N 3.24Å; C641-A645 VanDerWaalsContact O-N 3.09Å; A645-W647 VanDerWaalsContact C-N 3.33Å |
| 646 | S | 83.3 | Confident | 89.1 | Confident | 69 Ų | 69 | 39 Ų | 39 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | trans | -76 | -19.3 | -179.8 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | S642 N643 | S642-S646 PolarHBondContact O-N 3.25Å; N643-S646 PolarHBondContact O-OG 3.42Å | ||
| 647 | W | 88.6 | Confident | 88 | Confident | 83 Ų | 83 | 41.1 Ų | 41.1 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 146.2 | -179.7 | -61.8 | -90.5 | 0 | 0 | 0 | 112.1 | C644 A645 P663 V664 Q666 N669 | C644-W647 WeakPolarHBondContact O-CZ3 3.49Å; A645-W647 VanDerWaalsContact C-N 3.33Å; W647-P663 WeakPolarHBondContact O-CA 3.45Å; W647-V664 HydrophobicContact CB-CG2 3.96Å; W647-V664 PolarHBondContact O-N 2.93Å; W647-Q666 HydrophobicContact CD2-CB 4.48Å; W647-Q666 HydrophobicContact CE3-CB 3.99Å; W647-Q666 HydrophobicContact CH2-CB 3.62Å; W647-Q666 HydrophobicContact CH2-CG 3.75Å; W647-Q666 HydrophobicContact CZ2-CB 4.11Å; W647-Q666 HydrophobicContact CZ2-CG 3.82Å; W647-Q666 HydrophobicContact CZ3-CB 3.55Å; W647-Q666 HydrophobicContact CZ3-CG 4.19Å; W647-N669 HydrophobicContact CB-CB 4.04Å; W647-N669 VanDerWaalsContact CD1-ND2 3.35Å; W647-N669 HydrophobicContact CG-CB 4.14Å |
| 648 | K | 89 | Confident | 86.9 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.9 | 172.5 | -61.4 | -175.2 | -176.7 | 179.6 | 0 | 109.9 | R469 P661 V662 | R469-K648 PolarHBondContact O-NZ 3.31Å; K648-P661 HydrophobicContact CB-CB 3.86Å; K648-V662 VanDerWaalsContact CA-O 3.3Å; K648-V662 WeakPolarHBondContact CA-O 3.36Å |
| 649 | A | 90.2 | Very high | 86.1 | Confident | 13 Ų | 13 | 48 Ų | 48 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 149.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P661 V662 V664 L672 | A649-P661 WeakPolarHBondContact O-CA 3.42Å; A649-V662 PolarHBondContact N-O 3.06Å; A649-V662 WeakPolarHBondContact O-CG2 3.35Å; A649-V662 PolarHBondContact O-N 3.17Å; A649-V664 HydrophobicContact CB-CG1 4.4Å; A649-V664 HydrophobicContact CB-CG2 3.82Å; A649-L672 HydrophobicContact CB-CD1 3.78Å |
| 650 | V | 89.7 | Confident | 85.7 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | trans | -76.8 | 123.8 | 165.7 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | A659 P661 | V650-A659 HydrophobicContact CG1-CB 3.77Å; V650-P661 HydrophobicContact CG2-CG 4.1Å | ||
| 651 | L | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -79.6 | 131.6 | 177.4 | -56.8 | -176.7 | 0 | 0 | 0 | 108.9 | T601 V602 W634 C635 G653 H654 D655 V662 V664 L672 | T601-L651 WeakPolarHBondContact O-CD1 3.16Å; V602-L651 HydrophobicContact CG2-CB 4.06Å; V602-L651 HydrophobicContact CG2-CD1 4Å; W634-L651 HydrophobicContact CB-CD1 3.79Å; C635-L651 HydrophobicContact CB-CD2 3.98Å; L651-G653 PolarHBondContact O-N 3.15Å; L651-H654 HydrophobicContact CB-CB 4.35Å; L651-H654 CarbonylContact O-C 3.37Å; L651-H654 WeakPolarHBondContact O-CA 3.36Å; L651-H654 PolarHBondContact O-N 2.95Å; L651-D655 PolarHBondContact O-N 2.84Å; L651-V662 HydrophobicContact CD1-CG2 3.82Å; L651-V662 HydrophobicContact CD2-CG2 4.3Å; L651-V662 HydrophobicContact CG-CG2 3.68Å; L651-V664 HydrophobicContact CD2-CG1 3.79Å; L651-L672 HydrophobicContact CD2-CD1 3.6Å; L651-L672 HydrophobicContact CD2-CD2 4.44Å | ||
