| 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 | 57.8 | Low | 67.4 | Low | 212 Ų | 212 | 103.6 Ų | 103.6 | 100% | 1.044 | 50% | 0.498 | S | S | * | . | 0 | 123 | 0 | -154.4 | -176.2 | -64.8 | 0 | 0 | 105.7 | Q3 | M1-Q3 PolarHBondContact O-N 3.46Š| |||
| 2 | Y | 67.8 | Low | 69.6 | Low | 42 Ų | 42 | 100.8 Ų | 100.8 | 17% | 0.165 | 49% | 0.493 | C | S | . | . | trans | -62.1 | 130.4 | 177.8 | -55.5 | -73.9 | 0 | 0 | 0 | 108.2 | D159 I161 D326 | Y2-D159 HydrophobicContact CD1-CB 3.99Å; Y2-D159 HydrophobicContact CE1-CB 4.17Å; Y2-I161 HydrophobicContact CD2-CD1 4.06Å; Y2-I161 HydrophobicContact CD2-CG2 3.76Å; Y2-I161 HydrophobicContact CE1-CG2 4.36Å; Y2-I161 HydrophobicContact CE2-CG2 3.31Å; Y2-I161 HydrophobicContact CG-CD1 4.15Å; Y2-I161 HydrophobicContact CG-CG2 4.43Å; Y2-D326 WeakPolarHBondContact CE2-OD1 3.4Å; Y2-D326 VanDerWaalsContact CE2-OD2 3.27Å; Y2-D326 WeakPolarHBondContact CE2-OD2 3.49Å; Y2-D326 PolarHBondContact OH-OD1 3.1Å | ||
| 3 | Q | 59.5 | Low | 71.4 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | trans | -98.5 | 133.7 | 172.4 | -71.9 | -178 | -14.4 | 0 | 0 | 106.3 | M1 N5 | M1-Q3 PolarHBondContact O-N 3.46Å; Q3-N5 HydrophobicContact CB-CB 4.26Å; Q3-N5 WeakPolarHBondContact CB-ND2 3.41Å; Q3-N5 WeakPolarHBondContact O-CB 3.47Å; Q3-N5 PolarHBondContact O-N 3.13Å; Q3-N5 PolarHBondContact OE1-ND2 3.37Å | ||
| 4 | W | 57.1 | Low | 73 | Confident | 132 Ų | 132 | 95 Ų | 95 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | trans | -63.7 | 94.2 | 165.4 | -175.4 | 71.3 | 0 | 0 | 0 | 107.8 | F183 P185 | W4-F183 HydrophobicContact CB-CD2 4.23Å; W4-F183 HydrophobicContact CB-CE2 3.68Å; W4-F183 HydrophobicContact CB-CZ 4.13Å; W4-F183 PolarHBondContact NE1-O 3.36Å; W4-P185 HydrophobicContact CD2-CG 3.88Å; W4-P185 HydrophobicContact CE3-CG 3.91Å; W4-P185 HydrophobicContact CG-CG 4.3Å; W4-P185 HydrophobicContact CZ3-CG 4.31Å | ||
| 5 | N | 48.5 | Very low | 74.2 | Confident | 67 Ų | 67 | 88.7 Ų | 88.7 | 36% | 0.358 | 43% | 0.432 | S | S | . | . | trans | -133.5 | 139 | -168 | -87.9 | -6.7 | 0 | 0 | 0 | 109.7 | Q3 R7 | Q3-N5 HydrophobicContact CB-CB 4.26Å; Q3-N5 WeakPolarHBondContact CB-ND2 3.41Å; Q3-N5 WeakPolarHBondContact O-CB 3.47Å; Q3-N5 PolarHBondContact O-N 3.13Å; Q3-N5 PolarHBondContact OE1-ND2 3.37Å; N5-R7 PolarHBondContact O-N 3.33Å | ||
| 6 | N | 56.1 | Low | 75.2 | Confident | 161 Ų | 161 | 88.4 Ų | 88.4 | 86% | 0.861 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 7.6 | 171.9 | -64.8 | -14.3 | 0 | 0 | 0 | 114.9 | ||
| 7 | R | 57.7 | Low | 75.9 | Confident | 209 Ų | 209 | 84 Ų | 84 | 79% | 0.789 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -36.9 | -178.8 | -68.1 | -171.4 | -177.2 | -173.7 | 1.3 | 112.3 | N5 N157 | N5-R7 PolarHBondContact O-N 3.33Å; R7-N157 PolarHBondContact O-ND2 2.85Å; R7-N157 VanDerWaalsContact O-ND2 3.08Å |
| 8 | N | 71.6 | Confident | 76.3 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -107.6 | 141.9 | -180 | -68.6 | -5.3 | 0 | 0 | 0 | 109 | S10 N157 D159 | N8-S10 PolarHBondContact O-N 2.75Å; N8-N157 CarbonylContact C-O 3.47Å; N8-N157 VanDerWaalsContact CA-O 3.29Å; N8-N157 WeakPolarHBondContact CA-O 3.5Å; N8-N157 WeakPolarHBondContact CB-O 3.32Å; N8-N157 PolarHBondContact OD1-ND2 3.33Å; N8-N157 VanDerWaalsContact OD1-ND2 3.11Å; N8-N157 PolarHBondContact OD1-OD1 3.11Å; N8-D159 PolarHBondContact ND2-OD1 2.75Å |
| 9 | T | 83.1 | Confident | 76.4 | Confident | 71 Ų | 71 | 84 Ų | 84 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | trans | -70 | 124.8 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 109 | V156 N157 M158 | T9-V156 WeakPolarHBondContact OG1-CG1 3.48Å; T9-N157 PolarHBondContact N-O 2.85Å; T9-N157 PolarHBondContact OG1-O 2.9Å; T9-M158 WeakPolarHBondContact O-CE 3.42Å; T9-M158 WeakPolarHBondContact O-CG 3.41Å | ||
| 10 | S | 89.2 | Confident | 76.6 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | trans | -107.8 | 150.8 | 165.7 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | N8 L180 | N8-S10 PolarHBondContact O-N 2.75Å; S10-L180 CarbonylContact C-O 3.55Å; S10-L180 VanDerWaalsContact CA-O 3.24Å; S10-L180 WeakPolarHBondContact CA-O 3.28Å | ||
| 11 | T | 92.7 | Very high | 76.8 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.6 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 108.3 | I102 L105 L180 | T11-I102 HydrophobicContact CG2-CG2 4.44Å; T11-I102 VanDerWaalsContact CG2-O 3.26Å; T11-I102 WeakPolarHBondContact CG2-O 3.4Å; T11-L105 HydrophobicContact CG2-CB 3.84Å; T11-L180 PolarHBondContact N-O 2.92Å; T11-L180 PolarHBondContact O-N 3.31Å |
| 12 | T | 93.8 | Very high | 78.1 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.4 | 179.8 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | L178 V179 | T12-L178 CarbonylContact C-O 3.56Å; T12-L178 VanDerWaalsContact CA-O 3.26Å; T12-L178 WeakPolarHBondContact CA-O 3.43Å; T12-V179 HydrophobicContact CG2-CG1 4.31Å; T12-V179 HydrophobicContact CG2-CG2 4.18Å |
| 13 | E | 93.9 | Very high | 79.2 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.7 | 165.7 | 178.7 | 53.8 | -149.5 | 0 | 0 | 107.9 | P15 G25 E26 F40 I102 E177 L178 | E13-P15 VanDerWaalsContact C-CD 3.5Å; E13-P15 WeakPolarHBondContact O-CD 3.45Å; E13-G25 WeakPolarHBondContact OE1-CA 3.41Å; E13-E26 PolarHBondContact OE1-N 2.85Å; E13-F40 HydrophobicContact CG-CE2 3.89Å; E13-F40 HydrophobicContact CG-CZ 4.1Å; E13-I102 HydrophobicContact CB-CG2 3.9Å; E13-I102 HydrophobicContact CG-CG2 4.37Å; E13-E177 WeakPolarHBondContact O-CA 3.36Å; E13-L178 HydrophobicContact CB-CB 4.33Å; E13-L178 HydrophobicContact CB-CD2 4.48Å; E13-L178 PolarHBondContact N-O 3.06Å; E13-L178 PolarHBondContact O-N 2.92Å |
| 14 | Q | 92.8 | Very high | 80.7 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | trans | -109.6 | 88.9 | -178.9 | -70.5 | -174.2 | -14.5 | 0 | 0 | 110.4 | I16 G176 | Q14-I16 PolarHBondContact O-N 2.9Å; Q14-G176 WeakPolarHBondContact CA-O 3.19Å | ||
| 15 | P | 91.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -52.8 | 132.8 | 175 | -28.3 | 33 | 0 | 0 | 0 | 112.5 | E13 Y24 G175 G176 | E13-P15 VanDerWaalsContact C-CD 3.5Å; E13-P15 WeakPolarHBondContact O-CD 3.45Å; P15-Y24 CarbonylContact C-O 3.52Å; P15-Y24 VanDerWaalsContact CA-O 3.28Å; P15-Y24 WeakPolarHBondContact CA-O 3.45Å; P15-G175 CarbonylContact O-C 3.55Å; P15-G175 VanDerWaalsContact O-C 3.23Å; P15-G175 WeakPolarHBondContact O-CA 3.45Å; P15-G175 PolarHBondContact O-N 3.08Å; P15-G176 PolarHBondContact O-N 3.33Å | ||
| 16 | I | 89.9 | Confident | 84.6 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.6 | 170.9 | -63.1 | 165.7 | 0 | 0 | 0 | 107.7 | Q14 F18 Y23 Y24 | Q14-I16 PolarHBondContact O-N 2.9Å; I16-F18 PolarHBondContact O-N 3.12Å; I16-Y23 WeakPolarHBondContact O-CA 3.21Å; I16-Y24 HydrophobicContact CB-CD2 4.3Å; I16-Y24 HydrophobicContact CB-CE2 3.86Å; I16-Y24 HydrophobicContact CD1-CD2 4.43Å; I16-Y24 HydrophobicContact CD1-CE2 3.76Å; I16-Y24 HydrophobicContact CG1-CE2 4.35Å; I16-Y24 HydrophobicContact CG2-CE1 4.48Å; I16-Y24 HydrophobicContact CG2-CE2 4.23Å; I16-Y24 PolarHBondContact N-O 3.21Å; I16-Y24 PolarHBondContact O-N 3.17Å |
| 17 | N | 87.1 | Confident | 86.6 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.6 | 174.2 | 175.7 | -7.4 | 0 | 0 | 0 | 109.3 | N20 Y23 N167 G175 | N17-N20 PolarHBondContact ND2-OD1 3.05Å; N17-N20 WeakPolarHBondContact OD1-CA 3.5Å; N17-N20 PolarHBondContact OD1-N 3.34Å; N17-Y23 HydrophobicContact CB-CD1 3.99Å; N17-Y23 HydrophobicContact CB-CE1 3.59Å; N17-Y23 PolarHBondContact ND2-OH 3.09Å; N17-N167 PolarHBondContact ND2-O 3.02Å; N17-G175 VanDerWaalsContact CB-CA 3.46Å |
| 18 | F | 83.1 | Confident | 88.5 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.7 | 171.6 | -178.1 | -104.2 | 0 | 0 | 0 | 110.5 | I16 N20 F21 Q22 Y24 K127 | I16-F18 PolarHBondContact O-N 3.12Å; F18-N20 PolarHBondContact O-N 3.32Å; F18-F21 PolarHBondContact O-N 2.94Å; F18-Q22 HydrophobicContact CB-CB 4.36Å; F18-Q22 PolarHBondContact N-O 2.82Å; F18-Q22 PolarHBondContact O-N 2.85Å; F18-Y24 HydrophobicContact CB-CE1 3.75Å; F18-K127 HydrophobicContact CD1-CG 3.77Å; F18-K127 HydrophobicContact CD2-CG 3.86Å; F18-K127 HydrophobicContact CE1-CG 3.78Å; F18-K127 HydrophobicContact CE2-CD 4.39Å; F18-K127 HydrophobicContact CE2-CG 3.88Å; F18-K127 HydrophobicContact CG-CB 4.47Å; F18-K127 HydrophobicContact CG-CG 3.82Å; F18-K127 HydrophobicContact CZ-CD 4.32Å; F18-K127 VanDerWaalsContact CZ-CE 3.49Å; F18-K127 HydrophobicContact CZ-CG 3.85Å |
| 19 | E | 78.5 | Confident | 89.7 | Confident | 112 Ų | 112 | 40 Ų | 40 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 28.9 | 175.9 | -61 | -167.4 | -179.5 | 0 | 0 | 115.1 | F21 | E19-F21 PolarHBondContact O-N 2.97Å; E19-F21 VanDerWaalsContact O-N 3.16Å |
| 20 | N | 80.6 | Confident | 90.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 26.1 | -179.2 | -85.6 | -31.6 | 0 | 0 | 0 | 112.4 | N17 F18 Y23 R168 R319 | N17-N20 PolarHBondContact ND2-OD1 3.05Å; N17-N20 WeakPolarHBondContact OD1-CA 3.5Å; N17-N20 PolarHBondContact OD1-N 3.34Å; F18-N20 PolarHBondContact O-N 3.32Å; N20-Y23 PolarHBondContact OD1-OH 3.46Å; N20-R168 PolarHBondContact ND2-O 3.39Å; N20-R168 WeakPolarHBondContact OD1-CA 3.3Å; N20-R168 PolarHBondContact OD1-O 2.6Å; N20-R168 VanDerWaalsContact OD1-O 3.13Å; N20-R319 PolarHBondContact O-NH1 2.68Å |
| 21 | F | 80 | Confident | 90.9 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -25.3 | -174.1 | -152.6 | -97.7 | 0 | 0 | 0 | 112.9 | F18 E19 S230 L231 | F18-F21 PolarHBondContact O-N 2.94Å; E19-F21 PolarHBondContact O-N 2.97Å; E19-F21 VanDerWaalsContact O-N 3.16Å; F21-S230 WeakPolarHBondContact CD1-OG 3.13Å; F21-S230 WeakPolarHBondContact CE1-OG 3.31Å; F21-S230 WeakPolarHBondContact O-CB 3.42Å; F21-S230 PolarHBondContact O-OG 2.97Å; F21-L231 HydrophobicContact CE2-CD2 4.36Å; F21-L231 HydrophobicContact CE2-CG 4.43Å |
| 22 | Q | 84.6 | Confident | 91.1 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.8 | 176.3 | -60.7 | 170 | 49 | 0 | 0 | 109.3 | F18 Y24 N125 Y128 | F18-Q22 HydrophobicContact CB-CB 4.36Å; F18-Q22 PolarHBondContact N-O 2.82Å; F18-Q22 PolarHBondContact O-N 2.85Å; Q22-Y24 HydrophobicContact CB-CD1 4.33Å; Q22-N125 PolarHBondContact NE2-O 3.21Å; Q22-Y128 HydrophobicContact CG-CE1 4.49Å |
| 23 | Y | 91.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 99.8 | 174 | -67.1 | -92.6 | 0 | 0 | 0 | 109.1 | I16 N17 N20 L39 L166 N167 G175 D315 R319 | I16-Y23 WeakPolarHBondContact O-CA 3.21Å; N17-Y23 HydrophobicContact CB-CD1 3.99Å; N17-Y23 HydrophobicContact CB-CE1 3.59Å; N17-Y23 PolarHBondContact ND2-OH 3.09Å; N20-Y23 PolarHBondContact OD1-OH 3.46Å; Y23-L39 WeakPolarHBondContact O-CD1 3.44Å; Y23-L166 HydrophobicContact CD1-CB 4.39Å; Y23-L166 HydrophobicContact CD1-CD2 3.84Å; Y23-L166 HydrophobicContact CD2-CD1 4.06Å; Y23-L166 HydrophobicContact CD2-CD2 4.23Å; Y23-L166 HydrophobicContact CE1-CB 3.95Å; Y23-L166 HydrophobicContact CE1-CD2 4.27Å; Y23-L166 HydrophobicContact CE2-CB 4.37Å; Y23-L166 HydrophobicContact CE2-CD1 4.08Å; Y23-L166 HydrophobicContact CG-CD1 4.48Å; Y23-L166 HydrophobicContact CG-CD2 3.81Å; Y23-N167 PolarHBondContact OH-O 3.32Å; Y23-G175 VanDerWaalsContact CE1-O 3.23Å; Y23-G175 WeakPolarHBondContact CE1-O 3.41Å; Y23-D315 HydrophobicContact CD2-CB 4.41Å; Y23-D315 VanDerWaalsContact CD2-OD2 3.25Å; Y23-D315 WeakPolarHBondContact CD2-OD2 3.39Å; Y23-D315 HydrophobicContact CE2-CB 3.97Å; Y23-D315 WeakPolarHBondContact CE2-OD2 3.41Å; Y23-R319 WeakPolarHBondContact OH-CD 3.44Å; Y23-R319 WeakPolarHBondContact OH-CG 3.43Å |
| 24 | Y | 92.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.078 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.4 | -177 | 58.9 | -93.8 | 0 | 0 | 0 | 111.5 | P15 I16 F18 Q22 R37 V38 K127 | P15-Y24 CarbonylContact C-O 3.52Å; P15-Y24 VanDerWaalsContact CA-O 3.28Å; P15-Y24 WeakPolarHBondContact CA-O 3.45Å; I16-Y24 HydrophobicContact CB-CD2 4.3Å; I16-Y24 HydrophobicContact CB-CE2 3.86Å; I16-Y24 HydrophobicContact CD1-CD2 4.43Å; I16-Y24 HydrophobicContact CD1-CE2 3.76Å; I16-Y24 HydrophobicContact CG1-CE2 4.35Å; I16-Y24 HydrophobicContact CG2-CE1 4.48Å; I16-Y24 HydrophobicContact CG2-CE2 4.23Å; I16-Y24 PolarHBondContact N-O 3.21Å; I16-Y24 PolarHBondContact O-N 3.17Å; F18-Y24 HydrophobicContact CB-CE1 3.75Å; Q22-Y24 HydrophobicContact CB-CD1 4.33Å; Y24-R37 HydrophobicContact CD2-CB 3.82Å; Y24-R37 HydrophobicContact CD2-CG 4.14Å; Y24-R37 HydrophobicContact CE2-CB 4.28Å; Y24-R37 HydrophobicContact CE2-CG 4.16Å; Y24-V38 CarbonylContact C-O 3.59Å; Y24-V38 WeakPolarHBondContact CA-O 3.5Å; Y24-V38 VanDerWaalsContact CB-O 3.28Å; Y24-V38 WeakPolarHBondContact CB-O 3.24Å; Y24-K127 HydrophobicContact CD1-CB 4.21Å; Y24-K127 HydrophobicContact CE1-CB 3.43Å; Y24-K127 VanDerWaalsContact CE1-CB 3.43Å; Y24-K127 HydrophobicContact CE1-CG 4.46Å |
| 25 | G | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 171.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E13 R37 V38 | E13-G25 WeakPolarHBondContact OE1-CA 3.41Å; G25-R37 CarbonylContact O-C 3.59Å; G25-R37 VanDerWaalsContact O-CA 3.27Å; G25-R37 WeakPolarHBondContact O-CA 3.29Å; G25-V38 PolarHBondContact N-O 3.03Å; G25-V38 PolarHBondContact O-N 3.14Å |
| 26 | E | 94.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.2 | 170.4 | -174.3 | 176.9 | 101.3 | 0 | 0 | 109.4 | E13 K35 | E13-E26 PolarHBondContact OE1-N 2.85Å; E26-K35 WeakPolarHBondContact OE1-CD 3.47Å; E26-K35 VanDerWaalsContact OE1-CE 3.3Å; E26-K35 WeakPolarHBondContact OE1-CE 3.27Å; E26-K35 IonicContact OE1-NZ 2.72Å; E26-K35 PolarHBondContact OE1-NZ 2.91Å |
| 27 | I | 96.4 | Very high | 92 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 176.2 | 175 | 66.2 | 144.9 | 0 | 0 | 0 | 109.9 | V29 K35 L36 V38 F40 F49 I100 R101 I102 I132 | I27-V29 HydrophobicContact CD1-CG2 3.8Å; I27-K35 WeakPolarHBondContact O-CA 3.44Å; I27-L36 HydrophobicContact CG1-CB 4.33Å; I27-L36 PolarHBondContact N-O 2.73Å; I27-L36 PolarHBondContact O-N 2.76Å; I27-V38 HydrophobicContact CB-CG2 4.4Å; I27-V38 HydrophobicContact CD1-CG1 3.91Å; I27-V38 HydrophobicContact CD1-CG2 4.35Å; I27-V38 HydrophobicContact CG1-CB 4.45Å; I27-V38 HydrophobicContact CG1-CG1 3.71Å; I27-V38 HydrophobicContact CG1-CG2 3.84Å; I27-V38 HydrophobicContact CG2-CG2 3.69Å; I27-F40 HydrophobicContact CG2-CZ 4.02Å; I27-F49 HydrophobicContact CD1-CE1 4.05Å; I27-F49 HydrophobicContact CD1-CZ 3.87Å; I27-I100 HydrophobicContact CD1-CG2 3.78Å; I27-R101 WeakPolarHBondContact CB-O 3.35Å; I27-I102 HydrophobicContact CG2-CD1 4.48Å; I27-I102 HydrophobicContact CG2-CG1 3.82Å; I27-I132 HydrophobicContact CD1-CD1 3.96Å; I27-I132 HydrophobicContact CG2-CD1 4.37Å |
| 28 | S | 97.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.6 | 167.8 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | Q34 I100 R101 | S28-Q34 CarbonylContact C-O 3.53Å; S28-Q34 WeakPolarHBondContact CA-O 3.46Å; S28-I100 CarbonylContact O-C 3.49Å; S28-I100 WeakPolarHBondContact O-CA 3.47Å; S28-R101 PolarHBondContact N-O 3.03Å; S28-R101 PolarHBondContact O-N 2.9Å |
| 29 | V | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.9 | -177.3 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | I27 Q34 L36 F49 Y67 D98 T99 I100 F112 | I27-V29 HydrophobicContact CD1-CG2 3.8Å; V29-Q34 PolarHBondContact N-O 3.35Å; V29-Q34 WeakPolarHBondContact O-CB 3.31Å; V29-Q34 PolarHBondContact O-N 3.49Å; V29-L36 HydrophobicContact CB-CD1 4.32Å; V29-L36 HydrophobicContact CG2-CD1 3.68Å; V29-F49 HydrophobicContact CG1-CE2 4.4Å; V29-F49 HydrophobicContact CG2-CD2 4.11Å; V29-F49 HydrophobicContact CG2-CE2 3.69Å; V29-F49 HydrophobicContact CG2-CZ 4.12Å; V29-Y67 HydrophobicContact CB-CD2 3.95Å; V29-Y67 HydrophobicContact CB-CE2 4.05Å; V29-Y67 HydrophobicContact CG1-CD2 3.85Å; V29-Y67 HydrophobicContact CG1-CE2 3.55Å; V29-D98 HydrophobicContact CG1-CB 4.13Å; V29-T99 CarbonylContact C-O 3.49Å; V29-T99 WeakPolarHBondContact CA-O 3.15Å; V29-I100 HydrophobicContact CG1-CG1 4.36Å; V29-I100 HydrophobicContact CG2-CG1 4.2Å; V29-F112 HydrophobicContact CG1-CE1 3.98Å; V29-F112 HydrophobicContact CG1-CZ 4.01Å |