| 652 | P | 89.3 | Confident | 85.5 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -51.3 | -38.3 | 174.3 | -29.9 | 34 | 0 | 0 | 0 | 112.9 | F536 T601 H654 D655 L672 F675 | F536-P652 WeakPolarHBondContact CE2-O 3.31Å; F536-P652 WeakPolarHBondContact CZ-O 3.46Å; T601-P652 HydrophobicContact CG2-CB 4.11Å; T601-P652 HydrophobicContact CG2-CG 3.99Å; P652-H654 PolarHBondContact O-N 3.05Å; P652-H654 VanDerWaalsContact O-N 3.17Å; P652-D655 WeakPolarHBondContact O-CB 3.43Å; P652-D655 PolarHBondContact O-N 2.76Å; P652-D655 VanDerWaalsContact O-N 3.16Å; P652-L672 VanDerWaalsContact CD-CD2 3.48Å; P652-L672 HydrophobicContact CG-CD2 4.09Å; P652-F675 HydrophobicContact CB-CD1 4.47Å; P652-F675 HydrophobicContact CB-CE1 4.02Å; P652-F675 HydrophobicContact CG-CD1 3.79Å; P652-F675 HydrophobicContact CG-CE1 3.85Å |
| 653 | G | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -69.6 | -1.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H533 F536 T601 L651 | H533-G653 PolarHBondContact ND1-O 3.23Å; F536-G653 WeakPolarHBondContact CB-O 3.21Å; F536-G653 VanDerWaalsContact CD1-O 3.32Å; F536-G653 WeakPolarHBondContact CD1-O 3.36Å; F536-G653 WeakPolarHBondContact CG-O 3.48Å; T601-G653 PolarHBondContact OG1-N 2.87Å; L651-G653 PolarHBondContact O-N 3.15Å |
| 654 | H | 89.3 | Confident | 86.2 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -119 | 9.7 | 173.1 | -62.4 | 165.8 | 0 | 0 | 0 | 112.1 | S529 V602 W634 L651 P652 C656 A659 | S529-H654 PolarHBondContact O-NE2 2.82Å; S529-H654 PolarHBondContact OG-CE1 2.8Å; S529-H654 PolarHBondContact OG-NE2 2.82Å; S529-H654 VanDerWaalsContact OG-NE2 3.16Å; V602-H654 WeakPolarHBondContact CG1-NE2 3.31Å; W634-H654 AromaticContact CE3-CE1 3.91Å; L651-H654 HydrophobicContact CB-CB 4.35Å; L651-H654 CarbonylContact O-C 3.37Å; L651-H654 WeakPolarHBondContact O-CA 3.36Å; L651-H654 PolarHBondContact O-N 2.95Å; P652-H654 PolarHBondContact O-N 3.05Å; P652-H654 VanDerWaalsContact O-N 3.17Å; H654-C656 PolarHBondContact O-N 2.87Å; H654-A659 WeakPolarHBondContact O-CB 3.23Å |
| 655 | D | 82.5 | Confident | 86.4 | Confident | 106 Ų | 106 | 47.8 Ų | 47.8 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | trans | -72.2 | 80.6 | -175.9 | -170.2 | 24.9 | 0 | 0 | 0 | 110.9 | F536 L651 P652 | F536-D655 WeakPolarHBondContact CD2-O 3.25Å; F536-D655 HydrophobicContact CE2-CB 4.17Å; L651-D655 PolarHBondContact O-N 2.84Å; P652-D655 WeakPolarHBondContact O-CB 3.43Å; P652-D655 PolarHBondContact O-N 2.76Å; P652-D655 VanDerWaalsContact O-N 3.16Å | ||
| 656 | C | 76 | Confident | 86.5 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.135 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -124.8 | 175.6 | 175.4 | 69.3 | 0 | 0 | 0 | 0 | 109.4 | H654 F658 A659 | H654-C656 PolarHBondContact O-N 2.87Å; C656-F658 PolarHBondContact O-N 2.98Å; C656-A659 VanDerWaalsContact O-CB 3.28Å; C656-A659 WeakPolarHBondContact O-CB 3.47Å; C656-A659 PolarHBondContact O-N 2.85Å |