| 30 | G | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 179.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | P32 P33 S72 D98 T99 R101 | G30-P32 CarbonylContact C-O 3.57Å; G30-P32 CarbonylContact O-C 3.41Å; G30-P33 WeakPolarHBondContact O-CA 3.45Å; G30-S72 WeakPolarHBondContact CA-OG 3.33Å; G30-D98 VanDerWaalsContact CA-CG 3.49Å; G30-D98 WeakPolarHBondContact CA-OD1 3.11Å; G30-D98 WeakPolarHBondContact CA-OD2 3.34Å; G30-T99 PolarHBondContact N-O 2.96Å; G30-R101 PolarHBondContact O-NH1 3.05Å |
| 31 | T | 98.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | 110.2 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | S72 S73 T74 R101 | T31-S72 PolarHBondContact N-OG 3.3Å; T31-S72 CarbonylContact O-C 3.55Å; T31-S72 WeakPolarHBondContact O-CA 3.46Å; T31-S73 PolarHBondContact O-N 2.89Å; T31-S73 PolarHBondContact O-OG 2.79Å; T31-S73 VanDerWaalsContact O-OG 3.11Å; T31-T74 WeakPolarHBondContact CB-OG1 3.41Å; T31-T74 HydrophobicContact CG2-CG2 4.48Å; T31-T74 PolarHBondContact N-OG1 2.87Å; T31-T74 VanDerWaalsContact OG1-CG2 3.29Å; T31-T74 WeakPolarHBondContact OG1-CG2 3.49Å; T31-T74 PolarHBondContact OG1-OG1 3.22Å; T31-R101 PolarHBondContact OG1-NH2 3.08Å; T31-R101 VanDerWaalsContact OG1-NH2 3.09Å |
| 32 | P | 97.7 | Very high | 95.3 | Very high | 88 Ų | 88 | 29.3 Ų | 29.3 | 57% | 0.571 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -65.2 | 157.2 | 3.8 | 28.7 | -37 | 0 | 0 | 0 | 113.2 | G30 Q34 K71 | G30-P32 CarbonylContact C-O 3.57Å; G30-P32 CarbonylContact O-C 3.41Å; P32-Q34 PolarHBondContact O-N 2.93Å; P32-K71 WeakPolarHBondContact CD-O 3.08Å |
| 33 | P | 97.9 | Very high | 95.7 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 48% | 0.481 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 126.8 | -178 | -20.8 | 32.1 | 0 | 0 | 0 | 112.8 | G30 | G30-P33 WeakPolarHBondContact O-CA 3.45Š|
| 34 | Q | 97.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.6 | 174.8 | -55.5 | 177.7 | 56.8 | 0 | 0 | 108.9 | S28 V29 P32 D68 | S28-Q34 CarbonylContact C-O 3.53Å; S28-Q34 WeakPolarHBondContact CA-O 3.46Å; V29-Q34 PolarHBondContact N-O 3.35Å; V29-Q34 WeakPolarHBondContact O-CB 3.31Å; V29-Q34 PolarHBondContact O-N 3.49Å; P32-Q34 PolarHBondContact O-N 2.93Å; Q34-D68 PolarHBondContact NE2-O 3.32Å |
| 35 | K | 96.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 32.6 Ų | 32.6 | 59% | 0.587 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 136.3 | -176.5 | -69.3 | -176.9 | 168.7 | -149 | 0 | 111.6 | E26 I27 | E26-K35 WeakPolarHBondContact OE1-CD 3.47Å; E26-K35 VanDerWaalsContact OE1-CE 3.3Å; E26-K35 WeakPolarHBondContact OE1-CE 3.27Å; E26-K35 IonicContact OE1-NZ 2.72Å; E26-K35 PolarHBondContact OE1-NZ 2.91Å; I27-K35 WeakPolarHBondContact O-CA 3.44Å |
| 36 | L | 95.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.4 | 175.7 | -62.8 | 173.9 | 0 | 0 | 0 | 109.8 | I27 V29 V38 F49 P65 D129 | I27-L36 HydrophobicContact CG1-CB 4.33Å; I27-L36 PolarHBondContact N-O 2.73Å; I27-L36 PolarHBondContact O-N 2.76Å; V29-L36 HydrophobicContact CB-CD1 4.32Å; V29-L36 HydrophobicContact CG2-CD1 3.68Å; L36-V38 HydrophobicContact CB-CG1 4.37Å; L36-F49 HydrophobicContact CD1-CB 3.88Å; L36-F49 HydrophobicContact CD1-CD1 3.81Å; L36-F49 HydrophobicContact CD1-CD2 3.98Å; L36-F49 HydrophobicContact CD1-CE1 4.45Å; L36-F49 HydrophobicContact CD1-CG 3.59Å; L36-P65 WeakPolarHBondContact CD2-O 3.39Å; L36-D129 HydrophobicContact CD2-CB 4.25Å |
| 37 | R | 93.7 | Very high | 96.3 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 25% | 0.253 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.3 | 169.8 | -62.7 | 166.6 | -63.6 | 167.7 | 6 | 108.9 | Y24 G25 K127 D129 G130 | Y24-R37 HydrophobicContact CD2-CB 3.82Å; Y24-R37 HydrophobicContact CD2-CG 4.14Å; Y24-R37 HydrophobicContact CE2-CB 4.28Å; Y24-R37 HydrophobicContact CE2-CG 4.16Å; G25-R37 CarbonylContact O-C 3.59Å; G25-R37 VanDerWaalsContact O-CA 3.27Å; G25-R37 WeakPolarHBondContact O-CA 3.29Å; R37-K127 WeakPolarHBondContact CD-O 3.34Å; R37-K127 PolarHBondContact NE-O 3.23Å; R37-K127 PolarHBondContact NH1-O 3.19Å; R37-D129 WeakPolarHBondContact CB-OD2 3.44Å; R37-D129 IonicContact CZ-OD1 3.53Å; R37-D129 IonicContact CZ-OD2 2.75Å; R37-D129 PolarHBondContact N-OD2 3.5Å; R37-D129 IonicContact NE-OD1 3.44Å; R37-D129 IonicContact NE-OD2 3.66Å; R37-D129 PolarHBondContact NE-OD2 2.82Å; R37-D129 IonicContact NH2-OD1 3.93Å; R37-D129 PolarHBondContact NH2-OD1 2.93Å; R37-D129 IonicContact NH2-OD2 2.7Å; R37-D129 PolarHBondContact NH2-OD2 3.4Å; R37-D129 WeakPolarHBondContact O-CA 3.24Å; R37-D129 PolarHBondContact O-N 2.98Å; R37-G130 PolarHBondContact O-N 2.57Å |
| 38 | V | 94.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.7 | -174 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | Y24 G25 I27 L36 F40 F49 G130 I132 | Y24-V38 CarbonylContact C-O 3.59Å; Y24-V38 WeakPolarHBondContact CA-O 3.5Å; Y24-V38 VanDerWaalsContact CB-O 3.28Å; Y24-V38 WeakPolarHBondContact CB-O 3.24Å; G25-V38 PolarHBondContact N-O 3.03Å; G25-V38 PolarHBondContact O-N 3.14Å; I27-V38 HydrophobicContact CB-CG2 4.4Å; I27-V38 HydrophobicContact CD1-CG1 3.91Å; I27-V38 HydrophobicContact CD1-CG2 4.35Å; I27-V38 HydrophobicContact CG1-CB 4.45Å; I27-V38 HydrophobicContact CG1-CG1 3.71Å; I27-V38 HydrophobicContact CG1-CG2 3.84Å; I27-V38 HydrophobicContact CG2-CG2 3.69Å; L36-V38 HydrophobicContact CB-CG1 4.37Å; V38-F40 HydrophobicContact CG2-CE1 4.43Å; V38-F40 HydrophobicContact CG2-CE2 4.05Å; V38-F40 HydrophobicContact CG2-CZ 3.97Å; V38-F49 HydrophobicContact CG1-CD1 4Å; V38-F49 HydrophobicContact CG1-CE1 3.6Å; V38-G130 VanDerWaalsContact CA-O 3.3Å; V38-G130 WeakPolarHBondContact CA-O 3.01Å; V38-I132 HydrophobicContact CB-CD1 4.29Å; V38-I132 HydrophobicContact CB-CG1 4.26Å; V38-I132 HydrophobicContact CG2-CD1 3.7Å; V38-I132 HydrophobicContact CG2-CG1 4.19Å |
| 39 | L | 93.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.6 | 164.5 | -174.9 | 66.7 | 0 | 0 | 0 | 108.3 | Y23 D41 Y128 G130 I131 I132 | Y23-L39 WeakPolarHBondContact O-CD1 3.44Å; L39-D41 HydrophobicContact CD2-CB 4.45Å; L39-D41 HydrophobicContact CG-CB 4.41Å; L39-Y128 HydrophobicContact CB-CD1 4.24Å; L39-Y128 HydrophobicContact CB-CD2 4.31Å; L39-Y128 HydrophobicContact CB-CE1 4.32Å; L39-Y128 HydrophobicContact CB-CE2 4.41Å; L39-Y128 HydrophobicContact CB-CG 4.22Å; L39-Y128 HydrophobicContact CD2-CE1 4.17Å; L39-G130 PolarHBondContact N-O 2.84Å; L39-I131 HydrophobicContact CB-CG1 4.25Å; L39-I131 HydrophobicContact CD2-CD1 4.45Å; L39-I131 CarbonylContact O-C 3.32Å; L39-I131 WeakPolarHBondContact O-CA 3.17Å; L39-I132 PolarHBondContact O-N 2.9Å |
| 40 | F | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.3 | 167.6 | -64.1 | -85.2 | 0 | 0 | 0 | 107 | E13 I27 V38 I102 I132 M134 M147 F164 L178 T227 | E13-F40 HydrophobicContact CG-CE2 3.89Å; E13-F40 HydrophobicContact CG-CZ 4.1Å; I27-F40 HydrophobicContact CG2-CZ 4.02Å; V38-F40 HydrophobicContact CG2-CE1 4.43Å; V38-F40 HydrophobicContact CG2-CE2 4.05Å; V38-F40 HydrophobicContact CG2-CZ 3.97Å; F40-I102 HydrophobicContact CE1-CD1 3.88Å; F40-I102 HydrophobicContact CZ-CD1 4.25Å; F40-I132 HydrophobicContact CD1-CB 4.03Å; F40-I132 HydrophobicContact CD1-CD1 4.13Å; F40-I132 HydrophobicContact CD1-CG2 4.09Å; F40-I132 HydrophobicContact CE1-CB 4.39Å; F40-I132 HydrophobicContact CE1-CD1 3.61Å; F40-I132 HydrophobicContact CE1-CG2 4.42Å; F40-I132 HydrophobicContact CZ-CD1 4.26Å; F40-M134 HydrophobicContact CB-CG 4.13Å; F40-M134 HydrophobicContact CD1-CG 4.33Å; F40-M134 HydrophobicContact CD1-SD 4.31Å; F40-M147 HydrophobicContact CE1-CE 4.48Å; F40-F164 HydrophobicContact CB-CE1 4.12Å; F40-F164 HydrophobicContact CB-CZ 3.73Å; F40-L178 HydrophobicContact CD1-CD2 3.64Å; F40-L178 HydrophobicContact CD2-CD2 3.9Å; F40-L178 HydrophobicContact CE1-CD2 3.65Å; F40-L178 HydrophobicContact CE2-CD2 3.91Å; F40-L178 HydrophobicContact CG-CD2 3.77Å; F40-L178 HydrophobicContact CZ-CD2 3.79Å; F40-T227 VanDerWaalsContact O-CB 3.31Å; F40-T227 WeakPolarHBondContact O-CB 3.45Å; F40-T227 PolarHBondContact O-OG1 3.42Å |
| 41 | D | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.5 | -168.2 | 172.3 | 3.3 | 0 | 0 | 0 | 110 | L39 E43 S44 I131 I132 M134 | L39-D41 HydrophobicContact CD2-CB 4.45Å; L39-D41 HydrophobicContact CG-CB 4.41Å; D41-E43 VanDerWaalsContact C-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CB 2.86Å; D41-E43 PolarHBondContact OD1-N 3.33Å; D41-S44 WeakPolarHBondContact CB-OG 3.25Å; D41-S44 PolarHBondContact OD1-N 2.8Å; D41-S44 WeakPolarHBondContact OD2-CB 3.36Å; D41-S44 PolarHBondContact OD2-OG 2.77Å; D41-I131 HydrophobicContact CB-CG2 3.53Å; D41-I132 PolarHBondContact N-O 2.59Å; D41-M134 WeakPolarHBondContact O-CA 3.14Å; D41-M134 WeakPolarHBondContact O-CB 3.37Å; D41-M134 PolarHBondContact O-N 2.72Å |
| 42 | T | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -81.2 | -11.1 | -177 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | M134 S135 F162 F164 W203 I225 D226 T227 F325 | T42-M134 HydrophobicContact CG2-CB 3.93Å; T42-S135 WeakPolarHBondContact O-CA 3.39Å; T42-F162 HydrophobicContact CG2-CE2 3.96Å; T42-F162 HydrophobicContact CG2-CZ 4.34Å; T42-F164 HydrophobicContact CG2-CE2 4.17Å; T42-W203 VanDerWaalsContact O-CD1 3.28Å; T42-I225 PolarHBondContact OG1-O 2.98Å; T42-D226 VanDerWaalsContact OG1-CA 3.28Å; T42-D226 WeakPolarHBondContact OG1-CA 3.27Å; T42-T227 HydrophobicContact CG2-CG2 4.11Å; T42-T227 WeakPolarHBondContact CG2-OG1 3.39Å; T42-T227 PolarHBondContact N-OG1 2.78Å; T42-T227 PolarHBondContact OG1-N 3.08Å; T42-T227 PolarHBondContact OG1-OG1 3.2Å; T42-F325 HydrophobicContact CG2-CE1 4.02Å; T42-F325 HydrophobicContact CG2-CE2 4.14Å; T42-F325 HydrophobicContact CG2-CZ 3.79Å |
| 43 | E | 94.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 29 Ų | 29 | 37% | 0.374 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -80.8 | -46.2 | 169.3 | -177.3 | 168.6 | -142.3 | 0 | 0 | 111.2 | D41 L224 D226 | D41-E43 VanDerWaalsContact C-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CB 2.86Å; D41-E43 PolarHBondContact OD1-N 3.33Å; E43-L224 HydrophobicContact CB-CD2 4.02Å; E43-L224 HydrophobicContact CG-CD2 3.75Å; E43-L224 VanDerWaalsContact OE1-CD2 3.31Å; E43-L224 WeakPolarHBondContact OE1-CD2 3.42Å; E43-D226 WeakPolarHBondContact CB-OD1 3.46Å; E43-D226 PolarHBondContact N-OD1 2.83Å |
| 44 | S | 94.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 11% | 0.105 | 13% | 0.125 | C | C | . | . | trans | -77.9 | 153.3 | -175.9 | 66.9 | 0 | 0 | 0 | 0 | 114 | D41 I131 G133 M134 S135 | D41-S44 WeakPolarHBondContact CB-OG 3.25Å; D41-S44 PolarHBondContact OD1-N 2.8Å; D41-S44 WeakPolarHBondContact OD2-CB 3.36Å; D41-S44 PolarHBondContact OD2-OG 2.77Å; S44-I131 WeakPolarHBondContact OG-CG2 3.34Å; S44-G133 CarbonylContact O-C 3.46Å; S44-G133 WeakPolarHBondContact O-CA 3.27Å; S44-M134 PolarHBondContact O-N 2.83Å; S44-M134 VanDerWaalsContact O-N 3.1Å; S44-S135 WeakPolarHBondContact O-CB 3.34Å; S44-S135 PolarHBondContact O-N 2.84Å | ||
| 45 | T | 95.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 33 Ų | 33 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | trans | -103.7 | -37.5 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | S135 R137 P146 | T45-S135 PolarHBondContact OG1-OG 3.47Å; T45-R137 HydrophobicContact CG2-CB 3.84Å; T45-R137 HydrophobicContact CG2-CG 4.37Å; T45-P146 HydrophobicContact CG2-CB 4.4Å; T45-P146 HydrophobicContact CG2-CG 3.52Å | ||
| 46 | D | 95.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | trans | -87.6 | 141.7 | -174 | -65.5 | -52.8 | 0 | 0 | 0 | 111.4 | Y82 W95 G133 S140 | D46-Y82 HydrophobicContact CB-CE2 3.81Å; D46-Y82 WeakPolarHBondContact CB-OH 3.35Å; D46-W95 HydrophobicContact CB-CH2 4.02Å; D46-W95 VanDerWaalsContact OD1-CH2 3.31Å; D46-W95 WeakPolarHBondContact OD1-CH2 3.15Å; D46-G133 PolarHBondContact O-N 3.5Å; D46-S140 WeakPolarHBondContact OD1-CB 3.16Å; D46-S140 PolarHBondContact OD1-OG 2.86Å; D46-S140 VanDerWaalsContact OD1-OG 3.05Å | ||
| 47 | T | 96.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | trans | -93.1 | 135.4 | 171.4 | -63.2 | 0 | 0 | 0 | 0 | 109 | F49 I100 F112 A113 I131 I132 | T47-F49 HydrophobicContact CG2-CE1 3.83Å; T47-F49 HydrophobicContact CG2-CE2 3.9Å; T47-F49 HydrophobicContact CG2-CZ 3.34Å; T47-I100 HydrophobicContact CG2-CD1 4.36Å; T47-F112 HydrophobicContact CG2-CB 3.7Å; T47-F112 CarbonylContact O-C 3.59Å; T47-F112 WeakPolarHBondContact O-CA 3.34Å; T47-F112 WeakPolarHBondContact O-CB 3.33Å; T47-A113 PolarHBondContact O-N 2.92Å; T47-I131 CarbonylContact C-O 3.58Å; T47-I131 VanDerWaalsContact CA-O 3.31Å; T47-I131 WeakPolarHBondContact CA-O 3.38Å; T47-I131 WeakPolarHBondContact CG2-O 3.43Å; T47-I132 HydrophobicContact CG2-CG1 4Å | ||
| 48 | W | 95.1 | Very high | 88 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.4 | 173.2 | 62.5 | -97.3 | 0 | 0 | 0 | 112.5 | Y86 A113 M115 I118 G130 I131 | W48-Y86 AromaticContact CE2-CE2 3.77Å; W48-Y86 HydrophobicContact CZ2-CD2 4.43Å; W48-Y86 AromaticContact CZ2-CE2 3.88Å; W48-Y86 HydrophobicContact CZ2-CE2 3.88Å; W48-Y86 AromaticContact NE1-CE2 3.24Å; W48-Y86 AromaticContact NE1-CZ 3.39Å; W48-Y86 PolarHBondContact NE1-OH 3.01Å; W48-A113 CarbonylContact C-O 3.39Å; W48-A113 WeakPolarHBondContact CA-O 3.48Å; W48-A113 HydrophobicContact CB-CB 4.07Å; W48-A113 VanDerWaalsContact CB-O 3.31Å; W48-A113 WeakPolarHBondContact CB-O 3.32Å; W48-M115 HydrophobicContact CB-CE 3.52Å; W48-M115 HydrophobicContact CB-CG 4.07Å; W48-M115 HydrophobicContact CB-SD 4.36Å; W48-M115 HydrophobicContact CD2-CG 3.73Å; W48-M115 HydrophobicContact CE3-CB 4.28Å; W48-M115 HydrophobicContact CE3-CG 3.31Å; W48-M115 HydrophobicContact CG-CE 4.16Å; W48-M115 HydrophobicContact CG-CG 4.08Å; W48-M115 HydrophobicContact CG-SD 4.44Å; W48-M115 HydrophobicContact CZ3-CG 3.99Å; W48-I118 HydrophobicContact CH2-CD1 4.22Å; W48-I118 HydrophobicContact CZ3-CD1 3.66Å; W48-G130 CarbonylContact O-C 3.52Å; W48-G130 WeakPolarHBondContact O-CA 3.39Å; W48-I131 HydrophobicContact CD2-CB 4.39Å; W48-I131 HydrophobicContact CH2-CD1 4.37Å; W48-I131 HydrophobicContact CH2-CG1 4.13Å; W48-I131 HydrophobicContact CZ2-CB 4.08Å; W48-I131 HydrophobicContact CZ2-CD1 3.36Å; W48-I131 HydrophobicContact CZ2-CG1 3.41Å; W48-I131 VanDerWaalsContact CZ2-CG1 3.41Å; W48-I131 PolarHBondContact N-O 2.61Å; W48-I131 PolarHBondContact O-N 2.93Å |
| 49 | F | 94.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145 | 177.3 | -54.3 | -49.8 | 0 | 0 | 0 | 110.4 | I27 V29 L36 V38 T47 S51 I100 F112 A113 M115 I132 | I27-F49 HydrophobicContact CD1-CE1 4.05Å; I27-F49 HydrophobicContact CD1-CZ 3.87Å; V29-F49 HydrophobicContact CG1-CE2 4.4Å; V29-F49 HydrophobicContact CG2-CD2 4.11Å; V29-F49 HydrophobicContact CG2-CE2 3.69Å; V29-F49 HydrophobicContact CG2-CZ 4.12Å; L36-F49 HydrophobicContact CD1-CB 3.88Å; L36-F49 HydrophobicContact CD1-CD1 3.81Å; L36-F49 HydrophobicContact CD1-CD2 3.98Å; L36-F49 HydrophobicContact CD1-CE1 4.45Å; L36-F49 HydrophobicContact CD1-CG 3.59Å; V38-F49 HydrophobicContact CG1-CD1 4Å; V38-F49 HydrophobicContact CG1-CE1 3.6Å; T47-F49 HydrophobicContact CG2-CE1 3.83Å; T47-F49 HydrophobicContact CG2-CE2 3.9Å; T47-F49 HydrophobicContact CG2-CZ 3.34Å; F49-S51 PolarHBondContact O-N 3.39Å; F49-I100 HydrophobicContact CE2-CD1 3.82Å; F49-I100 HydrophobicContact CE2-CG1 4.49Å; F49-I100 HydrophobicContact CZ-CD1 3.72Å; F49-F112 HydrophobicContact CD2-CB 4.25Å; F49-F112 HydrophobicContact CD2-CD1 4.33Å; F49-F112 AromaticContact CD2-CD2 3.38Å; F49-F112 HydrophobicContact CD2-CD2 3.38Å; F49-F112 AromaticContact CD2-CE2 3.72Å; F49-F112 HydrophobicContact CD2-CE2 3.72Å; F49-F112 AromaticContact CD2-CG 3.72Å; F49-F112 HydrophobicContact CD2-CG 3.72Å; F49-F112 HydrophobicContact CD2-CZ 4.34Å; F49-F112 HydrophobicContact CE2-CB 3.97Å; F49-F112 AromaticContact CE2-CD1 3.99Å; F49-F112 HydrophobicContact CE2-CD1 3.99Å; F49-F112 AromaticContact CE2-CD2 3.83Å; F49-F112 HydrophobicContact CE2-CD2 3.83Å; F49-F112 HydrophobicContact CE2-CE1 4.47Å; F49-F112 HydrophobicContact CE2-CE2 4.33Å; F49-F112 AromaticContact CE2-CG 3.64Å; F49-F112 HydrophobicContact CE2-CG 3.64Å; F49-F112 HydrophobicContact CG-CD2 4.36Å; F49-A113 PolarHBondContact N-O 3.07Å; F49-M115 PolarHBondContact O-N 2.76Å; F49-I132 HydrophobicContact CE1-CG1 4.24Å; F49-I132 HydrophobicContact CZ-CG1 4.38Å |
| 50 | A | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 131.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F66 Y67 I118 D129 | A50-F66 HydrophobicContact CB-CB 4.33Å; A50-F66 HydrophobicContact CB-CD1 3.43Å; A50-F66 VanDerWaalsContact CB-CD1 3.43Å; A50-F66 HydrophobicContact CB-CD2 3.79Å; A50-F66 HydrophobicContact CB-CE1 3.5Å; A50-F66 VanDerWaalsContact CB-CE1 3.5Å; A50-F66 HydrophobicContact CB-CE2 3.84Å; A50-F66 HydrophobicContact CB-CG 3.59Å; A50-F66 HydrophobicContact CB-CZ 3.71Å; A50-F66 WeakPolarHBondContact O-CB 3.31Å; A50-Y67 PolarHBondContact O-N 3.31Å; A50-I118 HydrophobicContact CB-CD1 3.61Å; A50-D129 VanDerWaalsContact CB-O 3.32Å; A50-D129 WeakPolarHBondContact CB-O 2.94Å; A50-D129 PolarHBondContact N-O 3.18Å |
| 51 | S | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -110.4 | 146.2 | -174 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | F49 N53 C61 E114 M115 | F49-S51 PolarHBondContact O-N 3.39Å; S51-N53 PolarHBondContact O-N 3.48Å; S51-N53 WeakPolarHBondContact OG-CB 3.33Å; S51-N53 PolarHBondContact OG-N 3.27Å; S51-C61 PolarHBondContact O-SG 2.88Å; S51-E114 WeakPolarHBondContact CB-OE2 3.49Å; S51-E114 PolarHBondContact OG-OE2 2.86Å; S51-M115 WeakPolarHBondContact CB-O 3.42Å; S51-M115 PolarHBondContact N-O 2.8Å |
| 52 | R | 87.7 | Confident | 82.7 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -65.3 | -18.8 | 165.2 | -72.3 | -62.9 | -165.7 | 170.8 | 8.2 | 113 | C54 C61 W62 F64 F66 Y67 D68 | R52-C54 PolarHBondContact O-N 2.81Å; R52-C54 PolarHBondContact O-SG 2.81Å; R52-C61 PolarHBondContact NH1-O 3.43Å; R52-W62 PolarHBondContact NH1-O 3.36Å; R52-F64 PolarHBondContact NH1-O 2.99Å; R52-F64 PolarHBondContact NH2-O 3.05Å; R52-F66 HydrophobicContact CG-CB 4.26Å; R52-Y67 PolarHBondContact N-O 3.11Å; R52-D68 HydrophobicContact CB-CB 4.26Å; R52-D68 HydrophobicContact CG-CB 3.78Å |
| 53 | N | 84 | Confident | 81.4 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -80.9 | 35.6 | 175.9 | -63.4 | -45.6 | 0 | 0 | 0 | 112.7 | S51 S69 F94 E114 R116 | S51-N53 PolarHBondContact O-N 3.48Å; S51-N53 WeakPolarHBondContact OG-CB 3.33Å; S51-N53 PolarHBondContact OG-N 3.27Å; N53-S69 PolarHBondContact ND2-OG 2.98Å; N53-F94 HydrophobicContact CB-CE1 4.15Å; N53-F94 HydrophobicContact CB-CZ 4.27Å; N53-E114 PolarHBondContact ND2-OE2 2.9Å; N53-R116 WeakPolarHBondContact O-CD 3.41Å; N53-R116 WeakPolarHBondContact O-CG 3.45Å; N53-R116 PolarHBondContact O-NE 2.8Å |
| 54 | C | 80.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -84.7 | 178.8 | 174.9 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | R52 F56 C61 R116 | R52-C54 PolarHBondContact O-N 2.81Å; R52-C54 PolarHBondContact O-SG 2.81Å; C54-F56 PolarHBondContact O-N 3.11Å; C54-C61 HydrophobicContact CB-CB 3.97Å; C54-C61 WeakPolarHBondContact CB-SG 3.47Å; C54-C61 WeakPolarHBondContact SG-CB 3.44Å; C54-C61 CovalentContact SG-SG 1.95Å; C54-C61 PolarHBondContact SG-SG 2.98Å; C54-R116 WeakPolarHBondContact CB-O 3.26Å |
| 55 | W | 72.9 | Confident | 79.9 | Confident | 164 Ų | 164 | 61 Ų | 61 | 62% | 0.621 | 29% | 0.285 | S | S | * | . | trans | -66.1 | 133 | 179.7 | -169.2 | 42.8 | 0 | 0 | 0 | 112.2 | L57 D58 | W55-L57 VanDerWaalsContact C-N 3.28Å; W55-L57 HydrophobicContact CD2-CB 4.17Å; W55-L57 HydrophobicContact CE3-CB 4.03Å; W55-L57 HydrophobicContact CH2-CB 4.13Å; W55-L57 HydrophobicContact CH2-CD1 3.73Å; W55-L57 HydrophobicContact CH2-CG 4.41Å; W55-L57 HydrophobicContact CZ2-CB 4.24Å; W55-L57 HydrophobicContact CZ2-CD1 3.64Å; W55-L57 HydrophobicContact CZ2-CG 4.2Å; W55-L57 HydrophobicContact CZ3-CB 4.01Å; W55-L57 HydrophobicContact CZ3-CD1 4.43Å; W55-L57 PolarHBondContact O-N 2.9Å; W55-D58 WeakPolarHBondContact O-CB 3.23Å; W55-D58 PolarHBondContact O-N 3.21Å | ||
| 56 | F | 64.2 | Low | 79.7 | Confident | 144 Ų | 144 | 60.2 Ų | 60.2 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.9 | -170.9 | 71.2 | -85.7 | 0 | 0 | 0 | 115 | C54 D58 | C54-F56 PolarHBondContact O-N 3.11Å; F56-D58 PolarHBondContact O-N 3.44Å |
| 57 | L | 64.3 | Low | 79.7 | Confident | 109 Ų | 109 | 59 Ų | 59 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.9 | 174.2 | -68.1 | -177 | 0 | 0 | 0 | 112.8 | W55 I59 | W55-L57 VanDerWaalsContact C-N 3.28Å; W55-L57 HydrophobicContact CD2-CB 4.17Å; W55-L57 HydrophobicContact CE3-CB 4.03Å; W55-L57 HydrophobicContact CH2-CB 4.13Å; W55-L57 HydrophobicContact CH2-CD1 3.73Å; W55-L57 HydrophobicContact CH2-CG 4.41Å; W55-L57 HydrophobicContact CZ2-CB 4.24Å; W55-L57 HydrophobicContact CZ2-CD1 3.64Å; W55-L57 HydrophobicContact CZ2-CG 4.2Å; W55-L57 HydrophobicContact CZ3-CB 4.01Å; W55-L57 HydrophobicContact CZ3-CD1 4.43Å; W55-L57 PolarHBondContact O-N 2.9Å; L57-I59 PolarHBondContact O-N 3.38Å |
| 58 | D | 67.9 | Low | 79.6 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | trans | -81.2 | 85.2 | 174.7 | -150.3 | -43 | 0 | 0 | 0 | 110.4 | W55 F56 F60 C61 F119 | W55-D58 WeakPolarHBondContact O-CB 3.23Å; W55-D58 PolarHBondContact O-N 3.21Å; F56-D58 PolarHBondContact O-N 3.44Å; D58-F60 PolarHBondContact O-N 3.2Å; D58-F60 VanDerWaalsContact O-N 3.08Å; D58-F60 WeakPolarHBondContact OD1-CB 3.38Å; D58-F60 PolarHBondContact OD1-N 3.43Å; D58-C61 HydrophobicContact CB-CB 4.16Å; D58-C61 WeakPolarHBondContact O-CB 3.3Å; D58-C61 PolarHBondContact O-N 2.59Å; D58-F119 HydrophobicContact CB-CD2 4.27Å; D58-F119 HydrophobicContact CB-CE2 4.24Å; D58-F119 WeakPolarHBondContact OD1-CD2 3.32Å; D58-F119 WeakPolarHBondContact OD1-CE2 3.37Å; D58-F119 WeakPolarHBondContact OD2-CB 3.29Å; D58-F119 WeakPolarHBondContact OD2-CD2 3.5Å; D58-F119 WeakPolarHBondContact OD2-CE2 3.17Å; D58-F119 VanDerWaalsContact OD2-CG 3.22Å; D58-F119 WeakPolarHBondContact OD2-CG 3.49Å | ||
| 59 | I | 63.4 | Low | 79.7 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.6 | -30.1 | -178.6 | -163.3 | 163.7 | 0 | 0 | 0 | 112.1 | L57 C61 W62 M63 | L57-I59 PolarHBondContact O-N 3.38Å; I59-C61 PolarHBondContact O-N 2.89Å; I59-W62 WeakPolarHBondContact O-CB 3.16Å; I59-W62 PolarHBondContact O-N 2.78Å; I59-W62 VanDerWaalsContact O-N 3.15Å; I59-M63 PolarHBondContact O-N 2.8Å |
| 60 | F | 65.6 | Low | 79.7 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.9 | -29.8 | -179.7 | -62.9 | -73.5 | 0 | 0 | 0 | 112.2 | D58 W62 M63 F64 F119 Y124 | D58-F60 PolarHBondContact O-N 3.2Å; D58-F60 VanDerWaalsContact O-N 3.08Å; D58-F60 WeakPolarHBondContact OD1-CB 3.38Å; D58-F60 PolarHBondContact OD1-N 3.43Å; F60-W62 PolarHBondContact O-N 3.11Å; F60-M63 HydrophobicContact CD1-SD 4Å; F60-M63 HydrophobicContact CE1-SD 4.43Å; F60-M63 WeakPolarHBondContact O-CB 3.2Å; F60-M63 PolarHBondContact O-N 3.5Å; F60-F64 HydrophobicContact CB-CD2 4.26Å; F60-F64 HydrophobicContact CB-CE2 4.08Å; F60-F64 HydrophobicContact CD1-CE2 4.32Å; F60-F64 WeakPolarHBondContact O-CD2 3.2Å; F60-F64 PolarHBondContact O-N 3.44Å; F60-F64 VanDerWaalsContact O-N 3.14Å; F60-F119 HydrophobicContact CB-CD1 3.84Å; F60-F119 HydrophobicContact CB-CE1 3.2Å; F60-F119 HydrophobicContact CB-CE2 4.43Å; F60-F119 HydrophobicContact CB-CZ 3.51Å; F60-F119 HydrophobicContact CG-CD1 4.41Å; F60-F119 HydrophobicContact CG-CE1 4.16Å; F60-Y124 HydrophobicContact CD1-CE1 4.09Å; F60-Y124 HydrophobicContact CD2-CE1 4.4Å; F60-Y124 WeakPolarHBondContact CD2-OH 3.26Å; F60-Y124 HydrophobicContact CE1-CE1 4.01Å; F60-Y124 HydrophobicContact CE2-CE1 4.33Å; F60-Y124 WeakPolarHBondContact CE2-OH 3.46Å; F60-Y124 HydrophobicContact CG-CE1 4.28Å; F60-Y124 HydrophobicContact CZ-CE1 4.12Å |
| 61 | C | 73.4 | Confident | 80 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -24.3 | 176.8 | -150.6 | 0 | 0 | 0 | 0 | 113.1 | S51 R52 C54 D58 I59 F119 | S51-C61 PolarHBondContact O-SG 2.88Å; R52-C61 PolarHBondContact NH1-O 3.43Å; C54-C61 HydrophobicContact CB-CB 3.97Å; C54-C61 WeakPolarHBondContact CB-SG 3.47Å; C54-C61 WeakPolarHBondContact SG-CB 3.44Å; C54-C61 CovalentContact SG-SG 1.95Å; C54-C61 PolarHBondContact SG-SG 2.98Å; D58-C61 HydrophobicContact CB-CB 4.16Å; D58-C61 WeakPolarHBondContact O-CB 3.3Å; D58-C61 PolarHBondContact O-N 2.59Å; I59-C61 PolarHBondContact O-N 2.89Å; C61-F119 HydrophobicContact CB-CE2 3.78Å; C61-F119 HydrophobicContact CB-CZ 4.01Å |
| 62 | W | 66.3 | Low | 80.3 | Confident | 178 Ų | 178 | 70.9 Ų | 70.9 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -80 | -28.8 | 170.8 | -64.8 | 93.4 | 0 | 0 | 0 | 112.6 | R52 I59 F60 | R52-W62 PolarHBondContact NH1-O 3.36Å; I59-W62 WeakPolarHBondContact O-CB 3.16Å; I59-W62 PolarHBondContact O-N 2.78Å; I59-W62 VanDerWaalsContact O-N 3.15Å; F60-W62 PolarHBondContact O-N 3.11Å |
| 63 | M | 70.6 | Confident | 80.8 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -79.2 | -30.9 | -176 | -64.8 | 178.5 | 64.9 | 0 | 0 | 114.1 | I59 F60 | I59-M63 PolarHBondContact O-N 2.8Å; F60-M63 HydrophobicContact CD1-SD 4Å; F60-M63 HydrophobicContact CE1-SD 4.43Å; F60-M63 WeakPolarHBondContact O-CB 3.2Å; F60-M63 PolarHBondContact O-N 3.5Å |
| 64 | F | 78.2 | Confident | 81.5 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -96.3 | 150 | -176 | -67.3 | -69.7 | 0 | 0 | 0 | 113.1 | R52 F60 F66 F119 Y123 | R52-F64 PolarHBondContact NH1-O 2.99Å; R52-F64 PolarHBondContact NH2-O 3.05Å; F60-F64 HydrophobicContact CB-CD2 4.26Å; F60-F64 HydrophobicContact CB-CE2 4.08Å; F60-F64 HydrophobicContact CD1-CE2 4.32Å; F60-F64 WeakPolarHBondContact O-CD2 3.2Å; F60-F64 PolarHBondContact O-N 3.44Å; F60-F64 VanDerWaalsContact O-N 3.14Å; F64-F66 HydrophobicContact CB-CD1 3.6Å; F64-F66 HydrophobicContact CB-CE1 3.21Å; F64-F66 HydrophobicContact CB-CE2 4.29Å; F64-F66 HydrophobicContact CB-CG 4.27Å; F64-F66 HydrophobicContact CB-CZ 3.61Å; F64-F66 HydrophobicContact CD2-CE1 4.36Å; F64-F66 HydrophobicContact CD2-CZ 4.02Å; F64-F66 AromaticContact CG-CE1 3.96Å; F64-F66 HydrophobicContact CG-CE1 3.96Å; F64-F66 HydrophobicContact CG-CZ 4.1Å; F64-F66 PolarHBondContact O-N 2.9Å; F64-F119 HydrophobicContact CD2-CE1 4.23Å; F64-F119 HydrophobicContact CE2-CE1 4.32Å; F64-Y123 HydrophobicContact CD2-CE1 4.5Å; F64-Y123 HydrophobicContact CE2-CE1 4.47Å |
| 65 | P | 80.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 74 Ų | 74 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | trans | -78.1 | 58.1 | -179.4 | 34.8 | -36.9 | 0 | 0 | 0 | 111.8 | L36 | L36-P65 WeakPolarHBondContact CD2-O 3.39Š| ||
| 66 | F | 90.5 | Very high | 83.6 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | trans | -71.1 | 159.8 | 178.9 | -67.4 | -8.1 | 0 | 0 | 0 | 112.7 | A50 R52 F64 D68 I118 F119 Y123 | A50-F66 HydrophobicContact CB-CB 4.33Å; A50-F66 HydrophobicContact CB-CD1 3.43Å; A50-F66 VanDerWaalsContact CB-CD1 3.43Å; A50-F66 HydrophobicContact CB-CD2 3.79Å; A50-F66 HydrophobicContact CB-CE1 3.5Å; A50-F66 VanDerWaalsContact CB-CE1 3.5Å; A50-F66 HydrophobicContact CB-CE2 3.84Å; A50-F66 HydrophobicContact CB-CG 3.59Å; A50-F66 HydrophobicContact CB-CZ 3.71Å; A50-F66 WeakPolarHBondContact O-CB 3.31Å; R52-F66 HydrophobicContact CG-CB 4.26Å; F64-F66 HydrophobicContact CB-CD1 3.6Å; F64-F66 HydrophobicContact CB-CE1 3.21Å; F64-F66 HydrophobicContact CB-CE2 4.29Å; F64-F66 HydrophobicContact CB-CG 4.27Å; F64-F66 HydrophobicContact CB-CZ 3.61Å; F64-F66 HydrophobicContact CD2-CE1 4.36Å; F64-F66 HydrophobicContact CD2-CZ 4.02Å; F64-F66 AromaticContact CG-CE1 3.96Å; F64-F66 HydrophobicContact CG-CE1 3.96Å; F64-F66 HydrophobicContact CG-CZ 4.1Å; F64-F66 PolarHBondContact O-N 2.9Å; F66-D68 PolarHBondContact O-N 3.25Å; F66-I118 HydrophobicContact CE2-CG2 4.19Å; F66-I118 HydrophobicContact CZ-CG2 4.32Å; F66-F119 HydrophobicContact CE2-CE1 4.38Å; F66-F119 AromaticContact CE2-CE2 3.98Å; F66-F119 HydrophobicContact CE2-CE2 3.98Å; F66-F119 AromaticContact CE2-CZ 3.49Å; F66-F119 HydrophobicContact CE2-CZ 3.49Å; F66-F119 VanDerWaalsContact CE2-CZ 3.49Å; F66-F119 HydrophobicContact CZ-CE1 4.28Å; F66-F119 AromaticContact CZ-CZ 3.82Å; F66-F119 HydrophobicContact CZ-CZ 3.82Å; F66-Y123 HydrophobicContact CE1-CE1 4.46Å; F66-Y123 AromaticContact CE1-CZ 3.98Å; F66-Y123 WeakPolarHBondContact CE1-OH 3.32Å; F66-Y123 AromaticContact CZ-CE1 4Å; F66-Y123 HydrophobicContact CZ-CE1 4Å; F66-Y123 AromaticContact CZ-CZ 3.88Å; F66-Y123 WeakPolarHBondContact CZ-OH 3.34Å | ||
| 67 | Y | 95.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 132.5 | 178.3 | 176.1 | -107.4 | 0 | 0 | 0 | 111.2 | V29 A50 R52 D98 F112 E114 | V29-Y67 HydrophobicContact CB-CD2 3.95Å; V29-Y67 HydrophobicContact CB-CE2 4.05Å; V29-Y67 HydrophobicContact CG1-CD2 3.85Å; V29-Y67 HydrophobicContact CG1-CE2 3.55Å; A50-Y67 PolarHBondContact O-N 3.31Å; R52-Y67 PolarHBondContact N-O 3.11Å; Y67-D98 PolarHBondContact OH-OD2 2.59Å; Y67-F112 AromaticContact CD1-CE2 3.83Å; Y67-F112 HydrophobicContact CD1-CE2 3.83Å; Y67-F112 HydrophobicContact CD1-CZ 4.09Å; Y67-F112 AromaticContact CE1-CE2 3.68Å; Y67-F112 HydrophobicContact CE1-CE2 3.68Å; Y67-F112 AromaticContact CE1-CZ 3.54Å; Y67-F112 HydrophobicContact CE1-CZ 3.54Å; Y67-F112 HydrophobicContact CE2-CZ 4.28Å; Y67-F112 HydrophobicContact CG-CE2 4.48Å; Y67-F112 AromaticContact CZ-CZ 3.65Å; Y67-E114 HydrophobicContact CD1-CG 3.91Å; Y67-E114 HydrophobicContact CE1-CG 4.11Å |
| 68 | D | 94.8 | Very high | 86.7 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -121.7 | 98.4 | 179.6 | -171 | -24.1 | 0 | 0 | 0 | 109.6 | Q34 R52 F66 S70 K71 | Q34-D68 PolarHBondContact NE2-O 3.32Å; R52-D68 HydrophobicContact CB-CB 4.26Å; R52-D68 HydrophobicContact CG-CB 3.78Å; F66-D68 PolarHBondContact O-N 3.25Å; D68-S70 PolarHBondContact O-N 2.88Å; D68-S70 WeakPolarHBondContact OD1-CB 3.25Å; D68-S70 PolarHBondContact OD1-N 2.71Å; D68-S70 VanDerWaalsContact OD1-N 3.11Å; D68-S70 PolarHBondContact OD1-OG 2.87Å; D68-K71 HydrophobicContact CB-CB 4.32Å; D68-K71 HydrophobicContact CB-CD 4.01Å; D68-K71 HydrophobicContact CB-CG 4.17Å; D68-K71 PolarHBondContact O-N 3.09Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 WeakPolarHBondContact OD2-CD 3.32Å; D68-K71 WeakPolarHBondContact OD2-CE 3.49Å; D68-K71 IonicContact OD2-NZ 2.83Å; D68-K71 PolarHBondContact OD2-NZ 3.38Å | ||
| 69 | S | 96.8 | Very high | 87.9 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -60.9 | -28.4 | 179.8 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | N53 K71 S72 E114 | N53-S69 PolarHBondContact ND2-OG 2.98Å; S69-K71 PolarHBondContact O-N 2.8Å; S69-S72 PolarHBondContact O-N 2.91Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-E114 PolarHBondContact OG-OE1 3Å |
| 70 | S | 95.9 | Very high | 89.5 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 74% | 0.741 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.3 | -19.3 | 178.9 | 79.6 | 0 | 0 | 0 | 0 | 113.7 | D68 | D68-S70 PolarHBondContact O-N 2.88Å; D68-S70 WeakPolarHBondContact OD1-CB 3.25Å; D68-S70 PolarHBondContact OD1-N 2.71Å; D68-S70 VanDerWaalsContact OD1-N 3.11Å; D68-S70 PolarHBondContact OD1-OG 2.87Å |
| 71 | K | 96.5 | Very high | 90.9 | Very high | 115 Ų | 115 | 64 Ų | 64 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -89.2 | -8 | 176.2 | -69.2 | -178.7 | -179.3 | 129.1 | 0 | 113.3 | P32 D68 S69 | P32-K71 WeakPolarHBondContact CD-O 3.08Å; D68-K71 HydrophobicContact CB-CB 4.32Å; D68-K71 HydrophobicContact CB-CD 4.01Å; D68-K71 HydrophobicContact CB-CG 4.17Å; D68-K71 PolarHBondContact O-N 3.09Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 WeakPolarHBondContact OD2-CD 3.32Å; D68-K71 WeakPolarHBondContact OD2-CE 3.49Å; D68-K71 IonicContact OD2-NZ 2.83Å; D68-K71 PolarHBondContact OD2-NZ 3.38Å; S69-K71 PolarHBondContact O-N 2.8Å |
| 72 | S | 98.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | trans | -102.1 | 121.7 | -175.4 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | G30 T31 S69 T74 Y75 D98 | G30-S72 WeakPolarHBondContact CA-OG 3.33Å; T31-S72 PolarHBondContact N-OG 3.3Å; T31-S72 CarbonylContact O-C 3.55Å; T31-S72 WeakPolarHBondContact O-CA 3.46Å; S69-S72 PolarHBondContact O-N 2.91Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S72-T74 VanDerWaalsContact C-N 3.29Å; S72-T74 PolarHBondContact OG-N 3.06Å; S72-T74 PolarHBondContact OG-OG1 2.9Å; S72-Y75 PolarHBondContact OG-N 3.5Å; S72-D98 WeakPolarHBondContact CB-OD2 3.45Å; S72-D98 VanDerWaalsContact OG-CG 3.29Å; S72-D98 PolarHBondContact OG-OD1 3.12Å; S72-D98 PolarHBondContact OG-OD2 2.59Å | ||