| 657 | A | 72.7 | Confident | 87 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 77% | 0.769 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -19.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 658 | F | 70.2 | Confident | 87.2 | Confident | 186 Ų | 186 | 53.3 Ų | 53.3 | 82% | 0.816 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 21.6 | -179.9 | -53 | -74.1 | 0 | 0 | 0 | 113.3 | C656 R660 | C656-F658 PolarHBondContact O-N 2.98Å; F658-R660 PolarHBondContact O-N 3.1Å |
| 659 | A | 79.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -57.3 | 124.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | V650 H654 C656 | V650-A659 HydrophobicContact CG1-CB 3.77Å; H654-A659 WeakPolarHBondContact O-CB 3.23Å; C656-A659 VanDerWaalsContact O-CB 3.28Å; C656-A659 WeakPolarHBondContact O-CB 3.47Å; C656-A659 PolarHBondContact O-N 2.85Å | ||
| 660 | R | 86.2 | Confident | 87.4 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | trans | -118.8 | 147.7 | 178.6 | 69.6 | -179.8 | -176.1 | 143.6 | 1.8 | 111.3 | E472 F658 V662 | E472-R660 VanDerWaalsContact CD-NH1 3.31Å; E472-R660 IonicContact OE1-CZ 2.65Å; E472-R660 IonicContact OE1-NH1 3.55Å; E472-R660 PolarHBondContact OE1-NH1 2.89Å; E472-R660 IonicContact OE2-CZ 3.56Å; E472-R660 IonicContact OE2-NH1 3.51Å; E472-R660 PolarHBondContact OE2-NH1 3.26Å; E472-R660 VanDerWaalsContact OE2-NH1 3.12Å; E472-R660 IonicContact OE2-NH2 2.69Å; E472-R660 PolarHBondContact OE2-NH2 3.43Å; E472-R660 VanDerWaalsContact OE2-NH2 3.13Å; F658-R660 PolarHBondContact O-N 3.1Å; R660-V662 HydrophobicContact CG-CG1 4.07Å; R660-V662 PolarHBondContact O-N 2.85Å | ||
| 661 | P | 89.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | trans | -62.5 | 128.4 | 169.6 | -21.3 | 32.8 | 0 | 0 | 0 | 111 | K648 A649 V650 | K648-P661 HydrophobicContact CB-CB 3.86Å; A649-P661 WeakPolarHBondContact O-CA 3.42Å; V650-P661 HydrophobicContact CG2-CG 4.1Å | ||
| 662 | V | 90.7 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.5 | -178.9 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | W634 K648 A649 L651 R660 V664 | W634-V662 HydrophobicContact CB-CB 4.32Å; W634-V662 HydrophobicContact CB-CG2 3.82Å; W634-V662 HydrophobicContact CD2-CB 3.64Å; W634-V662 HydrophobicContact CD2-CG1 3.93Å; W634-V662 HydrophobicContact CD2-CG2 4Å; W634-V662 HydrophobicContact CE3-CB 3.64Å; W634-V662 HydrophobicContact CE3-CG1 3.46Å; W634-V662 VanDerWaalsContact CE3-CG1 3.46Å; W634-V662 HydrophobicContact CE3-CG2 3.88Å; W634-V662 HydrophobicContact CG-CB 3.96Å; W634-V662 HydrophobicContact CG-CG2 4.02Å; W634-V662 HydrophobicContact CH2-CG1 4.05Å; W634-V662 HydrophobicContact CZ2-CG1 4.43Å; W634-V662 HydrophobicContact CZ3-CB 4.21Å; W634-V662 HydrophobicContact CZ3-CG1 3.54Å; K648-V662 VanDerWaalsContact CA-O 3.3Å; K648-V662 WeakPolarHBondContact CA-O 3.36Å; A649-V662 PolarHBondContact N-O 3.06Å; A649-V662 WeakPolarHBondContact O-CG2 3.35Å; A649-V662 PolarHBondContact O-N 3.17Å; L651-V662 HydrophobicContact CD1-CG2 3.82Å; L651-V662 HydrophobicContact CD2-CG2 4.3Å; L651-V662 HydrophobicContact CG-CG2 3.68Å; R660-V662 HydrophobicContact CG-CG1 4.07Å; R660-V662 PolarHBondContact O-N 2.85Å; V662-V664 PolarHBondContact O-N 2.93Å |
| 663 | P | 90.7 | Very high | 87.1 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 129 | -179.7 | -24.7 | 34.6 | 0 | 0 | 0 | 113.3 | W634 W647 | W634-P663 PolarHBondContact N-O 2.92Å; W647-P663 WeakPolarHBondContact O-CA 3.45Å |
| 664 | V | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.2 | 174.9 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | C635 W647 A649 L651 V662 C668 N669 L672 | C635-V664 HydrophobicContact CB-CG1 4.1Å; W647-V664 HydrophobicContact CB-CG2 3.96Å; W647-V664 PolarHBondContact O-N 2.93Å; A649-V664 HydrophobicContact CB-CG1 4.4Å; A649-V664 HydrophobicContact CB-CG2 3.82Å; L651-V664 HydrophobicContact CD2-CG1 3.79Å; V662-V664 PolarHBondContact O-N 2.93Å; V664-C668 HydrophobicContact CB-CB 4.32Å; V664-N669 HydrophobicContact CG2-CB 3.87Å; V664-L672 HydrophobicContact CG1-CD1 4.09Å |
| 665 | C | 94.4 | Very high | 86 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | trans | -73.9 | 160.4 | 172.6 | 75 | 0 | 0 | 0 | 0 | 110.6 | C633 F640 C644 K667 C668 N669 | C633-C665 HydrophobicContact CB-CB 4Å; C633-C665 PolarHBondContact SG-N 3.45Å; F640-C665 HydrophobicContact CD1-CB 4.04Å; F640-C665 HydrophobicContact CD2-CB 3.91Å; F640-C665 HydrophobicContact CE1-CB 3.65Å; F640-C665 HydrophobicContact CE2-CB 3.51Å; F640-C665 HydrophobicContact CG-CB 4.17Å; F640-C665 HydrophobicContact CZ-CB 3.38Å; C644-C665 WeakPolarHBondContact O-CA 3.49Å; C665-K667 VanDerWaalsContact C-N 3.29Å; C665-K667 PolarHBondContact O-N 2.78Å; C665-C668 PolarHBondContact O-N 3.13Å; C665-C668 VanDerWaalsContact O-N 3.14Å; C665-C668 PolarHBondContact SG-N 2.95Å; C665-N669 WeakPolarHBondContact O-CB 3.26Å; C665-N669 PolarHBondContact O-N 2.88Å | ||
| 666 | Q | 91.4 | Very high | 85.4 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -50.6 | -46.3 | 179.7 | -167.6 | 178.3 | -1.7 | 0 | 0 | 113.2 | W647 C668 N669 C670 | W647-Q666 HydrophobicContact CD2-CB 4.48Å; W647-Q666 HydrophobicContact CE3-CB 3.99Å; W647-Q666 HydrophobicContact CH2-CB 3.62Å; W647-Q666 HydrophobicContact CH2-CG 3.75Å; W647-Q666 HydrophobicContact CZ2-CB 4.11Å; W647-Q666 HydrophobicContact CZ2-CG 3.82Å; W647-Q666 HydrophobicContact CZ3-CB 3.55Å; W647-Q666 HydrophobicContact CZ3-CG 4.19Å; Q666-C668 PolarHBondContact O-N 3.2Å; Q666-N669 WeakPolarHBondContact O-CB 3.44Å; Q666-N669 PolarHBondContact O-N 3.35Å; Q666-C670 PolarHBondContact O-N 2.87Å; Q666-C670 PolarHBondContact O-SG 2.89Å; Q666-C670 VanDerWaalsContact O-SG 3.36Å |
| 667 | K | 92.7 | Very high | 85.3 | Confident | 179 Ų | 179 | 71.1 Ų | 71.1 | 78% | 0.778 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -47.2 | -179.5 | -177.1 | -179.1 | 178.3 | -178.7 | 0 | 111.6 | C665 C670 K671 | C665-K667 VanDerWaalsContact C-N 3.29Å; C665-K667 PolarHBondContact O-N 2.78Å; K667-C670 PolarHBondContact O-N 3.03Å; K667-K671 PolarHBondContact O-N 2.82Å; K667-K671 VanDerWaalsContact O-N 3.07Å |