| 73 | S | 98.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.4 | 173.7 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | T31 | T31-S73 PolarHBondContact O-N 2.89Å; T31-S73 PolarHBondContact O-OG 2.79Å; T31-S73 VanDerWaalsContact O-OG 3.11Å |
| 74 | T | 98.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.3 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | T31 S72 D98 | T31-T74 WeakPolarHBondContact CB-OG1 3.41Å; T31-T74 HydrophobicContact CG2-CG2 4.48Å; T31-T74 PolarHBondContact N-OG1 2.87Å; T31-T74 VanDerWaalsContact OG1-CG2 3.29Å; T31-T74 WeakPolarHBondContact OG1-CG2 3.49Å; T31-T74 PolarHBondContact OG1-OG1 3.22Å; S72-T74 VanDerWaalsContact C-N 3.29Å; S72-T74 PolarHBondContact OG-N 3.06Å; S72-T74 PolarHBondContact OG-OG1 2.9Å; T74-D98 VanDerWaalsContact CB-OD1 3.31Å; T74-D98 WeakPolarHBondContact CB-OD1 3.4Å; T74-D98 PolarHBondContact OG1-OD1 2.79Å |
| 75 | Y | 98.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 57 Ų | 57 | 27% | 0.271 | 36% | 0.359 | S | S | . | . | trans | -66.4 | 137.6 | 176.5 | 165.8 | -109.2 | 0 | 0 | 0 | 111.6 | S72 A77 V97 D98 | S72-Y75 PolarHBondContact OG-N 3.5Å; Y75-A77 HydrophobicContact CE1-CB 4.07Å; Y75-A77 WeakPolarHBondContact OH-CA 3.32Å; Y75-A77 WeakPolarHBondContact OH-CB 3.5Å; Y75-V97 WeakPolarHBondContact CA-O 3.38Å; Y75-D98 PolarHBondContact N-OD1 3.41Å | ||
| 76 | V | 98.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 56 Ų | 56 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.9 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 108 | V97 | V76-V97 HydrophobicContact CB-CB 4.12Å; V76-V97 HydrophobicContact CB-CG1 4.47Å; V76-V97 PolarHBondContact N-O 3.02Å; V76-V97 PolarHBondContact O-N 3.24Å |
| 77 | A | 97.3 | Very high | 92.8 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y75 | Y75-A77 HydrophobicContact CE1-CB 4.07Å; Y75-A77 WeakPolarHBondContact OH-CA 3.32Å; Y75-A77 WeakPolarHBondContact OH-CB 3.5Å |
| 78 | D | 96 | Very high | 91.6 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -60 | 164.9 | 173.2 | -38 | 0 | 0 | 0 | 108.3 | S80 W95 | D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 PolarHBondContact O-N 3.44Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.9Å; D78-S80 PolarHBondContact OD1-OG 2.65Å; D78-W95 HydrophobicContact CB-CB 4.01Å; D78-W95 WeakPolarHBondContact CB-O 3.24Å |
| 79 | G | 92.9 | Very high | 90.7 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.6 | -5.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W95 | G79-W95 PolarHBondContact N-O 2.81Å |
| 80 | S | 96.6 | Very high | 90 | Very high | 55 Ų | 55 | 76.8 Ų | 76.8 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 146.2 | 172.5 | 62 | 0 | 0 | 0 | 0 | 111.4 | D78 F94 W95 | D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 PolarHBondContact O-N 3.44Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.9Å; D78-S80 PolarHBondContact OD1-OG 2.65Å; S80-F94 CarbonylContact O-C 3.46Å; S80-F94 WeakPolarHBondContact O-CA 3.18Å; S80-W95 PolarHBondContact O-N 3.23Å; S80-W95 VanDerWaalsContact OG-CD1 3.25Å |
| 81 | S | 95.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 82 | Y | 94.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.1 | 171.2 | 176.1 | -96.7 | 0 | 0 | 0 | 110.7 | D46 V84 S92 G93 W95 A113 M115 Y142 | D46-Y82 HydrophobicContact CB-CE2 3.81Å; D46-Y82 WeakPolarHBondContact CB-OH 3.35Å; Y82-V84 HydrophobicContact CD1-CG1 4.44Å; Y82-V84 HydrophobicContact CE1-CB 3.72Å; Y82-V84 HydrophobicContact CE1-CG1 3.43Å; Y82-V84 VanDerWaalsContact CE1-CG1 3.43Å; Y82-V84 WeakPolarHBondContact OH-CB 3.31Å; Y82-S92 WeakPolarHBondContact O-CA 3.33Å; Y82-G93 PolarHBondContact N-O 3.09Å; Y82-G93 PolarHBondContact O-N 2.93Å; Y82-W95 AromaticContact CD2-CE2 3.59Å; Y82-W95 HydrophobicContact CD2-CH2 4.24Å; Y82-W95 AromaticContact CD2-CZ2 3.38Å; Y82-W95 HydrophobicContact CD2-CZ2 3.38Å; Y82-W95 AromaticContact CD2-NE1 3.69Å; Y82-W95 HydrophobicContact CE2-CH2 4.25Å; Y82-W95 AromaticContact CE2-CZ2 3.71Å; Y82-W95 HydrophobicContact CE2-CZ2 3.71Å; Y82-W95 HydrophobicContact CG-CZ2 4.38Å; Y82-A113 HydrophobicContact CD1-CB 3.43Å; Y82-A113 VanDerWaalsContact CD1-CB 3.43Å; Y82-A113 HydrophobicContact CD2-CB 3.99Å; Y82-A113 HydrophobicContact CE1-CB 3.89Å; Y82-A113 HydrophobicContact CE2-CB 4.43Å; Y82-A113 HydrophobicContact CG-CB 3.42Å; Y82-A113 VanDerWaalsContact CG-CB 3.42Å; Y82-M115 HydrophobicContact CD1-CE 3.19Å; Y82-M115 HydrophobicContact CD1-SD 4.06Å; Y82-M115 HydrophobicContact CE1-CE 3.4Å; Y82-M115 HydrophobicContact CE1-SD 4.04Å; Y82-M115 HydrophobicContact CG-CE 4.26Å; Y82-Y142 AromaticContact CD2-CD2 3.96Å; Y82-Y142 HydrophobicContact CD2-CD2 3.96Å; Y82-Y142 HydrophobicContact CD2-CE1 4.25Å; Y82-Y142 AromaticContact CD2-CE2 3.49Å; Y82-Y142 HydrophobicContact CD2-CE2 3.49Å; Y82-Y142 VanDerWaalsContact CD2-CE2 3.49Å; Y82-Y142 AromaticContact CD2-CZ 3.65Å; Y82-Y142 HydrophobicContact CE2-CD2 4.09Å; Y82-Y142 AromaticContact CE2-CE2 3.6Å; Y82-Y142 HydrophobicContact CE2-CE2 3.6Å |
| 83 | L | 91.9 | Very high | 88.9 | Confident | 114 Ų | 114 | 69 Ų | 69 | 60% | 0.597 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.9 | 176.7 | -65.4 | 171 | 0 | 0 | 0 | 109.2 | S92 Y142 | L83-S92 VanDerWaalsContact CD2-CB 3.49Å; L83-Y142 PolarHBondContact N-OH 2.89Å; L83-Y142 PolarHBondContact O-OH 3.05Å |
| 84 | V | 86.8 | Confident | 88.8 | Confident | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 148 | 174.4 | 67.7 | 0 | 0 | 0 | 0 | 109.9 | Y82 Y86 F91 | Y82-V84 HydrophobicContact CD1-CG1 4.44Å; Y82-V84 HydrophobicContact CE1-CB 3.72Å; Y82-V84 HydrophobicContact CE1-CG1 3.43Å; Y82-V84 VanDerWaalsContact CE1-CG1 3.43Å; Y82-V84 WeakPolarHBondContact OH-CB 3.31Å; V84-Y86 HydrophobicContact CB-CE2 4.37Å; V84-Y86 HydrophobicContact CG1-CD2 4.1Å; V84-Y86 HydrophobicContact CG1-CE2 3.59Å; V84-Y86 HydrophobicContact CG2-CD2 4.33Å; V84-Y86 HydrophobicContact CG2-CE1 4.49Å; V84-Y86 HydrophobicContact CG2-CE2 3.81Å; V84-F91 HydrophobicContact CG1-CB 3.91Å; V84-F91 PolarHBondContact N-O 3.4Å; V84-F91 PolarHBondContact O-N 2.83Å; V84-F91 VanDerWaalsContact O-O 3.13Å |
| 85 | S | 82.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.5 | 173.5 | -51.8 | 0 | 0 | 0 | 0 | 108.5 | S89 N90 | S85-S89 CarbonylContact C-O 3.47Å; S85-S89 WeakPolarHBondContact CA-O 3.33Å; S85-N90 WeakPolarHBondContact CB-OD1 3.38Å; S85-N90 PolarHBondContact OG-OD1 2.85Å |
| 86 | Y | 74.1 | Confident | 88.7 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.3 | 167.1 | -64.8 | -77.8 | 0 | 0 | 0 | 108.6 | W48 V84 D88 S89 F91 I131 | W48-Y86 AromaticContact CE2-CE2 3.77Å; W48-Y86 HydrophobicContact CZ2-CD2 4.43Å; W48-Y86 AromaticContact CZ2-CE2 3.88Å; W48-Y86 HydrophobicContact CZ2-CE2 3.88Å; W48-Y86 AromaticContact NE1-CE2 3.24Å; W48-Y86 AromaticContact NE1-CZ 3.39Å; W48-Y86 PolarHBondContact NE1-OH 3.01Å; V84-Y86 HydrophobicContact CB-CE2 4.37Å; V84-Y86 HydrophobicContact CG1-CD2 4.1Å; V84-Y86 HydrophobicContact CG1-CE2 3.59Å; V84-Y86 HydrophobicContact CG2-CD2 4.33Å; V84-Y86 HydrophobicContact CG2-CE1 4.49Å; V84-Y86 HydrophobicContact CG2-CE2 3.81Å; Y86-D88 PolarHBondContact O-N 2.79Å; Y86-S89 PolarHBondContact N-O 2.83Å; Y86-S89 PolarHBondContact O-N 3.02Å; Y86-S89 VanDerWaalsContact O-O 3.12Å; Y86-F91 AromaticContact CD2-CD2 3.71Å; Y86-F91 HydrophobicContact CD2-CD2 3.71Å; Y86-F91 AromaticContact CD2-CE2 3.85Å; Y86-F91 HydrophobicContact CD2-CE2 3.85Å; Y86-F91 HydrophobicContact CG-CE2 4.4Å; Y86-I131 HydrophobicContact CE1-CD1 4.14Å; Y86-I131 HydrophobicContact CE2-CD1 4.26Å |
| 87 | L | 70 | Confident | 88.7 | Confident | 160 Ų | 160 | 57.1 Ų | 57.1 | 84% | 0.838 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -122.7 | -176 | -54.9 | 172.6 | 0 | 0 | 0 | 110.1 | ||
| 88 | D | 69.9 | Low | 88.8 | Confident | 166 Ų | 166 | 53.8 Ų | 53.8 | 89% | 0.888 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 9.3 | 179.7 | -60.3 | -40.4 | 0 | 0 | 0 | 113.2 | Y86 | Y86-D88 PolarHBondContact O-N 2.79Š|
| 89 | S | 74.8 | Confident | 88.9 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.2 | -170 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | S85 Y86 F91 N120 D122 | S85-S89 CarbonylContact C-O 3.47Å; S85-S89 WeakPolarHBondContact CA-O 3.33Å; Y86-S89 PolarHBondContact N-O 2.83Å; Y86-S89 PolarHBondContact O-N 3.02Å; Y86-S89 VanDerWaalsContact O-O 3.12Å; S89-F91 WeakPolarHBondContact O-CE2 3.46Å; S89-N120 WeakPolarHBondContact CB-ND2 3.46Å; S89-N120 PolarHBondContact OG-ND2 2.87Å; S89-D122 PolarHBondContact OG-OD2 2.98Å; S89-D122 VanDerWaalsContact OG-OD2 3.08Å |
| 90 | N | 82.9 | Confident | 89.1 | Confident | 123 Ų | 123 | 48.4 Ų | 48.4 | 66% | 0.658 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.5 | 176 | -67.1 | -45.7 | 0 | 0 | 0 | 110.6 | S85 | S85-N90 WeakPolarHBondContact CB-OD1 3.38Å; S85-N90 PolarHBondContact OG-OD1 2.85Å |
| 91 | F | 84.7 | Confident | 89.1 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143 | 177.8 | -57.5 | -92.1 | 0 | 0 | 0 | 109.3 | V84 Y86 S89 M115 I118 N120 | V84-F91 HydrophobicContact CG1-CB 3.91Å; V84-F91 PolarHBondContact N-O 3.4Å; V84-F91 PolarHBondContact O-N 2.83Å; V84-F91 VanDerWaalsContact O-O 3.13Å; Y86-F91 AromaticContact CD2-CD2 3.71Å; Y86-F91 HydrophobicContact CD2-CD2 3.71Å; Y86-F91 AromaticContact CD2-CE2 3.85Å; Y86-F91 HydrophobicContact CD2-CE2 3.85Å; Y86-F91 HydrophobicContact CG-CE2 4.4Å; S89-F91 WeakPolarHBondContact O-CE2 3.46Å; F91-M115 HydrophobicContact CB-SD 4.01Å; F91-I118 HydrophobicContact CD1-CG1 4.36Å; F91-I118 HydrophobicContact CE1-CG1 4.26Å; F91-N120 WeakPolarHBondContact CZ-ND2 3.43Å |
| 92 | S | 90.2 | Very high | 89.1 | Confident | 39 Ų | 39 | 44 Ų | 44 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.2 | -177.8 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | Y82 L83 R116 N117 | Y82-S92 WeakPolarHBondContact O-CA 3.33Å; L83-S92 VanDerWaalsContact CD2-CB 3.49Å; S92-R116 PolarHBondContact O-N 2.63Å; S92-N117 PolarHBondContact O-N 3.12Å |
| 93 | G | 92.9 | Very high | 88.9 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -157.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y82 E114 | Y82-G93 PolarHBondContact N-O 3.09Å; Y82-G93 PolarHBondContact O-N 2.93Å; G93-E114 WeakPolarHBondContact CA-O 3.36Å |
| 94 | F | 95.6 | Very high | 88.7 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.2 | 174.6 | 62.9 | -78.4 | 0 | 0 | 0 | 109.6 | N53 S80 S96 A113 E114 R116 | N53-F94 HydrophobicContact CB-CE1 4.15Å; N53-F94 HydrophobicContact CB-CZ 4.27Å; S80-F94 CarbonylContact O-C 3.46Å; S80-F94 WeakPolarHBondContact O-CA 3.18Å; F94-S96 WeakPolarHBondContact CE2-OG 3.47Å; F94-A113 CarbonylContact O-C 3.56Å; F94-A113 WeakPolarHBondContact O-CA 3.25Å; F94-E114 HydrophobicContact CD1-CB 4.06Å; F94-E114 HydrophobicContact CE1-CB 3.56Å; F94-E114 HydrophobicContact CE1-CG 4.44Å; F94-E114 HydrophobicContact CE2-CB 4.14Å; F94-E114 HydrophobicContact CE2-CG 4.36Å; F94-E114 HydrophobicContact CZ-CB 3.64Å; F94-E114 HydrophobicContact CZ-CG 4.04Å; F94-E114 WeakPolarHBondContact CZ-OE2 3.31Å; F94-E114 PolarHBondContact N-O 2.78Å; F94-E114 PolarHBondContact O-N 3.23Å; F94-R116 HydrophobicContact CD1-CG 4.1Å; F94-R116 VanDerWaalsContact CD1-CZ 3.47Å; F94-R116 VanDerWaalsContact CD1-NH2 3.31Å; F94-R116 HydrophobicContact CE1-CG 4.05Å |
| 95 | W | 97.6 | Very high | 89 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.5 | 177.9 | -73.2 | 102.9 | 0 | 0 | 0 | 111.7 | D46 D78 G79 S80 Y82 A111 A113 Y142 N144 | D46-W95 HydrophobicContact CB-CH2 4.02Å; D46-W95 VanDerWaalsContact OD1-CH2 3.31Å; D46-W95 WeakPolarHBondContact OD1-CH2 3.15Å; D78-W95 HydrophobicContact CB-CB 4.01Å; D78-W95 WeakPolarHBondContact CB-O 3.24Å; G79-W95 PolarHBondContact N-O 2.81Å; S80-W95 PolarHBondContact O-N 3.23Å; S80-W95 VanDerWaalsContact OG-CD1 3.25Å; Y82-W95 AromaticContact CD2-CE2 3.59Å; Y82-W95 HydrophobicContact CD2-CH2 4.24Å; Y82-W95 AromaticContact CD2-CZ2 3.38Å; Y82-W95 HydrophobicContact CD2-CZ2 3.38Å; Y82-W95 AromaticContact CD2-NE1 3.69Å; Y82-W95 HydrophobicContact CE2-CH2 4.25Å; Y82-W95 AromaticContact CE2-CZ2 3.71Å; Y82-W95 HydrophobicContact CE2-CZ2 3.71Å; Y82-W95 HydrophobicContact CG-CZ2 4.38Å; W95-A111 HydrophobicContact CE3-CB 4.24Å; W95-A111 HydrophobicContact CZ3-CB 4.28Å; W95-A113 HydrophobicContact CD2-CB 4.35Å; W95-A113 HydrophobicContact CE3-CB 4.3Å; W95-A113 HydrophobicContact CZ3-CB 4.49Å; W95-Y142 AromaticContact CE2-CG 3.81Å; W95-Y142 HydrophobicContact CZ2-CD1 4.42Å; W95-Y142 AromaticContact CZ2-CD2 3.63Å; W95-Y142 HydrophobicContact CZ2-CD2 3.63Å; W95-Y142 HydrophobicContact CZ2-CE2 4.37Å; W95-Y142 AromaticContact CZ2-CG 3.65Å; W95-Y142 HydrophobicContact CZ2-CG 3.65Å; W95-Y142 AromaticContact NE1-CD1 3.33Å; W95-Y142 VanDerWaalsContact NE1-CD1 3.33Å; W95-Y142 AromaticContact NE1-CE1 3.93Å; W95-Y142 AromaticContact NE1-CG 3.44Å; W95-N144 VanDerWaalsContact CE2-ND2 3.33Å; W95-N144 HydrophobicContact CH2-CB 4.26Å; W95-N144 HydrophobicContact CZ3-CB 4.21Å; W95-N144 WeakPolarHBondContact CZ3-ND2 3.49Å |
| 96 | S | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.2 | 177.7 | -74.3 | 0 | 0 | 0 | 0 | 108.9 | F94 A111 F112 E114 | F94-S96 WeakPolarHBondContact CE2-OG 3.47Å; S96-A111 CarbonylContact O-C 3.6Å; S96-A111 WeakPolarHBondContact O-CA 3.06Å; S96-F112 PolarHBondContact N-O 3.44Å; S96-F112 PolarHBondContact O-N 3.14Å; S96-E114 WeakPolarHBondContact CB-OE1 3.15Å; S96-E114 PolarHBondContact OG-OE1 3.11Å |
| 97 | V | 98.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.7 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | Y75 V76 N109 Q110 A111 | Y75-V97 WeakPolarHBondContact CA-O 3.38Å; V76-V97 HydrophobicContact CB-CB 4.12Å; V76-V97 HydrophobicContact CB-CG1 4.47Å; V76-V97 PolarHBondContact N-O 3.02Å; V76-V97 PolarHBondContact O-N 3.24Å; V97-N109 HydrophobicContact CG1-CB 4.28Å; V97-Q110 WeakPolarHBondContact CA-O 3.35Å; V97-A111 HydrophobicContact CG2-CB 4.16Å |
| 98 | D | 98.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -174.4 | 174.6 | -150.3 | -24.3 | 0 | 0 | 0 | 111.2 | V29 G30 Y67 S72 T74 Y75 Q110 F112 | V29-D98 HydrophobicContact CG1-CB 4.13Å; G30-D98 VanDerWaalsContact CA-CG 3.49Å; G30-D98 WeakPolarHBondContact CA-OD1 3.11Å; G30-D98 WeakPolarHBondContact CA-OD2 3.34Å; Y67-D98 PolarHBondContact OH-OD2 2.59Å; S72-D98 WeakPolarHBondContact CB-OD2 3.45Å; S72-D98 VanDerWaalsContact OG-CG 3.29Å; S72-D98 PolarHBondContact OG-OD1 3.12Å; S72-D98 PolarHBondContact OG-OD2 2.59Å; T74-D98 VanDerWaalsContact CB-OD1 3.31Å; T74-D98 WeakPolarHBondContact CB-OD1 3.4Å; T74-D98 PolarHBondContact OG1-OD1 2.79Å; Y75-D98 PolarHBondContact N-OD1 3.41Å; D98-Q110 PolarHBondContact N-O 2.85Å; D98-Q110 VanDerWaalsContact N-O 3.11Å; D98-Q110 PolarHBondContact O-N 2.75Å; D98-F112 HydrophobicContact CB-CE1 3.64Å; D98-F112 HydrophobicContact CB-CZ 4.04Å |
| 99 | T | 97.9 | Very high | 93 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.4 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | V29 G30 R101 V106 I107 R108 | V29-T99 CarbonylContact C-O 3.49Å; V29-T99 WeakPolarHBondContact CA-O 3.15Å; G30-T99 PolarHBondContact N-O 2.96Å; T99-R101 HydrophobicContact CG2-CG 4.38Å; T99-V106 HydrophobicContact CG2-CG1 3.6Å; T99-I107 CarbonylContact C-O 3.53Å; T99-I107 VanDerWaalsContact CA-O 3.32Å; T99-I107 WeakPolarHBondContact CA-O 3.49Å; T99-R108 HydrophobicContact CG2-CG 4.43Å |
| 100 | I | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.5 | 170.5 | -60.3 | -171 | 0 | 0 | 0 | 109.4 | I27 S28 V29 T47 F49 I102 I107 Q110 | I27-I100 HydrophobicContact CD1-CG2 3.78Å; S28-I100 CarbonylContact O-C 3.49Å; S28-I100 WeakPolarHBondContact O-CA 3.47Å; V29-I100 HydrophobicContact CG1-CG1 4.36Å; V29-I100 HydrophobicContact CG2-CG1 4.2Å; T47-I100 HydrophobicContact CG2-CD1 4.36Å; F49-I100 HydrophobicContact CE2-CD1 3.82Å; F49-I100 HydrophobicContact CE2-CG1 4.49Å; F49-I100 HydrophobicContact CZ-CD1 3.72Å; I100-I102 HydrophobicContact CG2-CG1 4.36Å; I100-I107 HydrophobicContact CB-CB 4.35Å; I100-I107 HydrophobicContact CG2-CD1 4.38Å; I100-I107 PolarHBondContact N-O 2.88Å; I100-I107 PolarHBondContact O-N 2.86Å; I100-Q110 HydrophobicContact CD1-CB 4.09Å; I100-Q110 HydrophobicContact CD1-CG 3.57Å; I100-Q110 HydrophobicContact CG1-CB 4.05Å; I100-Q110 HydrophobicContact CG1-CG 4.11Å |