| 668 | C | 94.3 | Very high | 84.5 | Confident | 12 Ų | 12 | 73.4 Ų | 73.4 | 8% | 0.081 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 177 | -72.6 | 0 | 0 | 0 | 0 | 111.4 | C633 C635 V664 C665 Q666 C670 K671 L672 | C633-C668 VanDerWaalsContact SG-SG 3.67Å; C635-C668 HydrophobicContact CB-CB 3.72Å; V664-C668 HydrophobicContact CB-CB 4.32Å; C665-C668 PolarHBondContact O-N 3.13Å; C665-C668 VanDerWaalsContact O-N 3.14Å; C665-C668 PolarHBondContact SG-N 2.95Å; Q666-C668 PolarHBondContact O-N 3.2Å; C668-C670 PolarHBondContact O-N 3.01Å; C668-K671 PolarHBondContact O-N 3.48Å; C668-L672 WeakPolarHBondContact O-CB 3.48Å; C668-L672 WeakPolarHBondContact O-CG 3.41Å; C668-L672 PolarHBondContact O-N 3.45Å |
| 669 | N | 92.2 | Very high | 83.6 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 176 | -167.7 | 61.5 | 0 | 0 | 0 | 111.8 | W647 V664 C665 Q666 K671 L672 L673 | W647-N669 HydrophobicContact CB-CB 4.04Å; W647-N669 VanDerWaalsContact CD1-ND2 3.35Å; W647-N669 HydrophobicContact CG-CB 4.14Å; V664-N669 HydrophobicContact CG2-CB 3.87Å; C665-N669 WeakPolarHBondContact O-CB 3.26Å; C665-N669 PolarHBondContact O-N 2.88Å; Q666-N669 WeakPolarHBondContact O-CB 3.44Å; Q666-N669 PolarHBondContact O-N 3.35Å; N669-K671 PolarHBondContact O-N 3.47Å; N669-L672 PolarHBondContact O-N 3.43Å; N669-L673 WeakPolarHBondContact O-CG 3.39Å; N669-L673 PolarHBondContact O-N 3.06Å |
| 670 | C | 90.7 | Very high | 83.8 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 49% | 0.493 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.8 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | Q666 K667 C668 L673 A674 | Q666-C670 PolarHBondContact O-N 2.87Å; Q666-C670 PolarHBondContact O-SG 2.89Å; Q666-C670 VanDerWaalsContact O-SG 3.36Å; K667-C670 PolarHBondContact O-N 3.03Å; C668-C670 PolarHBondContact O-N 3.01Å; C670-L673 PolarHBondContact O-N 3.28Å; C670-A674 PolarHBondContact O-N 3.28Å; C670-A674 VanDerWaalsContact O-N 3.08Å |
| 671 | K | 89.2 | Confident | 83.7 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.2 | -176.1 | -173.3 | 175.4 | -169.8 | 0 | 111.4 | D600 K667 C668 N669 A674 F675 | D600-K671 PolarHBondContact O-NZ 2.96Å; K667-K671 PolarHBondContact O-N 2.82Å; K667-K671 VanDerWaalsContact O-N 3.07Å; C668-K671 PolarHBondContact O-N 3.48Å; N669-K671 PolarHBondContact O-N 3.47Å; K671-A674 WeakPolarHBondContact O-CB 3.17Å; K671-A674 PolarHBondContact O-N 2.92Å; K671-F675 PolarHBondContact O-N 3.39Å |
| 672 | L | 88.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | -179.2 | -69.1 | 169.8 | 0 | 0 | 0 | 112.3 | A649 L651 P652 V664 C668 N669 A674 F675 Q676 | A649-L672 HydrophobicContact CB-CD1 3.78Å; L651-L672 HydrophobicContact CD2-CD1 3.6Å; L651-L672 HydrophobicContact CD2-CD2 4.44Å; P652-L672 VanDerWaalsContact CD-CD2 3.48Å; P652-L672 HydrophobicContact CG-CD2 4.09Å; V664-L672 HydrophobicContact CG1-CD1 4.09Å; C668-L672 WeakPolarHBondContact O-CB 3.48Å; C668-L672 WeakPolarHBondContact O-CG 3.41Å; C668-L672 PolarHBondContact O-N 3.45Å; N669-L672 PolarHBondContact O-N 3.43Å; L672-A674 VanDerWaalsContact C-N 3.28Å; L672-A674 PolarHBondContact O-N 2.98Å; L672-F675 WeakPolarHBondContact O-CB 3.21Å; L672-F675 PolarHBondContact O-N 3.14Å; L672-Q676 PolarHBondContact O-N 2.83Å |