| 101 | R | 96.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 34.4 Ų | 34.4 | 19% | 0.192 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.2 | 172.8 | -54.7 | 176.4 | -176.8 | 74.9 | -4.2 | 110.9 | I27 S28 G30 T31 T99 L105 V106 | I27-R101 WeakPolarHBondContact CB-O 3.35Å; S28-R101 PolarHBondContact N-O 3.03Å; S28-R101 PolarHBondContact O-N 2.9Å; G30-R101 PolarHBondContact O-NH1 3.05Å; T31-R101 PolarHBondContact OG1-NH2 3.08Å; T31-R101 VanDerWaalsContact OG1-NH2 3.09Å; T99-R101 HydrophobicContact CG2-CG 4.38Å; R101-L105 WeakPolarHBondContact CA-O 3.48Å; R101-V106 HydrophobicContact CG-CG1 4.41Å; R101-V106 HydrophobicContact CG-CG2 4.24Å |
| 102 | I | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110.2 | 174.3 | -55.5 | -179.8 | 0 | 0 | 0 | 106.5 | T11 E13 I27 F40 I100 S104 L105 I107 M147 L180 | T11-I102 HydrophobicContact CG2-CG2 4.44Å; T11-I102 VanDerWaalsContact CG2-O 3.26Å; T11-I102 WeakPolarHBondContact CG2-O 3.4Å; E13-I102 HydrophobicContact CB-CG2 3.9Å; E13-I102 HydrophobicContact CG-CG2 4.37Å; I27-I102 HydrophobicContact CG2-CD1 4.48Å; I27-I102 HydrophobicContact CG2-CG1 3.82Å; F40-I102 HydrophobicContact CE1-CD1 3.88Å; F40-I102 HydrophobicContact CZ-CD1 4.25Å; I100-I102 HydrophobicContact CG2-CG1 4.36Å; I102-S104 PolarHBondContact O-N 3.1Å; I102-S104 VanDerWaalsContact O-N 3.12Å; I102-L105 PolarHBondContact N-O 2.75Å; I102-L105 WeakPolarHBondContact O-CB 3.38Å; I102-L105 PolarHBondContact O-N 3.45Å; I102-I107 HydrophobicContact CD1-CD1 4.19Å; I102-I107 HydrophobicContact CG1-CD1 4.44Å; I102-M147 HydrophobicContact CD1-CE 3.7Å; I102-M147 HydrophobicContact CD1-SD 3.59Å; I102-M147 VanDerWaalsContact CD1-SD 3.59Å; I102-L180 HydrophobicContact CD1-CD1 3.99Å; I102-L180 HydrophobicContact CG2-CD1 4.41Å |
| 103 | G | 89.8 | Confident | 95.8 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 61% | 0.608 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -120.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 104 | S | 88.5 | Confident | 95.9 | Very high | 110 Ų | 110 | 31 Ų | 31 | 77% | 0.769 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10.1 | 176.5 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | I102 | I102-S104 PolarHBondContact O-N 3.1Å; I102-S104 VanDerWaalsContact O-N 3.12Å |
| 105 | L | 92.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.8 | -179.7 | -177.7 | 64.8 | 0 | 0 | 0 | 110.1 | T11 R101 I102 I107 I151 V156 L180 | T11-L105 HydrophobicContact CG2-CB 3.84Å; R101-L105 WeakPolarHBondContact CA-O 3.48Å; I102-L105 PolarHBondContact N-O 2.75Å; I102-L105 WeakPolarHBondContact O-CB 3.38Å; I102-L105 PolarHBondContact O-N 3.45Å; L105-I107 HydrophobicContact CD2-CD1 4.16Å; L105-I107 HydrophobicContact CD2-CG1 4.15Å; L105-I107 HydrophobicContact CG-CD1 4.5Å; L105-I107 HydrophobicContact CG-CG1 4Å; L105-I151 HydrophobicContact CD2-CD1 3.77Å; L105-I151 HydrophobicContact CD2-CG1 4.08Å; L105-I151 HydrophobicContact CD2-CG2 4.22Å; L105-V156 HydrophobicContact CD1-CG1 4.21Å; L105-V156 HydrophobicContact CD1-CG2 4.15Å; L105-L180 HydrophobicContact CD2-CD1 3.77Å |
| 106 | V | 94.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 39% | 0.394 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.6 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | T99 R101 R108 | T99-V106 HydrophobicContact CG2-CG1 3.6Å; R101-V106 HydrophobicContact CG-CG1 4.41Å; R101-V106 HydrophobicContact CG-CG2 4.24Å; V106-R108 HydrophobicContact CG1-CG 4.28Å |
| 107 | I | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 102.1 | -176.3 | -46.8 | 171 | 0 | 0 | 0 | 107.2 | T99 I100 I102 L105 Q110 M147 I151 | T99-I107 CarbonylContact C-O 3.53Å; T99-I107 VanDerWaalsContact CA-O 3.32Å; T99-I107 WeakPolarHBondContact CA-O 3.49Å; I100-I107 HydrophobicContact CB-CB 4.35Å; I100-I107 HydrophobicContact CG2-CD1 4.38Å; I100-I107 PolarHBondContact N-O 2.88Å; I100-I107 PolarHBondContact O-N 2.86Å; I102-I107 HydrophobicContact CD1-CD1 4.19Å; I102-I107 HydrophobicContact CG1-CD1 4.44Å; L105-I107 HydrophobicContact CD2-CD1 4.16Å; L105-I107 HydrophobicContact CD2-CG1 4.15Å; L105-I107 HydrophobicContact CG-CD1 4.5Å; L105-I107 HydrophobicContact CG-CG1 4Å; I107-Q110 HydrophobicContact CG2-CB 4.27Å; I107-M147 HydrophobicContact CD1-CG 3.66Å; I107-M147 HydrophobicContact CD1-SD 3.65Å; I107-I151 HydrophobicContact CD1-CD1 3.66Å; I107-I151 HydrophobicContact CD1-CG1 3.64Å; I107-I151 HydrophobicContact CG1-CD1 4.36Å; I107-I151 HydrophobicContact CG1-CG1 3.85Å; I107-I151 HydrophobicContact CG2-CG1 4.24Å |
| 108 | R | 95.7 | Very high | 92.8 | Very high | 165 Ų | 165 | 39.1 Ų | 39.1 | 62% | 0.623 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 156.8 | -178.6 | -64.2 | -179.4 | -179.6 | 138.7 | -1 | 110.8 | T99 V106 Q110 N150 | T99-R108 HydrophobicContact CG2-CG 4.43Å; V106-R108 HydrophobicContact CG1-CG 4.28Å; R108-Q110 PolarHBondContact O-N 3.35Å; R108-N150 PolarHBondContact O-ND2 2.58Å |
| 109 | N | 96.1 | Very high | 91.3 | Very high | 116 Ų | 116 | 40.6 Ų | 40.6 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 39.8 | 174.2 | -51.9 | -35.5 | 0 | 0 | 0 | 112.7 | V97 | V97-N109 HydrophobicContact CG1-CB 4.28Å |
| 110 | Q | 97.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.7 | 178 | -177.2 | 55.4 | 54.9 | 0 | 0 | 109.4 | V97 D98 I100 I107 R108 F112 I145 N150 | V97-Q110 WeakPolarHBondContact CA-O 3.35Å; D98-Q110 PolarHBondContact N-O 2.85Å; D98-Q110 VanDerWaalsContact N-O 3.11Å; D98-Q110 PolarHBondContact O-N 2.75Å; I100-Q110 HydrophobicContact CD1-CB 4.09Å; I100-Q110 HydrophobicContact CD1-CG 3.57Å; I100-Q110 HydrophobicContact CG1-CB 4.05Å; I100-Q110 HydrophobicContact CG1-CG 4.11Å; I107-Q110 HydrophobicContact CG2-CB 4.27Å; R108-Q110 PolarHBondContact O-N 3.35Å; Q110-F112 WeakPolarHBondContact O-CD1 3.17Å; Q110-I145 PolarHBondContact NE2-O 2.83Å; Q110-N150 VanDerWaalsContact OE1-CB 3.29Å; Q110-N150 PolarHBondContact OE1-ND2 2.95Å |
| 111 | A | 98 | Very high | 87.4 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 136.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W95 S96 V97 N144 | W95-A111 HydrophobicContact CE3-CB 4.24Å; W95-A111 HydrophobicContact CZ3-CB 4.28Å; S96-A111 CarbonylContact O-C 3.6Å; S96-A111 WeakPolarHBondContact O-CA 3.06Å; V97-A111 HydrophobicContact CG2-CB 4.16Å; A111-N144 HydrophobicContact CB-CB 3.88Å |
| 112 | F | 98.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158.4 | 171.3 | 60.6 | -88.4 | 0 | 0 | 0 | 109.4 | V29 T47 F49 Y67 S96 D98 Q110 E114 | V29-F112 HydrophobicContact CG1-CE1 3.98Å; V29-F112 HydrophobicContact CG1-CZ 4.01Å; T47-F112 HydrophobicContact CG2-CB 3.7Å; T47-F112 CarbonylContact O-C 3.59Å; T47-F112 WeakPolarHBondContact O-CA 3.34Å; T47-F112 WeakPolarHBondContact O-CB 3.33Å; F49-F112 HydrophobicContact CD2-CB 4.25Å; F49-F112 HydrophobicContact CD2-CD1 4.33Å; F49-F112 AromaticContact CD2-CD2 3.38Å; F49-F112 HydrophobicContact CD2-CD2 3.38Å; F49-F112 AromaticContact CD2-CE2 3.72Å; F49-F112 HydrophobicContact CD2-CE2 3.72Å; F49-F112 AromaticContact CD2-CG 3.72Å; F49-F112 HydrophobicContact CD2-CG 3.72Å; F49-F112 HydrophobicContact CD2-CZ 4.34Å; F49-F112 HydrophobicContact CE2-CB 3.97Å; F49-F112 AromaticContact CE2-CD1 3.99Å; F49-F112 HydrophobicContact CE2-CD1 3.99Å; F49-F112 AromaticContact CE2-CD2 3.83Å; F49-F112 HydrophobicContact CE2-CD2 3.83Å; F49-F112 HydrophobicContact CE2-CE1 4.47Å; F49-F112 HydrophobicContact CE2-CE2 4.33Å; F49-F112 AromaticContact CE2-CG 3.64Å; F49-F112 HydrophobicContact CE2-CG 3.64Å; F49-F112 HydrophobicContact CG-CD2 4.36Å; Y67-F112 AromaticContact CD1-CE2 3.83Å; Y67-F112 HydrophobicContact CD1-CE2 3.83Å; Y67-F112 HydrophobicContact CD1-CZ 4.09Å; Y67-F112 AromaticContact CE1-CE2 3.68Å; Y67-F112 HydrophobicContact CE1-CE2 3.68Å; Y67-F112 AromaticContact CE1-CZ 3.54Å; Y67-F112 HydrophobicContact CE1-CZ 3.54Å; Y67-F112 HydrophobicContact CE2-CZ 4.28Å; Y67-F112 HydrophobicContact CG-CE2 4.48Å; Y67-F112 AromaticContact CZ-CZ 3.65Å; S96-F112 PolarHBondContact N-O 3.44Å; S96-F112 PolarHBondContact O-N 3.14Å; D98-F112 HydrophobicContact CB-CE1 3.64Å; D98-F112 HydrophobicContact CB-CZ 4.04Å; Q110-F112 WeakPolarHBondContact O-CD1 3.17Å; F112-E114 HydrophobicContact CD2-CG 4.49Å; F112-E114 HydrophobicContact CE2-CG 3.9Å |
| 113 | A | 96.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T47 W48 F49 Y82 F94 W95 M115 | T47-A113 PolarHBondContact O-N 2.92Å; W48-A113 CarbonylContact C-O 3.39Å; W48-A113 WeakPolarHBondContact CA-O 3.48Å; W48-A113 HydrophobicContact CB-CB 4.07Å; W48-A113 VanDerWaalsContact CB-O 3.31Å; W48-A113 WeakPolarHBondContact CB-O 3.32Å; F49-A113 PolarHBondContact N-O 3.07Å; Y82-A113 HydrophobicContact CD1-CB 3.43Å; Y82-A113 VanDerWaalsContact CD1-CB 3.43Å; Y82-A113 HydrophobicContact CD2-CB 3.99Å; Y82-A113 HydrophobicContact CE1-CB 3.89Å; Y82-A113 HydrophobicContact CE2-CB 4.43Å; Y82-A113 HydrophobicContact CG-CB 3.42Å; Y82-A113 VanDerWaalsContact CG-CB 3.42Å; F94-A113 CarbonylContact O-C 3.56Å; F94-A113 WeakPolarHBondContact O-CA 3.25Å; W95-A113 HydrophobicContact CD2-CB 4.35Å; W95-A113 HydrophobicContact CE3-CB 4.3Å; W95-A113 HydrophobicContact CZ3-CB 4.49Å; A113-M115 HydrophobicContact CB-CE 3.22Å; A113-M115 PolarHBondContact O-N 2.76Å |
| 114 | E | 95 | Very high | 82.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 105.6 | 169.9 | -80.6 | -169.1 | -123.2 | 0 | 0 | 109.7 | S51 N53 Y67 S69 G93 F94 S96 F112 R116 | S51-E114 WeakPolarHBondContact CB-OE2 3.49Å; S51-E114 PolarHBondContact OG-OE2 2.86Å; N53-E114 PolarHBondContact ND2-OE2 2.9Å; Y67-E114 HydrophobicContact CD1-CG 3.91Å; Y67-E114 HydrophobicContact CE1-CG 4.11Å; S69-E114 PolarHBondContact OG-OE1 3Å; G93-E114 WeakPolarHBondContact CA-O 3.36Å; F94-E114 HydrophobicContact CD1-CB 4.06Å; F94-E114 HydrophobicContact CE1-CB 3.56Å; F94-E114 HydrophobicContact CE1-CG 4.44Å; F94-E114 HydrophobicContact CE2-CB 4.14Å; F94-E114 HydrophobicContact CE2-CG 4.36Å; F94-E114 HydrophobicContact CZ-CB 3.64Å; F94-E114 HydrophobicContact CZ-CG 4.04Å; F94-E114 WeakPolarHBondContact CZ-OE2 3.31Å; F94-E114 PolarHBondContact N-O 2.78Å; F94-E114 PolarHBondContact O-N 3.23Å; S96-E114 WeakPolarHBondContact CB-OE1 3.15Å; S96-E114 PolarHBondContact OG-OE1 3.11Å; F112-E114 HydrophobicContact CD2-CG 4.49Å; F112-E114 HydrophobicContact CE2-CG 3.9Å; E114-R116 PolarHBondContact O-N 2.94Å |
| 115 | M | 90.7 | Very high | 81.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.8 | 178.9 | -68.8 | -50.1 | 101.9 | 0 | 0 | 110.6 | W48 F49 S51 Y82 F91 A113 | W48-M115 HydrophobicContact CB-CE 3.52Å; W48-M115 HydrophobicContact CB-CG 4.07Å; W48-M115 HydrophobicContact CB-SD 4.36Å; W48-M115 HydrophobicContact CD2-CG 3.73Å; W48-M115 HydrophobicContact CE3-CB 4.28Å; W48-M115 HydrophobicContact CE3-CG 3.31Å; W48-M115 HydrophobicContact CG-CE 4.16Å; W48-M115 HydrophobicContact CG-CG 4.08Å; W48-M115 HydrophobicContact CG-SD 4.44Å; W48-M115 HydrophobicContact CZ3-CG 3.99Å; F49-M115 PolarHBondContact O-N 2.76Å; S51-M115 WeakPolarHBondContact CB-O 3.42Å; S51-M115 PolarHBondContact N-O 2.8Å; Y82-M115 HydrophobicContact CD1-CE 3.19Å; Y82-M115 HydrophobicContact CD1-SD 4.06Å; Y82-M115 HydrophobicContact CE1-CE 3.4Å; Y82-M115 HydrophobicContact CE1-SD 4.04Å; Y82-M115 HydrophobicContact CG-CE 4.26Å; F91-M115 HydrophobicContact CB-SD 4.01Å; A113-M115 HydrophobicContact CB-CE 3.22Å; A113-M115 PolarHBondContact O-N 2.76Å |
| 116 | R | 86.8 | Confident | 80.4 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -34.8 | 176.6 | -62.2 | -164.7 | 169.6 | 158.8 | 5.4 | 112.8 | N53 C54 S92 F94 E114 | N53-R116 WeakPolarHBondContact O-CD 3.41Å; N53-R116 WeakPolarHBondContact O-CG 3.45Å; N53-R116 PolarHBondContact O-NE 2.8Å; C54-R116 WeakPolarHBondContact CB-O 3.26Å; S92-R116 PolarHBondContact O-N 2.63Å; F94-R116 HydrophobicContact CD1-CG 4.1Å; F94-R116 VanDerWaalsContact CD1-CZ 3.47Å; F94-R116 VanDerWaalsContact CD1-NH2 3.31Å; F94-R116 HydrophobicContact CE1-CG 4.05Å; E114-R116 PolarHBondContact O-N 2.94Å |
| 117 | N | 77.2 | Confident | 79.8 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 83.7 | -179.1 | -171.8 | 6.4 | 0 | 0 | 0 | 109.2 | S92 | S92-N117 PolarHBondContact O-N 3.12Å |
| 118 | I | 71.4 | Confident | 79.3 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -107.7 | -17.6 | -178.8 | -160.5 | 170.4 | 0 | 0 | 0 | 113.1 | W48 A50 F66 F91 N120 Y123 | W48-I118 HydrophobicContact CH2-CD1 4.22Å; W48-I118 HydrophobicContact CZ3-CD1 3.66Å; A50-I118 HydrophobicContact CB-CD1 3.61Å; F66-I118 HydrophobicContact CE2-CG2 4.19Å; F66-I118 HydrophobicContact CZ-CG2 4.32Å; F91-I118 HydrophobicContact CD1-CG1 4.36Å; F91-I118 HydrophobicContact CE1-CG1 4.26Å; I118-N120 PolarHBondContact O-N 2.98Å; I118-N120 PolarHBondContact O-OD1 2.84Å; I118-Y123 HydrophobicContact CD1-CD2 3.51Å; I118-Y123 HydrophobicContact CD1-CE2 3.44Å; I118-Y123 VanDerWaalsContact CD1-CE2 3.44Å; I118-Y123 HydrophobicContact CD1-CG 4.32Å; I118-Y123 HydrophobicContact CG1-CD2 3.6Å; I118-Y123 HydrophobicContact CG1-CE2 4.04Å; I118-Y123 HydrophobicContact CG1-CG 4Å; I118-Y123 VanDerWaalsContact O-CB 3.32Å; I118-Y123 WeakPolarHBondContact O-CB 3.49Å | ||
| 119 | F | 65.2 | Low | 79 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | trans | -83.5 | 83.3 | -169.4 | -64.2 | -78.9 | 0 | 0 | 0 | 111.9 | D58 F60 C61 F64 F66 Y123 | D58-F119 HydrophobicContact CB-CD2 4.27Å; D58-F119 HydrophobicContact CB-CE2 4.24Å; D58-F119 WeakPolarHBondContact OD1-CD2 3.32Å; D58-F119 WeakPolarHBondContact OD1-CE2 3.37Å; D58-F119 WeakPolarHBondContact OD2-CB 3.29Å; D58-F119 WeakPolarHBondContact OD2-CD2 3.5Å; D58-F119 WeakPolarHBondContact OD2-CE2 3.17Å; D58-F119 VanDerWaalsContact OD2-CG 3.22Å; D58-F119 WeakPolarHBondContact OD2-CG 3.49Å; F60-F119 HydrophobicContact CB-CD1 3.84Å; F60-F119 HydrophobicContact CB-CE1 3.2Å; F60-F119 HydrophobicContact CB-CE2 4.43Å; F60-F119 HydrophobicContact CB-CZ 3.51Å; F60-F119 HydrophobicContact CG-CD1 4.41Å; F60-F119 HydrophobicContact CG-CE1 4.16Å; C61-F119 HydrophobicContact CB-CE2 3.78Å; C61-F119 HydrophobicContact CB-CZ 4.01Å; F64-F119 HydrophobicContact CD2-CE1 4.23Å; F64-F119 HydrophobicContact CE2-CE1 4.32Å; F66-F119 HydrophobicContact CE2-CE1 4.38Å; F66-F119 AromaticContact CE2-CE2 3.98Å; F66-F119 HydrophobicContact CE2-CE2 3.98Å; F66-F119 AromaticContact CE2-CZ 3.49Å; F66-F119 HydrophobicContact CE2-CZ 3.49Å; F66-F119 VanDerWaalsContact CE2-CZ 3.49Å; F66-F119 HydrophobicContact CZ-CE1 4.28Å; F66-F119 AromaticContact CZ-CZ 3.82Å; F66-F119 HydrophobicContact CZ-CZ 3.82Å; F119-Y123 HydrophobicContact CD1-CD1 4.19Å; F119-Y123 HydrophobicContact CE1-CD1 4.21Å; F119-Y123 HydrophobicContact CE1-CE1 4.19Å | ||
| 120 | N | 62.7 | Low | 78.8 | Confident | 33 Ų | 33 | 41 Ų | 41 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -109.8 | 169.3 | 159.7 | 62.9 | 6.6 | 0 | 0 | 0 | 110 | S89 F91 I118 D122 Y123 Y124 | S89-N120 WeakPolarHBondContact CB-ND2 3.46Å; S89-N120 PolarHBondContact OG-ND2 2.87Å; F91-N120 WeakPolarHBondContact CZ-ND2 3.43Å; I118-N120 PolarHBondContact O-N 2.98Å; I118-N120 PolarHBondContact O-OD1 2.84Å; N120-D122 PolarHBondContact O-N 2.94Å; N120-D122 VanDerWaalsContact O-N 3.15Å; N120-D122 PolarHBondContact OD1-N 2.86Å; N120-Y123 PolarHBondContact O-N 2.9Å; N120-Y123 WeakPolarHBondContact OD1-CB 3.19Å; N120-Y123 PolarHBondContact OD1-N 2.82Å; N120-Y124 WeakPolarHBondContact O-CD2 3.43Å; N120-Y124 WeakPolarHBondContact O-CE2 3.41Å |
| 121 | L | 51.3 | Low | 78.6 | Confident | 143 Ų | 143 | 41 Ų | 41 | 75% | 0.749 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -56.8 | -27.4 | 176.3 | -76.4 | 168.4 | 0 | 0 | 0 | 112.7 | N125 | L121-N125 PolarHBondContact O-ND2 2.86Å |
| 122 | D | 55 | Low | 78.5 | Confident | 71 Ų | 71 | 40.5 Ų | 40.5 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69 | -41.7 | -179.3 | -59.3 | -37.2 | 0 | 0 | 0 | 111.9 | S89 N120 Y124 N125 C126 | S89-D122 PolarHBondContact OG-OD2 2.98Å; S89-D122 VanDerWaalsContact OG-OD2 3.08Å; N120-D122 PolarHBondContact O-N 2.94Å; N120-D122 VanDerWaalsContact O-N 3.15Å; N120-D122 PolarHBondContact OD1-N 2.86Å; D122-Y124 VanDerWaalsContact C-N 3.28Å; D122-Y124 PolarHBondContact O-N 2.89Å; D122-N125 PolarHBondContact O-N 3Å; D122-C126 PolarHBondContact O-N 3.12Å; D122-C126 PolarHBondContact O-SG 2.91Å |
| 123 | Y | 60.1 | Low | 78.5 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -36.1 | 178.5 | -178.4 | -100 | 0 | 0 | 0 | 112.7 | F64 F66 I118 F119 N120 N125 C126 Y128 D129 | F64-Y123 HydrophobicContact CD2-CE1 4.5Å; F64-Y123 HydrophobicContact CE2-CE1 4.47Å; F66-Y123 HydrophobicContact CE1-CE1 4.46Å; F66-Y123 AromaticContact CE1-CZ 3.98Å; F66-Y123 WeakPolarHBondContact CE1-OH 3.32Å; F66-Y123 AromaticContact CZ-CE1 4Å; F66-Y123 HydrophobicContact CZ-CE1 4Å; F66-Y123 AromaticContact CZ-CZ 3.88Å; F66-Y123 WeakPolarHBondContact CZ-OH 3.34Å; I118-Y123 HydrophobicContact CD1-CD2 3.51Å; I118-Y123 HydrophobicContact CD1-CE2 3.44Å; I118-Y123 VanDerWaalsContact CD1-CE2 3.44Å; I118-Y123 HydrophobicContact CD1-CG 4.32Å; I118-Y123 HydrophobicContact CG1-CD2 3.6Å; I118-Y123 HydrophobicContact CG1-CE2 4.04Å; I118-Y123 HydrophobicContact CG1-CG 4Å; I118-Y123 VanDerWaalsContact O-CB 3.32Å; I118-Y123 WeakPolarHBondContact O-CB 3.49Å; F119-Y123 HydrophobicContact CD1-CD1 4.19Å; F119-Y123 HydrophobicContact CE1-CD1 4.21Å; F119-Y123 HydrophobicContact CE1-CE1 4.19Å; N120-Y123 PolarHBondContact O-N 2.9Å; N120-Y123 WeakPolarHBondContact OD1-CB 3.19Å; N120-Y123 PolarHBondContact OD1-N 2.82Å; Y123-N125 PolarHBondContact O-N 3.03Å; Y123-C126 WeakPolarHBondContact O-CB 3.45Å; Y123-C126 PolarHBondContact O-N 3.08Å; Y123-Y128 WeakPolarHBondContact CE2-O 3.47Å; Y123-D129 PolarHBondContact OH-OD1 3.03Å |
| 124 | Y | 59.9 | Low | 78.5 | Confident | 90 Ų | 90 | 40.6 Ų | 40.6 | 35% | 0.353 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -24.9 | 178 | -67.4 | -80.3 | 0 | 0 | 0 | 113.3 | F60 N120 D122 | F60-Y124 HydrophobicContact CD1-CE1 4.09Å; F60-Y124 HydrophobicContact CD2-CE1 4.4Å; F60-Y124 WeakPolarHBondContact CD2-OH 3.26Å; F60-Y124 HydrophobicContact CE1-CE1 4.01Å; F60-Y124 HydrophobicContact CE2-CE1 4.33Å; F60-Y124 WeakPolarHBondContact CE2-OH 3.46Å; F60-Y124 HydrophobicContact CG-CE1 4.28Å; F60-Y124 HydrophobicContact CZ-CE1 4.12Å; N120-Y124 WeakPolarHBondContact O-CD2 3.43Å; N120-Y124 WeakPolarHBondContact O-CE2 3.41Å; D122-Y124 VanDerWaalsContact C-N 3.28Å; D122-Y124 PolarHBondContact O-N 2.89Å |
| 125 | N | 66.2 | Low | 78.5 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -89.8 | -16.9 | 175.3 | -65.5 | -47.5 | 0 | 0 | 0 | 112.6 | Q22 L121 D122 Y123 | Q22-N125 PolarHBondContact NE2-O 3.21Å; L121-N125 PolarHBondContact O-ND2 2.86Å; D122-N125 PolarHBondContact O-N 3Å; Y123-N125 PolarHBondContact O-N 3.03Å |
| 126 | C | 74.8 | Confident | 78.7 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -76.3 | 141.7 | 172.8 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | D122 Y123 Y128 | D122-C126 PolarHBondContact O-N 3.12Å; D122-C126 PolarHBondContact O-SG 2.91Å; Y123-C126 WeakPolarHBondContact O-CB 3.45Å; Y123-C126 PolarHBondContact O-N 3.08Å; C126-Y128 HydrophobicContact CB-CD1 4.27Å; C126-Y128 HydrophobicContact CB-CE1 3.98Å; C126-Y128 HydrophobicContact CB-CE2 4.41Å | ||
| 127 | K | 81.4 | Confident | 79.1 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | trans | -107.9 | 10.1 | 175.8 | -62.3 | -56.2 | -179.4 | -160.5 | 0 | 113 | F18 Y24 R37 | F18-K127 HydrophobicContact CD1-CG 3.77Å; F18-K127 HydrophobicContact CD2-CG 3.86Å; F18-K127 HydrophobicContact CE1-CG 3.78Å; F18-K127 HydrophobicContact CE2-CD 4.39Å; F18-K127 HydrophobicContact CE2-CG 3.88Å; F18-K127 HydrophobicContact CG-CB 4.47Å; F18-K127 HydrophobicContact CG-CG 3.82Å; F18-K127 HydrophobicContact CZ-CD 4.32Å; F18-K127 VanDerWaalsContact CZ-CE 3.49Å; F18-K127 HydrophobicContact CZ-CG 3.85Å; Y24-K127 HydrophobicContact CD1-CB 4.21Å; Y24-K127 HydrophobicContact CE1-CB 3.43Å; Y24-K127 VanDerWaalsContact CE1-CB 3.43Å; Y24-K127 HydrophobicContact CE1-CG 4.46Å; R37-K127 WeakPolarHBondContact CD-O 3.34Å; R37-K127 PolarHBondContact NE-O 3.23Å; R37-K127 PolarHBondContact NH1-O 3.19Å | ||
| 128 | Y | 86 | Confident | 79.9 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 14% | 0.137 | 20% | 0.196 | C | C | . | . | trans | -114.2 | 153.6 | 175.5 | 57.6 | -97.1 | 0 | 0 | 0 | 110.9 | Q22 L39 Y123 C126 G130 I131 | Q22-Y128 HydrophobicContact CG-CE1 4.49Å; L39-Y128 HydrophobicContact CB-CD1 4.24Å; L39-Y128 HydrophobicContact CB-CD2 4.31Å; L39-Y128 HydrophobicContact CB-CE1 4.32Å; L39-Y128 HydrophobicContact CB-CE2 4.41Å; L39-Y128 HydrophobicContact CB-CG 4.22Å; L39-Y128 HydrophobicContact CD2-CE1 4.17Å; Y123-Y128 WeakPolarHBondContact CE2-O 3.47Å; C126-Y128 HydrophobicContact CB-CD1 4.27Å; C126-Y128 HydrophobicContact CB-CE1 3.98Å; C126-Y128 HydrophobicContact CB-CE2 4.41Å; Y128-G130 WeakPolarHBondContact CD2-O 3.12Å; Y128-I131 HydrophobicContact CE2-CD1 4.37Å; Y128-I131 HydrophobicContact CE2-CG1 3.98Å | ||
| 129 | D | 88.5 | Confident | 81 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -103.4 | 2.7 | -176.1 | -45.1 | -64.9 | 0 | 0 | 0 | 111.7 | L36 R37 A50 Y123 | L36-D129 HydrophobicContact CD2-CB 4.25Å; R37-D129 WeakPolarHBondContact CB-OD2 3.44Å; R37-D129 IonicContact CZ-OD1 3.53Å; R37-D129 IonicContact CZ-OD2 2.75Å; R37-D129 PolarHBondContact N-OD2 3.5Å; R37-D129 IonicContact NE-OD1 3.44Å; R37-D129 IonicContact NE-OD2 3.66Å; R37-D129 PolarHBondContact NE-OD2 2.82Å; R37-D129 IonicContact NH2-OD1 3.93Å; R37-D129 PolarHBondContact NH2-OD1 2.93Å; R37-D129 IonicContact NH2-OD2 2.7Å; R37-D129 PolarHBondContact NH2-OD2 3.4Å; R37-D129 WeakPolarHBondContact O-CA 3.24Å; R37-D129 PolarHBondContact O-N 2.98Å; A50-D129 VanDerWaalsContact CB-O 3.32Å; A50-D129 WeakPolarHBondContact CB-O 2.94Å; A50-D129 PolarHBondContact N-O 3.18Å; Y123-D129 PolarHBondContact OH-OD1 3.03Å |
| 130 | G | 91.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -179.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R37 V38 L39 W48 Y128 | R37-G130 PolarHBondContact O-N 2.57Å; V38-G130 VanDerWaalsContact CA-O 3.3Å; V38-G130 WeakPolarHBondContact CA-O 3.01Å; L39-G130 PolarHBondContact N-O 2.84Å; W48-G130 CarbonylContact O-C 3.52Å; W48-G130 WeakPolarHBondContact O-CA 3.39Å; Y128-G130 WeakPolarHBondContact CD2-O 3.12Å |
| 131 | I | 93.7 | Very high | 83.7 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.8 | 178.8 | -62.6 | -176.6 | 0 | 0 | 0 | 109 | L39 D41 S44 T47 W48 Y86 Y128 | L39-I131 HydrophobicContact CB-CG1 4.25Å; L39-I131 HydrophobicContact CD2-CD1 4.45Å; L39-I131 CarbonylContact O-C 3.32Å; L39-I131 WeakPolarHBondContact O-CA 3.17Å; D41-I131 HydrophobicContact CB-CG2 3.53Å; S44-I131 WeakPolarHBondContact OG-CG2 3.34Å; T47-I131 CarbonylContact C-O 3.58Å; T47-I131 VanDerWaalsContact CA-O 3.31Å; T47-I131 WeakPolarHBondContact CA-O 3.38Å; T47-I131 WeakPolarHBondContact CG2-O 3.43Å; W48-I131 HydrophobicContact CD2-CB 4.39Å; W48-I131 HydrophobicContact CH2-CD1 4.37Å; W48-I131 HydrophobicContact CH2-CG1 4.13Å; W48-I131 HydrophobicContact CZ2-CB 4.08Å; W48-I131 HydrophobicContact CZ2-CD1 3.36Å; W48-I131 HydrophobicContact CZ2-CG1 3.41Å; W48-I131 VanDerWaalsContact CZ2-CG1 3.41Å; W48-I131 PolarHBondContact N-O 2.61Å; W48-I131 PolarHBondContact O-N 2.93Å; Y86-I131 HydrophobicContact CE1-CD1 4.14Å; Y86-I131 HydrophobicContact CE2-CD1 4.26Å; Y128-I131 HydrophobicContact CE2-CD1 4.37Å; Y128-I131 HydrophobicContact CE2-CG1 3.98Å |
| 132 | I | 97 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 115.2 | 165.3 | -67.1 | 176.6 | 0 | 0 | 0 | 107.6 | I27 V38 L39 F40 D41 T47 F49 M134 M147 | I27-I132 HydrophobicContact CD1-CD1 3.96Å; I27-I132 HydrophobicContact CG2-CD1 4.37Å; V38-I132 HydrophobicContact CB-CD1 4.29Å; V38-I132 HydrophobicContact CB-CG1 4.26Å; V38-I132 HydrophobicContact CG2-CD1 3.7Å; V38-I132 HydrophobicContact CG2-CG1 4.19Å; L39-I132 PolarHBondContact O-N 2.9Å; F40-I132 HydrophobicContact CD1-CB 4.03Å; F40-I132 HydrophobicContact CD1-CD1 4.13Å; F40-I132 HydrophobicContact CD1-CG2 4.09Å; F40-I132 HydrophobicContact CE1-CB 4.39Å; F40-I132 HydrophobicContact CE1-CD1 3.61Å; F40-I132 HydrophobicContact CE1-CG2 4.42Å; F40-I132 HydrophobicContact CZ-CD1 4.26Å; D41-I132 PolarHBondContact N-O 2.59Å; T47-I132 HydrophobicContact CG2-CG1 4Å; F49-I132 HydrophobicContact CE1-CG1 4.24Å; F49-I132 HydrophobicContact CZ-CG1 4.38Å; I132-M134 HydrophobicContact CG2-CG 4.21Å; I132-M134 HydrophobicContact CG2-SD 4.02Å; I132-M134 PolarHBondContact O-N 2.62Å; I132-M147 HydrophobicContact CD1-SD 3.97Å; I132-M147 HydrophobicContact CG2-CB 4.07Å; I132-M147 HydrophobicContact CG2-CE 3.61Å; I132-M147 HydrophobicContact CG2-CG 4.49Å; I132-M147 HydrophobicContact CG2-SD 3.61Å |
| 133 | G | 96.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 126 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S44 D46 | S44-G133 CarbonylContact O-C 3.46Å; S44-G133 WeakPolarHBondContact O-CA 3.27Å; D46-G133 PolarHBondContact O-N 3.5Å |
| 134 | M | 96.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -124.7 | 19.3 | -175.1 | -65.4 | -72.7 | -70.2 | 0 | 0 | 111.9 | F40 D41 T42 S44 I132 M147 F162 L180 W203 | F40-M134 HydrophobicContact CB-CG 4.13Å; F40-M134 HydrophobicContact CD1-CG 4.33Å; F40-M134 HydrophobicContact CD1-SD 4.31Å; D41-M134 WeakPolarHBondContact O-CA 3.14Å; D41-M134 WeakPolarHBondContact O-CB 3.37Å; D41-M134 PolarHBondContact O-N 2.72Å; T42-M134 HydrophobicContact CG2-CB 3.93Å; S44-M134 PolarHBondContact O-N 2.83Å; S44-M134 VanDerWaalsContact O-N 3.1Å; I132-M134 HydrophobicContact CG2-CG 4.21Å; I132-M134 HydrophobicContact CG2-SD 4.02Å; I132-M134 PolarHBondContact O-N 2.62Å; M134-M147 HydrophobicContact SD-CE 3.63Å; M134-F162 HydrophobicContact CB-CZ 4.31Å; M134-F162 HydrophobicContact CE-CB 4.49Å; M134-F162 HydrophobicContact CE-CD1 3.93Å; M134-F162 HydrophobicContact CE-CD2 3.71Å; M134-F162 HydrophobicContact CE-CE1 4.01Å; M134-F162 HydrophobicContact CE-CE2 3.8Å; M134-F162 HydrophobicContact CE-CG 3.78Å; M134-F162 HydrophobicContact CE-CZ 3.95Å; M134-F162 WeakPolarHBondContact O-CZ 3.26Å; M134-L180 HydrophobicContact CE-CD2 4Å; M134-W203 PolarHBondContact O-NE1 2.95Å | ||
| 135 | S | 96.1 | Very high | 91 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -59 | 168.4 | 174.7 | 80 | 0 | 0 | 0 | 0 | 113.1 | T42 S44 T45 R137 W203 | T42-S135 WeakPolarHBondContact O-CA 3.39Å; S44-S135 WeakPolarHBondContact O-CB 3.34Å; S44-S135 PolarHBondContact O-N 2.84Å; T45-S135 PolarHBondContact OG1-OG 3.47Å; S135-R137 PolarHBondContact O-N 2.89Å; S135-R137 WeakPolarHBondContact OG-CB 3.31Å; S135-R137 PolarHBondContact OG-N 3.49Å; S135-W203 VanDerWaalsContact C-NE1 3.33Å | ||
| 136 | S | 94.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 8% | 0.077 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -77.9 | 3.3 | 177.3 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | N200 Y201 M202 F327 | S136-N200 CarbonylContact C-O 3.6Å; S136-Y201 WeakPolarHBondContact OG-CA 3.22Å; S136-Y201 PolarHBondContact OG-N 2.72Å; S136-M202 VanDerWaalsContact OG-C 3.24Å; S136-M202 WeakPolarHBondContact OG-CA 3.39Å; S136-M202 PolarHBondContact OG-N 3.19Å; S136-M202 PolarHBondContact OG-O 2.9Å; S136-M202 VanDerWaalsContact OG-O 3.11Å; S136-F327 VanDerWaalsContact O-CE2 3.23Å; S136-F327 WeakPolarHBondContact O-CE2 3.42Å |
| 137 | R | 94.7 | Very high | 93.4 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | trans | -73.2 | 139.6 | -178 | -141.1 | 177 | -133.4 | -85.1 | 7.5 | 111.1 | T45 S135 I139 P149 | T45-R137 HydrophobicContact CG2-CB 3.84Å; T45-R137 HydrophobicContact CG2-CG 4.37Å; S135-R137 PolarHBondContact O-N 2.89Å; S135-R137 WeakPolarHBondContact OG-CB 3.31Å; S135-R137 PolarHBondContact OG-N 3.49Å; R137-I139 VanDerWaalsContact CD-O 3.25Å; R137-I139 WeakPolarHBondContact CD-O 3.38Å; R137-I139 VanDerWaalsContact CG-O 3.27Å; R137-I139 WeakPolarHBondContact CG-O 3.16Å; R137-P149 WeakPolarHBondContact O-CG 3.12Å | ||
| 138 | R | 94 | Very high | 94.1 | Very high | 160 Ų | 160 | 38.2 Ų | 38.2 | 60% | 0.604 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -88.2 | -22.5 | 177.8 | -70.6 | 179 | -178.7 | -86.6 | -4.7 | 114 | P146 F327 | R138-P146 WeakPolarHBondContact O-CD 3.45Å; R138-F327 HydrophobicContact CG-CE1 3.99Å; R138-F327 HydrophobicContact CG-CZ 3.68Å |
| 139 | I | 94.2 | Very high | 94.5 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 45% | 0.446 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -146.1 | 137.8 | -178.6 | -165.3 | 168.1 | 0 | 0 | 0 | 108.5 | R137 N144 | R137-I139 VanDerWaalsContact CD-O 3.25Å; R137-I139 WeakPolarHBondContact CD-O 3.38Å; R137-I139 VanDerWaalsContact CG-O 3.27Å; R137-I139 WeakPolarHBondContact CG-O 3.16Å; I139-N144 CarbonylContact C-O 3.59Å; I139-N144 WeakPolarHBondContact CA-O 3.44Å |
| 140 | S | 92.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | trans | -77.1 | 169 | 175.5 | 79.4 | 0 | 0 | 0 | 0 | 112.1 | D46 Y142 G143 N144 | D46-S140 WeakPolarHBondContact OD1-CB 3.16Å; D46-S140 PolarHBondContact OD1-OG 2.86Å; D46-S140 VanDerWaalsContact OD1-OG 3.05Å; S140-Y142 PolarHBondContact O-N 3.38Å; S140-Y142 PolarHBondContact OG-N 2.79Å; S140-G143 PolarHBondContact O-N 2.81Å; S140-N144 PolarHBondContact N-O 3Å; S140-N144 PolarHBondContact OG-N 2.94Å; S140-N144 PolarHBondContact OG-O 2.9Å | ||
| 141 | E | 91.4 | Very high | 94.9 | Very high | 164 Ų | 164 | 38 Ų | 38 | 77% | 0.766 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.4 | 176.9 | -61 | -172.5 | 165.4 | 0 | 0 | 112.2 | G143 | E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 2.87Å |
| 142 | Y | 93.7 | Very high | 94.8 | Very high | 91 Ų | 91 | 39.9 Ų | 39.9 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 0.3 | 174.2 | -65.5 | -89.3 | 0 | 0 | 0 | 113.6 | Y82 L83 W95 S140 N144 | Y82-Y142 AromaticContact CD2-CD2 3.96Å; Y82-Y142 HydrophobicContact CD2-CD2 3.96Å; Y82-Y142 HydrophobicContact CD2-CE1 4.25Å; Y82-Y142 AromaticContact CD2-CE2 3.49Å; Y82-Y142 HydrophobicContact CD2-CE2 3.49Å; Y82-Y142 VanDerWaalsContact CD2-CE2 3.49Å; Y82-Y142 AromaticContact CD2-CZ 3.65Å; Y82-Y142 HydrophobicContact CE2-CD2 4.09Å; Y82-Y142 AromaticContact CE2-CE2 3.6Å; Y82-Y142 HydrophobicContact CE2-CE2 3.6Å; L83-Y142 PolarHBondContact N-OH 2.89Å; L83-Y142 PolarHBondContact O-OH 3.05Å; W95-Y142 AromaticContact CE2-CG 3.81Å; W95-Y142 HydrophobicContact CZ2-CD1 4.42Å; W95-Y142 AromaticContact CZ2-CD2 3.63Å; W95-Y142 HydrophobicContact CZ2-CD2 3.63Å; W95-Y142 HydrophobicContact CZ2-CE2 4.37Å; W95-Y142 AromaticContact CZ2-CG 3.65Å; W95-Y142 HydrophobicContact CZ2-CG 3.65Å; W95-Y142 AromaticContact NE1-CD1 3.33Å; W95-Y142 VanDerWaalsContact NE1-CD1 3.33Å; W95-Y142 AromaticContact NE1-CE1 3.93Å; W95-Y142 AromaticContact NE1-CG 3.44Å; S140-Y142 PolarHBondContact O-N 3.38Å; S140-Y142 PolarHBondContact OG-N 2.79Å; Y142-N144 VanDerWaalsContact C-N 3.3Å; Y142-N144 PolarHBondContact O-N 3.22Å |
| 143 | G | 94.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 82.5 | 3.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | S140 E141 | S140-G143 PolarHBondContact O-N 2.81Å; E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 2.87Å |
| 144 | N | 95.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -84 | 150.3 | 179 | -73.7 | -44.2 | 0 | 0 | 0 | 111.8 | W95 A111 I139 S140 Y142 P146 | W95-N144 VanDerWaalsContact CE2-ND2 3.33Å; W95-N144 HydrophobicContact CH2-CB 4.26Å; W95-N144 HydrophobicContact CZ3-CB 4.21Å; W95-N144 WeakPolarHBondContact CZ3-ND2 3.49Å; A111-N144 HydrophobicContact CB-CB 3.88Å; I139-N144 CarbonylContact C-O 3.59Å; I139-N144 WeakPolarHBondContact CA-O 3.44Å; S140-N144 PolarHBondContact N-O 3Å; S140-N144 PolarHBondContact OG-N 2.94Å; S140-N144 PolarHBondContact OG-O 2.9Å; Y142-N144 VanDerWaalsContact C-N 3.3Å; Y142-N144 PolarHBondContact O-N 3.22Å; N144-P146 WeakPolarHBondContact O-CD 3.31Å |
| 145 | I | 96.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 43% | 0.431 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 118.5 | 178 | -58.1 | 177.7 | 0 | 0 | 0 | 108.9 | Q110 P149 N150 | Q110-I145 PolarHBondContact NE2-O 2.83Å; I145-P149 HydrophobicContact CG2-CB 3.79Å; I145-N150 HydrophobicContact CG2-CB 3.95Å |