| 673 | L | 86.8 | Confident | 82.9 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 45% | 0.45 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 174.3 | -73.6 | 174 | 0 | 0 | 0 | 112.4 | N669 C670 K677 | N669-L673 WeakPolarHBondContact O-CG 3.39Å; N669-L673 PolarHBondContact O-N 3.06Å; C670-L673 PolarHBondContact O-N 3.28Å; L673-K677 WeakPolarHBondContact O-CG 3.16Å |
| 674 | A | 82.2 | Confident | 82.4 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C670 K671 L672 Q676 K677 I678 | C670-A674 PolarHBondContact O-N 3.28Å; C670-A674 VanDerWaalsContact O-N 3.08Å; K671-A674 WeakPolarHBondContact O-CB 3.17Å; K671-A674 PolarHBondContact O-N 2.92Å; L672-A674 VanDerWaalsContact C-N 3.28Å; L672-A674 PolarHBondContact O-N 2.98Å; A674-Q676 PolarHBondContact O-N 2.83Å; A674-K677 PolarHBondContact O-N 2.82Å; A674-K677 VanDerWaalsContact O-N 3.16Å; A674-I678 WeakPolarHBondContact O-CG1 3.28Å |
| 675 | F | 71.4 | Confident | 81.7 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 23% | 0.232 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.7 | -167.2 | -101.3 | 0 | 0 | 0 | 112.4 | P652 K671 L672 K677 I678 I679 | P652-F675 HydrophobicContact CB-CD1 4.47Å; P652-F675 HydrophobicContact CB-CE1 4.02Å; P652-F675 HydrophobicContact CG-CD1 3.79Å; P652-F675 HydrophobicContact CG-CE1 3.85Å; K671-F675 PolarHBondContact O-N 3.39Å; L672-F675 WeakPolarHBondContact O-CB 3.21Å; L672-F675 PolarHBondContact O-N 3.14Å; F675-K677 PolarHBondContact O-N 2.99Å; F675-I678 PolarHBondContact O-N 3.23Å; F675-I678 VanDerWaalsContact O-N 3.11Å; F675-I679 HydrophobicContact CD1-CD1 3.82Å; F675-I679 HydrophobicContact CE1-CD1 3.38Å; F675-I679 HydrophobicContact CE1-CG1 4.28Å; F675-I679 HydrophobicContact CZ-CD1 4.08Å; F675-I679 PolarHBondContact O-N 3.02Å |
| 676 | Q | 71.7 | Confident | 80.8 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.3 | 176 | -75.2 | -179.6 | -23.7 | 0 | 0 | 114.9 | L672 A674 | L672-Q676 PolarHBondContact O-N 2.83Å; A674-Q676 PolarHBondContact O-N 2.83Å |
| 677 | K | 72.3 | Confident | 80 | Confident | 181 Ų | 181 | 92.5 Ų | 92.5 | 79% | 0.787 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.9 | 174.3 | -71.6 | 179.3 | 179.6 | -175.5 | 0 | 113 | L673 A674 F675 | L673-K677 WeakPolarHBondContact O-CG 3.16Å; A674-K677 PolarHBondContact O-N 2.82Å; A674-K677 VanDerWaalsContact O-N 3.16Å; F675-K677 PolarHBondContact O-N 2.99Å |
| 678 | I | 57.5 | Low | 78.9 | Confident | 141 Ų | 141 | 85.3 Ų | 85.3 | 72% | 0.723 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -37.6 | -177.7 | -65.2 | 168.1 | 0 | 0 | 0 | 110.4 | A674 F675 | A674-I678 WeakPolarHBondContact O-CG1 3.28Å; F675-I678 PolarHBondContact O-N 3.23Å; F675-I678 VanDerWaalsContact O-N 3.11Å |
| 679 | I | 49.9 | Very low | 77.5 | Confident | 169 Ų | 169 | 92 Ų | 92 | 87% | 0.867 | 47% | 0.469 | S | S | * | . | trans | -70.8 | 0 | 164.6 | -58.4 | 176.2 | 0 | 0 | 0 | 108.7 | F675 | F675-I679 HydrophobicContact CD1-CD1 3.82Å; F675-I679 HydrophobicContact CE1-CD1 3.38Å; F675-I679 HydrophobicContact CE1-CG1 4.28Å; F675-I679 HydrophobicContact CZ-CD1 4.08Å; F675-I679 PolarHBondContact O-N 3.02Å |
Retrieved 679 of 679 residues in 419.9 ms
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