| 146 | P | 96.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 161.9 | 175.4 | -23.5 | 35.5 | 0 | 0 | 0 | 112.1 | T45 R138 N144 F148 P149 N150 | T45-P146 HydrophobicContact CG2-CB 4.4Å; T45-P146 HydrophobicContact CG2-CG 3.52Å; R138-P146 WeakPolarHBondContact O-CD 3.45Å; N144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-F148 PolarHBondContact O-N 2.89Å; P146-P149 HydrophobicContact CB-CG 4.22Å; P146-P149 VanDerWaalsContact O-CD 3.3Å; P146-P149 WeakPolarHBondContact O-CD 3.19Å; P146-N150 WeakPolarHBondContact O-CB 3.12Å; P146-N150 PolarHBondContact O-N 2.85Å |
| 147 | M | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | -169.8 | -172.5 | -165.9 | 72.9 | 0 | 0 | 113.5 | F40 I102 I107 I132 M134 N150 I151 | F40-M147 HydrophobicContact CE1-CE 4.48Å; I102-M147 HydrophobicContact CD1-CE 3.7Å; I102-M147 HydrophobicContact CD1-SD 3.59Å; I102-M147 VanDerWaalsContact CD1-SD 3.59Å; I107-M147 HydrophobicContact CD1-CG 3.66Å; I107-M147 HydrophobicContact CD1-SD 3.65Å; I132-M147 HydrophobicContact CD1-SD 3.97Å; I132-M147 HydrophobicContact CG2-CB 4.07Å; I132-M147 HydrophobicContact CG2-CE 3.61Å; I132-M147 HydrophobicContact CG2-CG 4.49Å; I132-M147 HydrophobicContact CG2-SD 3.61Å; M134-M147 HydrophobicContact SD-CE 3.63Å; M147-N150 WeakPolarHBondContact O-CB 3.41Å; M147-N150 PolarHBondContact O-N 3.42Å; M147-N150 VanDerWaalsContact O-N 3.12Å; M147-I151 HydrophobicContact CE-CD1 3.97Å; M147-I151 HydrophobicContact CG-CD1 4.12Å; M147-I151 HydrophobicContact CG-CG1 4.49Å; M147-I151 WeakPolarHBondContact O-CG1 3.37Å; M147-I151 PolarHBondContact O-N 2.93Å; M147-I151 HydrophobicContact SD-CD1 4.47Å |
| 148 | F | 95.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -47 | -175.9 | -167.1 | -109.6 | 0 | 0 | 0 | 112.9 | P146 N150 I151 L152 I161 F162 L180 F327 | P146-F148 PolarHBondContact O-N 2.89Å; F148-N150 VanDerWaalsContact C-N 3.3Å; F148-N150 PolarHBondContact O-N 2.79Å; F148-I151 HydrophobicContact CD2-CD1 4.3Å; F148-I151 WeakPolarHBondContact O-CB 3.47Å; F148-I151 PolarHBondContact O-N 2.91Å; F148-L152 HydrophobicContact CD1-CD1 4.16Å; F148-L152 HydrophobicContact CE1-CD1 3.84Å; F148-L152 HydrophobicContact CE1-CG 4.35Å; F148-L152 HydrophobicContact CZ-CD1 4.41Å; F148-L152 HydrophobicContact CZ-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CG 3.43Å; F148-L152 PolarHBondContact O-N 2.89Å; F148-L152 VanDerWaalsContact O-N 3.17Å; F148-I161 WeakPolarHBondContact CZ-O 3.34Å; F148-F162 AromaticContact CD1-CD1 3.9Å; F148-F162 HydrophobicContact CD1-CD1 3.9Å; F148-F162 HydrophobicContact CD1-CE1 4.01Å; F148-F162 HydrophobicContact CD2-CD1 4.01Å; F148-F162 AromaticContact CE1-CD1 3.78Å; F148-F162 HydrophobicContact CE1-CD1 3.78Å; F148-F162 HydrophobicContact CE1-CE1 4.22Å; F148-F162 HydrophobicContact CE2-CB 4.26Å; F148-F162 AromaticContact CE2-CD1 3.9Å; F148-F162 HydrophobicContact CE2-CD1 3.9Å; F148-F162 HydrophobicContact CG-CD1 4.02Å; F148-F162 HydrophobicContact CG-CE1 4.25Å; F148-F162 HydrophobicContact CZ-CB 4.5Å; F148-F162 AromaticContact CZ-CD1 3.79Å; F148-F162 HydrophobicContact CZ-CD1 3.79Å; F148-L180 HydrophobicContact CD2-CD2 4.02Å; F148-L180 HydrophobicContact CE2-CD2 4.11Å; F148-F327 HydrophobicContact CD1-CB 4.12Å; F148-F327 AromaticContact CD1-CD2 3.95Å; F148-F327 HydrophobicContact CD1-CD2 3.95Å; F148-F327 HydrophobicContact CD1-CG 4.01Å; F148-F327 HydrophobicContact CE1-CB 3.64Å; F148-F327 HydrophobicContact CE1-CD2 4.36Å; F148-F327 HydrophobicContact CE1-CG 4.01Å |
| 149 | P | 94.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.9 | -40.1 | 167.7 | -26.9 | 33.1 | 0 | 0 | 0 | 114.5 | R137 I145 P146 L152 A153 F327 | R137-P149 WeakPolarHBondContact O-CG 3.12Å; I145-P149 HydrophobicContact CG2-CB 3.79Å; P146-P149 HydrophobicContact CB-CG 4.22Å; P146-P149 VanDerWaalsContact O-CD 3.3Å; P146-P149 WeakPolarHBondContact O-CD 3.19Å; P149-L152 PolarHBondContact O-N 2.01Å; P149-A153 WeakPolarHBondContact O-CB 3.33Å; P149-A153 PolarHBondContact O-N 2.82Å; P149-F327 HydrophobicContact CG-CE2 4.24Å; P149-F327 HydrophobicContact CG-CZ 3.77Å |
| 150 | N | 95.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 178.1 | -170.8 | 27.2 | 0 | 0 | 0 | 112.1 | R108 Q110 I145 P146 M147 F148 L152 A153 N154 | R108-N150 PolarHBondContact O-ND2 2.58Å; Q110-N150 VanDerWaalsContact OE1-CB 3.29Å; Q110-N150 PolarHBondContact OE1-ND2 2.95Å; I145-N150 HydrophobicContact CG2-CB 3.95Å; P146-N150 WeakPolarHBondContact O-CB 3.12Å; P146-N150 PolarHBondContact O-N 2.85Å; M147-N150 WeakPolarHBondContact O-CB 3.41Å; M147-N150 PolarHBondContact O-N 3.42Å; M147-N150 VanDerWaalsContact O-N 3.12Å; F148-N150 VanDerWaalsContact C-N 3.3Å; F148-N150 PolarHBondContact O-N 2.79Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 3.1Å; N150-A153 PolarHBondContact O-N 2.95Å; N150-N154 PolarHBondContact O-N 3.28Å; N150-N154 VanDerWaalsContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 2.98Å; N150-N154 PolarHBondContact OD1-ND2 2.86Å |
| 151 | I | 93.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 172.5 | -67.9 | 164.2 | 0 | 0 | 0 | 110.3 | L105 I107 M147 F148 A153 N154 V156 M158 L180 | L105-I151 HydrophobicContact CD2-CD1 3.77Å; L105-I151 HydrophobicContact CD2-CG1 4.08Å; L105-I151 HydrophobicContact CD2-CG2 4.22Å; I107-I151 HydrophobicContact CD1-CD1 3.66Å; I107-I151 HydrophobicContact CD1-CG1 3.64Å; I107-I151 HydrophobicContact CG1-CD1 4.36Å; I107-I151 HydrophobicContact CG1-CG1 3.85Å; I107-I151 HydrophobicContact CG2-CG1 4.24Å; M147-I151 HydrophobicContact CE-CD1 3.97Å; M147-I151 HydrophobicContact CG-CD1 4.12Å; M147-I151 HydrophobicContact CG-CG1 4.49Å; M147-I151 WeakPolarHBondContact O-CG1 3.37Å; M147-I151 PolarHBondContact O-N 2.93Å; M147-I151 HydrophobicContact SD-CD1 4.47Å; F148-I151 HydrophobicContact CD2-CD1 4.3Å; F148-I151 WeakPolarHBondContact O-CB 3.47Å; F148-I151 PolarHBondContact O-N 2.91Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.87Å; I151-N154 PolarHBondContact O-N 2.81Å; I151-V156 HydrophobicContact CG2-CG2 4.49Å; I151-M158 HydrophobicContact CG2-SD 4.04Å; I151-L180 HydrophobicContact CD1-CD1 4.18Å |
| 152 | L | 91.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | -179.1 | -60.4 | 177.3 | 0 | 0 | 0 | 112.2 | F148 P149 N150 P160 F327 | F148-L152 HydrophobicContact CD1-CD1 4.16Å; F148-L152 HydrophobicContact CE1-CD1 3.84Å; F148-L152 HydrophobicContact CE1-CG 4.35Å; F148-L152 HydrophobicContact CZ-CD1 4.41Å; F148-L152 HydrophobicContact CZ-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CG 3.43Å; F148-L152 PolarHBondContact O-N 2.89Å; F148-L152 VanDerWaalsContact O-N 3.17Å; P149-L152 PolarHBondContact O-N 2.01Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 3.1Å; L152-P160 HydrophobicContact CD1-CB 3.85Å; L152-P160 HydrophobicContact CD2-CB 4.1Å; L152-F327 HydrophobicContact CD1-CD1 3.99Å; L152-F327 HydrophobicContact CD1-CE1 4.43Å |
| 153 | A | 89.3 | Confident | 91.4 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 62% | 0.62 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.5 | -29.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P149 N150 I151 G155 | P149-A153 WeakPolarHBondContact O-CB 3.33Å; P149-A153 PolarHBondContact O-N 2.82Å; N150-A153 PolarHBondContact O-N 2.95Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.87Å; A153-G155 PolarHBondContact O-N 3.38Å; A153-G155 VanDerWaalsContact O-N 3.13Å |
| 154 | N | 83.1 | Confident | 91.5 | Very high | 82 Ų | 82 | 31 Ų | 31 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 8.2 | 179.8 | -78.8 | -58.3 | 0 | 0 | 0 | 114.3 | N150 I151 V156 | N150-N154 PolarHBondContact O-N 3.28Å; N150-N154 VanDerWaalsContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 2.98Å; N150-N154 PolarHBondContact OD1-ND2 2.86Å; I151-N154 PolarHBondContact O-N 2.81Å; N154-V156 VanDerWaalsContact C-N 3.29Å; N154-V156 PolarHBondContact O-N 3.06Å |
| 155 | G | 68.5 | Low | 91.6 | Very high | 65 Ų | 65 | 30.3 Ų | 30.3 | 67% | 0.67 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 18.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A153 N157 | A153-G155 PolarHBondContact O-N 3.38Å; A153-G155 VanDerWaalsContact O-N 3.13Å; G155-N157 PolarHBondContact O-N 2.96Å |
| 156 | V | 77 | Confident | 91.5 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | trans | -62.7 | 126.4 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | T9 L105 I151 N154 M158 | T9-V156 WeakPolarHBondContact OG1-CG1 3.48Å; L105-V156 HydrophobicContact CD1-CG1 4.21Å; L105-V156 HydrophobicContact CD1-CG2 4.15Å; I151-V156 HydrophobicContact CG2-CG2 4.49Å; N154-V156 VanDerWaalsContact C-N 3.29Å; N154-V156 PolarHBondContact O-N 3.06Å; V156-M158 HydrophobicContact CB-CB 4.46Å; V156-M158 HydrophobicContact CG1-CB 4.02Å; V156-M158 HydrophobicContact CG1-CE 4.37Å; V156-M158 PolarHBondContact O-N 3.19Å | ||
| 157 | N | 84.6 | Confident | 91.2 | Very high | 97 Ų | 97 | 27.1 Ų | 27.1 | 52% | 0.519 | 17% | 0.173 | S | C | . | . | trans | -72.6 | 71 | 180 | -175.2 | 40.3 | 0 | 0 | 0 | 110.9 | R7 N8 T9 G155 | R7-N157 PolarHBondContact O-ND2 2.85Å; R7-N157 VanDerWaalsContact O-ND2 3.08Å; N8-N157 CarbonylContact C-O 3.47Å; N8-N157 VanDerWaalsContact CA-O 3.29Å; N8-N157 WeakPolarHBondContact CA-O 3.5Å; N8-N157 WeakPolarHBondContact CB-O 3.32Å; N8-N157 PolarHBondContact OD1-ND2 3.33Å; N8-N157 VanDerWaalsContact OD1-ND2 3.11Å; N8-N157 PolarHBondContact OD1-OD1 3.11Å; T9-N157 PolarHBondContact N-O 2.85Å; T9-N157 PolarHBondContact OG1-O 2.9Å; G155-N157 PolarHBondContact O-N 2.96Å | ||
| 158 | M | 89.5 | Confident | 90.5 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | trans | -126.6 | 138.4 | -170.9 | -175.5 | 175.7 | -77.4 | 0 | 0 | 109.5 | T9 I151 V156 L180 G181 | T9-M158 WeakPolarHBondContact O-CE 3.42Å; T9-M158 WeakPolarHBondContact O-CG 3.41Å; I151-M158 HydrophobicContact CG2-SD 4.04Å; V156-M158 HydrophobicContact CB-CB 4.46Å; V156-M158 HydrophobicContact CG1-CB 4.02Å; V156-M158 HydrophobicContact CG1-CE 4.37Å; V156-M158 PolarHBondContact O-N 3.19Å; M158-L180 HydrophobicContact CE-CB 3.98Å; M158-L180 WeakPolarHBondContact CE-O 3.4Å; M158-L180 VanDerWaalsContact SD-C 3.57Å; M158-L180 HydrophobicContact SD-CB 3.92Å; M158-G181 VanDerWaalsContact SD-CA 3.54Å; M158-G181 PolarHBondContact SD-N 3.04Å; M158-G181 VanDerWaalsContact SD-N 3.44Å | ||
| 159 | D | 92.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | trans | -63.7 | 142.8 | 170.9 | -76.2 | -28.8 | 0 | 0 | 0 | 110 | Y2 N8 I161 G181 | Y2-D159 HydrophobicContact CD1-CB 3.99Å; Y2-D159 HydrophobicContact CE1-CB 4.17Å; N8-D159 PolarHBondContact ND2-OD1 2.75Å; D159-I161 HydrophobicContact CB-CD1 4.43Å; D159-I161 HydrophobicContact CB-CG1 4.1Å; D159-I161 PolarHBondContact O-N 2.8Å; D159-G181 WeakPolarHBondContact O-CA 3.35Å | ||
| 160 | P | 94.1 | Very high | 88.3 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 22% | 0.221 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -78.1 | 51.7 | -178.2 | 35.5 | -38.7 | 0 | 0 | 0 | 111.5 | L152 F327 G328 | L152-P160 HydrophobicContact CD1-CB 3.85Å; L152-P160 HydrophobicContact CD2-CB 4.1Å; P160-F327 WeakPolarHBondContact O-CA 2.98Å; P160-F327 WeakPolarHBondContact O-CB 3.38Å; P160-F327 PolarHBondContact O-N 2.85Å; P160-G328 PolarHBondContact O-N 2.92Å; P160-G328 VanDerWaalsContact O-N 3.08Å |
| 161 | I | 96 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.2 | 178.5 | 72.9 | -180 | 0 | 0 | 0 | 110.2 | Y2 F148 D159 G181 F183 V324 F325 D326 | Y2-I161 HydrophobicContact CD2-CD1 4.06Å; Y2-I161 HydrophobicContact CD2-CG2 3.76Å; Y2-I161 HydrophobicContact CE1-CG2 4.36Å; Y2-I161 HydrophobicContact CE2-CG2 3.31Å; Y2-I161 HydrophobicContact CG-CD1 4.15Å; Y2-I161 HydrophobicContact CG-CG2 4.43Å; F148-I161 WeakPolarHBondContact CZ-O 3.34Å; D159-I161 HydrophobicContact CB-CD1 4.43Å; D159-I161 HydrophobicContact CB-CG1 4.1Å; D159-I161 PolarHBondContact O-N 2.8Å; I161-G181 WeakPolarHBondContact O-CA 3.15Å; I161-G181 PolarHBondContact O-N 3.14Å; I161-F183 HydrophobicContact CD1-CD1 3.92Å; I161-F183 HydrophobicContact CD1-CE1 4.27Å; I161-V324 HydrophobicContact CB-CG1 4.31Å; I161-V324 HydrophobicContact CD1-CG1 4.36Å; I161-F325 VanDerWaalsContact CA-O 3.25Å; I161-F325 WeakPolarHBondContact CA-O 3.46Å; I161-D326 HydrophobicContact CG2-CB 4.01Å |
| 162 | F | 97.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 162.1 | 162.2 | 59.2 | -90.4 | 0 | 0 | 0 | 109.9 | T42 M134 F148 F164 L178 V179 L180 W203 F325 | T42-F162 HydrophobicContact CG2-CE2 3.96Å; T42-F162 HydrophobicContact CG2-CZ 4.34Å; M134-F162 HydrophobicContact CB-CZ 4.31Å; M134-F162 HydrophobicContact CE-CB 4.49Å; M134-F162 HydrophobicContact CE-CD1 3.93Å; M134-F162 HydrophobicContact CE-CD2 3.71Å; M134-F162 HydrophobicContact CE-CE1 4.01Å; M134-F162 HydrophobicContact CE-CE2 3.8Å; M134-F162 HydrophobicContact CE-CG 3.78Å; M134-F162 HydrophobicContact CE-CZ 3.95Å; M134-F162 WeakPolarHBondContact O-CZ 3.26Å; F148-F162 AromaticContact CD1-CD1 3.9Å; F148-F162 HydrophobicContact CD1-CD1 3.9Å; F148-F162 HydrophobicContact CD1-CE1 4.01Å; F148-F162 HydrophobicContact CD2-CD1 4.01Å; F148-F162 AromaticContact CE1-CD1 3.78Å; F148-F162 HydrophobicContact CE1-CD1 3.78Å; F148-F162 HydrophobicContact CE1-CE1 4.22Å; F148-F162 HydrophobicContact CE2-CB 4.26Å; F148-F162 AromaticContact CE2-CD1 3.9Å; F148-F162 HydrophobicContact CE2-CD1 3.9Å; F148-F162 HydrophobicContact CG-CD1 4.02Å; F148-F162 HydrophobicContact CG-CE1 4.25Å; F148-F162 HydrophobicContact CZ-CB 4.5Å; F148-F162 AromaticContact CZ-CD1 3.79Å; F148-F162 HydrophobicContact CZ-CD1 3.79Å; F162-F164 HydrophobicContact CD2-CD2 4.14Å; F162-F164 AromaticContact CD2-CE2 3.71Å; F162-F164 HydrophobicContact CD2-CE2 3.71Å; F162-F164 HydrophobicContact CE2-CD2 4.35Å; F162-F164 AromaticContact CE2-CE2 3.78Å; F162-F164 HydrophobicContact CE2-CE2 3.78Å; F162-L178 HydrophobicContact CB-CD1 4.18Å; F162-L178 HydrophobicContact CD2-CD1 4.28Å; F162-V179 CarbonylContact C-O 3.49Å; F162-V179 WeakPolarHBondContact CA-O 3.14Å; F162-V179 WeakPolarHBondContact CB-O 3.2Å; F162-L180 HydrophobicContact CB-CD2 4.02Å; F162-W203 AromaticContact CE1-CZ2 3.8Å; F162-W203 HydrophobicContact CE1-CZ2 3.8Å; F162-W203 AromaticContact CZ-CE2 3.97Å; F162-W203 AromaticContact CZ-CZ2 3.8Å; F162-W203 HydrophobicContact CZ-CZ2 3.8Å; F162-W203 AromaticContact CZ-NE1 3.83Å; F162-F325 HydrophobicContact CD1-CB 4.18Å; F162-F325 HydrophobicContact CD2-CB 3.85Å; F162-F325 AromaticContact CD2-CD2 3.71Å; F162-F325 HydrophobicContact CD2-CD2 3.71Å; F162-F325 HydrophobicContact CD2-CG 4.06Å; F162-F325 HydrophobicContact CE1-CB 3.78Å; F162-F325 HydrophobicContact CE2-CB 3.4Å; F162-F325 HydrophobicContact CE2-CD1 4.23Å; F162-F325 AromaticContact CE2-CD2 3.3Å; F162-F325 HydrophobicContact CE2-CD2 3.3Å; F162-F325 HydrophobicContact CE2-CE2 4.08Å; F162-F325 AromaticContact CE2-CG 3.38Å; F162-F325 HydrophobicContact CE2-CG 3.38Å; F162-F325 HydrophobicContact CG-CB 4.22Å; F162-F325 HydrophobicContact CZ-CB 3.36Å; F162-F325 HydrophobicContact CZ-CD1 4.31Å; F162-F325 HydrophobicContact CZ-CD2 4.1Å; F162-F325 AromaticContact CZ-CG 3.69Å; F162-F325 HydrophobicContact CZ-CG 3.69Å; F162-F325 PolarHBondContact N-O 2.9Å; F162-F325 PolarHBondContact O-N 3.06Å |
| 163 | S | 97.9 | Very high | 85 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151.9 | -175.6 | 67.6 | 0 | 0 | 0 | 0 | 113 | L178 V179 G182 F183 Y322 T323 | S163-L178 WeakPolarHBondContact O-CA 3.46Å; S163-V179 PolarHBondContact N-O 3.33Å; S163-V179 PolarHBondContact O-N 3.38Å; S163-V179 WeakPolarHBondContact OG-CB 2.91Å; S163-G182 WeakPolarHBondContact CB-O 3.35Å; S163-G182 PolarHBondContact OG-O 2.82Å; S163-G182 VanDerWaalsContact OG-O 3.09Å; S163-F183 WeakPolarHBondContact OG-CA 3.48Å; S163-Y322 WeakPolarHBondContact CB-OH 3.18Å; S163-Y322 PolarHBondContact OG-OH 3.27Å; S163-T323 CarbonylContact C-O 3.52Å; S163-T323 WeakPolarHBondContact CA-O 3.35Å; S163-T323 WeakPolarHBondContact CB-O 3.46Å |
| 164 | F | 97.8 | Very high | 84.6 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134 | 177.1 | -75.6 | -91.7 | 0 | 0 | 0 | 112.1 | F40 T42 F162 L166 E177 L178 T227 M318 T323 F325 | F40-F164 HydrophobicContact CB-CE1 4.12Å; F40-F164 HydrophobicContact CB-CZ 3.73Å; T42-F164 HydrophobicContact CG2-CE2 4.17Å; F162-F164 HydrophobicContact CD2-CD2 4.14Å; F162-F164 AromaticContact CD2-CE2 3.71Å; F162-F164 HydrophobicContact CD2-CE2 3.71Å; F162-F164 HydrophobicContact CE2-CD2 4.35Å; F162-F164 AromaticContact CE2-CE2 3.78Å; F162-F164 HydrophobicContact CE2-CE2 3.78Å; F164-L166 HydrophobicContact CD1-CD2 4.33Å; F164-E177 WeakPolarHBondContact CA-O 3.28Å; F164-L178 HydrophobicContact CD1-CB 4.36Å; F164-L178 HydrophobicContact CD2-CD1 4.28Å; F164-L178 HydrophobicContact CE1-CB 4.03Å; F164-L178 HydrophobicContact CE1-CD1 4.09Å; F164-L178 HydrophobicContact CE1-CG 4.46Å; F164-L178 HydrophobicContact CE2-CD1 3.8Å; F164-L178 HydrophobicContact CZ-CB 4.47Å; F164-L178 HydrophobicContact CZ-CD1 3.7Å; F164-L178 HydrophobicContact CZ-CD2 4.43Å; F164-L178 HydrophobicContact CZ-CG 4.42Å; F164-T227 HydrophobicContact CD1-CG2 4.08Å; F164-T227 HydrophobicContact CD2-CG2 3.97Å; F164-T227 HydrophobicContact CE1-CG2 4.11Å; F164-T227 HydrophobicContact CE2-CG2 3.98Å; F164-T227 HydrophobicContact CG-CG2 3.98Å; F164-T227 HydrophobicContact CZ-CG2 4.04Å; F164-M318 HydrophobicContact CB-CE 3.92Å; F164-M318 HydrophobicContact CG-CE 4.39Å; F164-T323 PolarHBondContact N-O 3.34Å; F164-T323 PolarHBondContact O-N 2.84Å; F164-F325 HydrophobicContact CD2-CD2 4.05Å; F164-F325 AromaticContact CD2-CE2 3.67Å; F164-F325 HydrophobicContact CD2-CE2 3.67Å; F164-F325 HydrophobicContact CE2-CD2 4.5Å; F164-F325 HydrophobicContact CE2-CE2 4.25Å |
| 165 | Y | 96.4 | Very high | 84.8 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.2 | 158.9 | 165.7 | -109.8 | 0 | 0 | 0 | 108.9 | N167 G176 E177 Y187 Y322 A337 | Y165-N167 HydrophobicContact CE1-CB 3.99Å; Y165-G176 CarbonylContact O-C 3.56Å; Y165-G176 WeakPolarHBondContact O-CA 3.45Å; Y165-E177 PolarHBondContact N-O 2.87Å; Y165-E177 PolarHBondContact O-N 3.11Å; Y165-Y187 AromaticContact CD1-CD1 3.78Å; Y165-Y187 HydrophobicContact CD1-CD1 3.78Å; Y165-Y187 AromaticContact CD1-CD2 3.96Å; Y165-Y187 HydrophobicContact CD1-CD2 3.96Å; Y165-Y187 HydrophobicContact CD1-CE1 4.14Å; Y165-Y187 HydrophobicContact CD1-CE2 4.3Å; Y165-Y187 AromaticContact CD1-CG 3.71Å; Y165-Y187 HydrophobicContact CD1-CG 3.71Å; Y165-Y187 HydrophobicContact CD2-CD1 4.35Å; Y165-Y187 HydrophobicContact CD2-CG 4.15Å; Y165-Y187 AromaticContact CE1-CD1 3.61Å; Y165-Y187 HydrophobicContact CE1-CD1 3.61Å; Y165-Y187 AromaticContact CE1-CE1 3.81Å; Y165-Y187 HydrophobicContact CE1-CE1 3.81Å; Y165-Y187 HydrophobicContact CE1-CG 4.05Å; Y165-Y187 HydrophobicContact CE2-CD1 4.2Å; Y165-Y187 HydrophobicContact CE2-CG 4.45Å; Y165-Y187 HydrophobicContact CG-CD1 4.15Å; Y165-Y187 HydrophobicContact CG-CD2 4.18Å; Y165-Y187 AromaticContact CG-CG 3.76Å; Y165-Y187 HydrophobicContact CG-CG 3.76Å; Y165-Y187 AromaticContact CZ-CD1 3.83Å; Y165-Y322 HydrophobicContact CD2-CD2 4.39Å; Y165-A337 HydrophobicContact CD2-CB 4.27Å; Y165-A337 HydrophobicContact CE2-CB 4.33Å |
| 166 | L | 94.7 | Very high | 86 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.4 | 177.1 | -54.6 | -175.8 | 0 | 0 | 0 | 109.9 | Y23 F164 D315 M318 R319 | Y23-L166 HydrophobicContact CD1-CB 4.39Å; Y23-L166 HydrophobicContact CD1-CD2 3.84Å; Y23-L166 HydrophobicContact CD2-CD1 4.06Å; Y23-L166 HydrophobicContact CD2-CD2 4.23Å; Y23-L166 HydrophobicContact CE1-CB 3.95Å; Y23-L166 HydrophobicContact CE1-CD2 4.27Å; Y23-L166 HydrophobicContact CE2-CB 4.37Å; Y23-L166 HydrophobicContact CE2-CD1 4.08Å; Y23-L166 HydrophobicContact CG-CD1 4.48Å; Y23-L166 HydrophobicContact CG-CD2 3.81Å; F164-L166 HydrophobicContact CD1-CD2 4.33Å; L166-D315 HydrophobicContact CD1-CB 4.18Å; L166-D315 VanDerWaalsContact CD1-OD1 3.25Å; L166-D315 WeakPolarHBondContact CD1-OD1 3.28Å; L166-M318 HydrophobicContact CD1-CB 3.68Å; L166-M318 HydrophobicContact CG-CB 4.36Å; L166-R319 HydrophobicContact CB-CB 4.49Å; L166-R319 HydrophobicContact CB-CG 3.65Å; L166-R319 HydrophobicContact CD1-CG 4.39Å |
| 167 | N | 89.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | trans | -80.8 | 140.4 | 178.5 | -168.9 | -12.1 | 0 | 0 | 0 | 110.3 | N17 Y23 Y165 K169 S172 I174 G175 | N17-N167 PolarHBondContact ND2-O 3.02Å; Y23-N167 PolarHBondContact OH-O 3.32Å; Y165-N167 HydrophobicContact CE1-CB 3.99Å; N167-K169 PolarHBondContact OD1-N 3.33Å; N167-S172 WeakPolarHBondContact ND2-CB 3.31Å; N167-S172 PolarHBondContact ND2-OG 3.13Å; N167-I174 WeakPolarHBondContact CB-O 3.44Å; N167-I174 PolarHBondContact ND2-O 1.95Å; N167-G175 WeakPolarHBondContact CA-O 3.11Å; N167-G175 WeakPolarHBondContact CB-O 3.08Å; N167-G175 PolarHBondContact N-O 3.06Å | ||
| 168 | R | 82 | Confident | 87.4 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | trans | -90.4 | -14.8 | -179.5 | -60.4 | -176 | 64.9 | -123.4 | -23.4 | 113.9 | N20 S170 R282 R319 A340 | N20-R168 PolarHBondContact ND2-O 3.39Å; N20-R168 WeakPolarHBondContact OD1-CA 3.3Å; N20-R168 PolarHBondContact OD1-O 2.6Å; N20-R168 VanDerWaalsContact OD1-O 3.13Å; R168-S170 PolarHBondContact O-N 2.8Å; R168-R282 PolarHBondContact NH1-O 3.29Å; R168-R282 VanDerWaalsContact NH1-O 3.15Å; R168-R282 PolarHBondContact NH2-O 3.39Å; R168-R319 HydrophobicContact CG-CB 3.61Å; R168-R319 HydrophobicContact CG-CG 3.97Å; R168-A340 PolarHBondContact NH1-OXT 3.08Å | ||
| 169 | K | 77.4 | Confident | 87.7 | Confident | 152 Ų | 152 | 32.6 Ų | 32.6 | 66% | 0.661 | 21% | 0.206 | S | C | * | . | trans | -81.7 | 95.9 | -179.6 | -68.4 | -176.6 | -177.8 | 179.6 | 0 | 109.4 | N167 G171 S172 | N167-K169 PolarHBondContact OD1-N 3.33Å; K169-G171 PolarHBondContact O-N 2.99Å; K169-S172 WeakPolarHBondContact O-CB 3.35Å; K169-S172 PolarHBondContact O-N 3.38Å | ||
| 170 | S | 65.6 | Low | 87.8 | Confident | 74 Ų | 74 | 31.2 Ų | 31.2 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 131.5 | 170.5 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | R168 S172 | R168-S170 PolarHBondContact O-N 2.8Å; S170-S172 VanDerWaalsContact C-N 3.32Å |
| 171 | G | 66.4 | Low | 87.8 | Confident | 78 Ų | 78 | 29.8 Ų | 29.8 | 80% | 0.804 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 4.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K169 | K169-G171 PolarHBondContact O-N 2.99Š|
| 172 | S | 72.7 | Confident | 87.8 | Confident | 50 Ų | 50 | 30.1 Ų | 30.1 | 35% | 0.35 | 19% | 0.193 | S | C | . | . | trans | -63.9 | 146.2 | 166.4 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | N167 K169 S170 I174 | N167-S172 WeakPolarHBondContact ND2-CB 3.31Å; N167-S172 PolarHBondContact ND2-OG 3.13Å; K169-S172 WeakPolarHBondContact O-CB 3.35Å; K169-S172 PolarHBondContact O-N 3.38Å; S170-S172 VanDerWaalsContact C-N 3.32Å; S172-I174 PolarHBondContact O-N 3.49Å; S172-I174 VanDerWaalsContact O-N 3.11Å | ||
| 173 | A | 73.4 | Confident | 87.7 | Confident | 101 Ų | 101 | 31 Ų | 31 | 84% | 0.835 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -55.8 | -27.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 174 | I | 79.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 32.2 Ų | 32.2 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -116.6 | 107.6 | 176.2 | -57.6 | 176.5 | 0 | 0 | 0 | 107.8 | N167 S172 G176 Y187 | N167-I174 WeakPolarHBondContact CB-O 3.44Å; N167-I174 PolarHBondContact ND2-O 1.95Å; S172-I174 PolarHBondContact O-N 3.49Å; S172-I174 VanDerWaalsContact O-N 3.11Å; I174-G176 WeakPolarHBondContact CG2-O 3.35Å; I174-Y187 WeakPolarHBondContact CD1-OH 3.34Å | ||
| 175 | G | 88.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -73.7 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | P15 N17 Y23 N167 | P15-G175 CarbonylContact O-C 3.55Å; P15-G175 VanDerWaalsContact O-C 3.23Å; P15-G175 WeakPolarHBondContact O-CA 3.45Å; P15-G175 PolarHBondContact O-N 3.08Å; N17-G175 VanDerWaalsContact CB-CA 3.46Å; Y23-G175 VanDerWaalsContact CE1-O 3.23Å; Y23-G175 WeakPolarHBondContact CE1-O 3.41Å; N167-G175 WeakPolarHBondContact CA-O 3.11Å; N167-G175 WeakPolarHBondContact CB-O 3.08Å; N167-G175 PolarHBondContact N-O 3.06Å |
| 176 | G | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -174.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q14 P15 Y165 I174 | Q14-G176 WeakPolarHBondContact CA-O 3.19Å; P15-G176 PolarHBondContact O-N 3.33Å; Y165-G176 CarbonylContact O-C 3.56Å; Y165-G176 WeakPolarHBondContact O-CA 3.45Å; I174-G176 WeakPolarHBondContact CG2-O 3.35Å |
| 177 | E | 95.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 126.4 | 172.6 | -171.7 | -178 | -111.6 | 0 | 0 | 109.5 | E13 F164 Y165 V179 N184 Y187 | E13-E177 WeakPolarHBondContact O-CA 3.36Å; F164-E177 WeakPolarHBondContact CA-O 3.28Å; Y165-E177 PolarHBondContact N-O 2.87Å; Y165-E177 PolarHBondContact O-N 3.11Å; E177-V179 HydrophobicContact CG-CG2 3.9Å; E177-V179 WeakPolarHBondContact OE2-CG2 3.38Å; E177-N184 PolarHBondContact OE1-ND2 3.16Å; E177-N184 VanDerWaalsContact OE1-ND2 3.13Å; E177-N184 WeakPolarHBondContact OE2-CB 3.3Å; E177-N184 PolarHBondContact OE2-ND2 2.89Å; E177-Y187 HydrophobicContact CB-CD2 4.42Å; E177-Y187 HydrophobicContact CB-CE2 4.18Å; E177-Y187 VanDerWaalsContact OE2-CD2 3.3Å; E177-Y187 WeakPolarHBondContact OE2-CD2 3.35Å; E177-Y187 WeakPolarHBondContact OE2-CE2 2.91Å |
| 178 | L | 96.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.9 | 160.4 | 165.5 | 62.1 | 0 | 0 | 0 | 107.5 | T12 E13 F40 F162 S163 F164 L180 | T12-L178 CarbonylContact C-O 3.56Å; T12-L178 VanDerWaalsContact CA-O 3.26Å; T12-L178 WeakPolarHBondContact CA-O 3.43Å; E13-L178 HydrophobicContact CB-CB 4.33Å; E13-L178 HydrophobicContact CB-CD2 4.48Å; E13-L178 PolarHBondContact N-O 3.06Å; E13-L178 PolarHBondContact O-N 2.92Å; F40-L178 HydrophobicContact CD1-CD2 3.64Å; F40-L178 HydrophobicContact CD2-CD2 3.9Å; F40-L178 HydrophobicContact CE1-CD2 3.65Å; F40-L178 HydrophobicContact CE2-CD2 3.91Å; F40-L178 HydrophobicContact CG-CD2 3.77Å; F40-L178 HydrophobicContact CZ-CD2 3.79Å; F162-L178 HydrophobicContact CB-CD1 4.18Å; F162-L178 HydrophobicContact CD2-CD1 4.28Å; S163-L178 WeakPolarHBondContact O-CA 3.46Å; F164-L178 HydrophobicContact CD1-CB 4.36Å; F164-L178 HydrophobicContact CD2-CD1 4.28Å; F164-L178 HydrophobicContact CE1-CB 4.03Å; F164-L178 HydrophobicContact CE1-CD1 4.09Å; F164-L178 HydrophobicContact CE1-CG 4.46Å; F164-L178 HydrophobicContact CE2-CD1 3.8Å; F164-L178 HydrophobicContact CZ-CB 4.47Å; F164-L178 HydrophobicContact CZ-CD1 3.7Å; F164-L178 HydrophobicContact CZ-CD2 4.43Å; F164-L178 HydrophobicContact CZ-CG 4.42Å; L178-L180 HydrophobicContact CD1-CD2 4.15Å; L178-L180 HydrophobicContact CD2-CD2 4.27Å; L178-L180 HydrophobicContact CD2-CG 4.39Å; L178-L180 HydrophobicContact CG-CD2 4.38Å; L178-L180 HydrophobicContact CG-CG 4.36Å |
| 179 | V | 95.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.2 | 168.9 | -169.7 | 0 | 0 | 0 | 0 | 108.3 | T12 F162 S163 E177 N184 | T12-V179 HydrophobicContact CG2-CG1 4.31Å; T12-V179 HydrophobicContact CG2-CG2 4.18Å; F162-V179 CarbonylContact C-O 3.49Å; F162-V179 WeakPolarHBondContact CA-O 3.14Å; F162-V179 WeakPolarHBondContact CB-O 3.2Å; S163-V179 PolarHBondContact N-O 3.33Å; S163-V179 PolarHBondContact O-N 3.38Å; S163-V179 WeakPolarHBondContact OG-CB 2.91Å; E177-V179 HydrophobicContact CG-CG2 3.9Å; E177-V179 WeakPolarHBondContact OE2-CG2 3.38Å; V179-N184 HydrophobicContact CG2-CB 4.31Å |
| 180 | L | 95.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.7 | 166.9 | -60.7 | 172.4 | 0 | 0 | 0 | 107.9 | S10 T11 I102 L105 M134 F148 I151 M158 F162 L178 | S10-L180 CarbonylContact C-O 3.55Å; S10-L180 VanDerWaalsContact CA-O 3.24Å; S10-L180 WeakPolarHBondContact CA-O 3.28Å; T11-L180 PolarHBondContact N-O 2.92Å; T11-L180 PolarHBondContact O-N 3.31Å; I102-L180 HydrophobicContact CD1-CD1 3.99Å; I102-L180 HydrophobicContact CG2-CD1 4.41Å; L105-L180 HydrophobicContact CD2-CD1 3.77Å; M134-L180 HydrophobicContact CE-CD2 4Å; F148-L180 HydrophobicContact CD2-CD2 4.02Å; F148-L180 HydrophobicContact CE2-CD2 4.11Å; I151-L180 HydrophobicContact CD1-CD1 4.18Å; M158-L180 HydrophobicContact CE-CB 3.98Å; M158-L180 WeakPolarHBondContact CE-O 3.4Å; M158-L180 VanDerWaalsContact SD-C 3.57Å; M158-L180 HydrophobicContact SD-CB 3.92Å; F162-L180 HydrophobicContact CB-CD2 4.02Å; L178-L180 HydrophobicContact CD1-CD2 4.15Å; L178-L180 HydrophobicContact CD2-CD2 4.27Å; L178-L180 HydrophobicContact CD2-CG 4.39Å; L178-L180 HydrophobicContact CG-CD2 4.38Å; L178-L180 HydrophobicContact CG-CG 4.36Å |
| 181 | G | 94.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 13.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | M158 D159 I161 | M158-G181 VanDerWaalsContact SD-CA 3.54Å; M158-G181 PolarHBondContact SD-N 3.04Å; M158-G181 VanDerWaalsContact SD-N 3.44Å; D159-G181 WeakPolarHBondContact O-CA 3.35Å; I161-G181 WeakPolarHBondContact O-CA 3.15Å; I161-G181 PolarHBondContact O-N 3.14Å |
| 182 | G | 94.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -178.6 | -164.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S163 | S163-G182 WeakPolarHBondContact CB-O 3.35Å; S163-G182 PolarHBondContact OG-O 2.82Å; S163-G182 VanDerWaalsContact OG-O 3.09Å |
| 183 | F | 95.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | trans | -148.9 | 157.2 | 172 | 49.9 | -100.6 | 0 | 0 | 0 | 108.6 | W4 I161 S163 F188 F192 Y322 V324 | W4-F183 HydrophobicContact CB-CD2 4.23Å; W4-F183 HydrophobicContact CB-CE2 3.68Å; W4-F183 HydrophobicContact CB-CZ 4.13Å; W4-F183 PolarHBondContact NE1-O 3.36Å; I161-F183 HydrophobicContact CD1-CD1 3.92Å; I161-F183 HydrophobicContact CD1-CE1 4.27Å; S163-F183 WeakPolarHBondContact OG-CA 3.48Å; F183-F188 AromaticContact CD2-CE1 3.62Å; F183-F188 HydrophobicContact CD2-CE1 3.62Å; F183-F188 AromaticContact CD2-CZ 3.85Å; F183-F188 HydrophobicContact CD2-CZ 3.85Å; F183-F188 HydrophobicContact CE2-CE1 4.23Å; F183-F188 AromaticContact CE2-CZ 3.98Å; F183-F188 HydrophobicContact CE2-CZ 3.98Å; F183-F188 HydrophobicContact CG-CE1 4.41Å; F183-F192 HydrophobicContact CD1-CE2 4.44Å; F183-F192 HydrophobicContact CD2-CE2 4.18Å; F183-F192 HydrophobicContact CD2-CZ 4.49Å; F183-F192 HydrophobicContact CE2-CE2 4.25Å; F183-F192 HydrophobicContact CG-CE2 4.26Å; F183-F192 HydrophobicContact CG-CZ 4.35Å; F183-F192 HydrophobicContact CZ-CE2 4.43Å; F183-Y322 VanDerWaalsContact CA-OH 3.32Å; F183-Y322 WeakPolarHBondContact CA-OH 3.37Å; F183-Y322 HydrophobicContact CB-CE1 3.84Å; F183-Y322 WeakPolarHBondContact CB-OH 3.4Å; F183-V324 HydrophobicContact CB-CG2 4.04Å; F183-V324 HydrophobicContact CD1-CG2 4.36Å; F183-V324 HydrophobicContact CG-CG2 4.48Å | ||
| 184 | N | 94.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | trans | -107.1 | 112.6 | -178.3 | -175.1 | -14.1 | 0 | 0 | 0 | 110.9 | E177 V179 Q186 Y187 F188 Y322 | E177-N184 PolarHBondContact OE1-ND2 3.16Å; E177-N184 VanDerWaalsContact OE1-ND2 3.13Å; E177-N184 WeakPolarHBondContact OE2-CB 3.3Å; E177-N184 PolarHBondContact OE2-ND2 2.89Å; V179-N184 HydrophobicContact CG2-CB 4.31Å; N184-Q186 PolarHBondContact O-N 2.86Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 VanDerWaalsContact OD1-CB 3.24Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; N184-Q186 PolarHBondContact OD1-N 2.54Å; N184-Y187 HydrophobicContact CB-CD2 3.92Å; N184-Y187 HydrophobicContact CB-CE2 4.46Å; N184-Y187 VanDerWaalsContact ND2-CE2 3.28Å; N184-Y187 WeakPolarHBondContact ND2-CE2 2.77Å; N184-Y187 PolarHBondContact O-N 3.32Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; N184-F188 WeakPolarHBondContact O-CD1 3.49Å; N184-F188 WeakPolarHBondContact O-CE1 3.33Å; N184-Y322 PolarHBondContact N-OH 2.9Å | ||
| 185 | P | 94 | Very high | 94.8 | Very high | 58 Ų | 58 | 36.9 Ų | 36.9 | 38% | 0.377 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -63.4 | -14 | -178.1 | 26.9 | -34.4 | 0 | 0 | 0 | 114.2 | W4 Y187 F188 | W4-P185 HydrophobicContact CD2-CG 3.88Å; W4-P185 HydrophobicContact CE3-CG 3.91Å; W4-P185 HydrophobicContact CG-CG 4.3Å; W4-P185 HydrophobicContact CZ3-CG 4.31Å; P185-Y187 PolarHBondContact O-N 3.13Å; P185-F188 VanDerWaalsContact CA-CE1 3.41Å; P185-F188 HydrophobicContact CB-CE1 4.24Å; P185-F188 HydrophobicContact CB-CZ 4.23Å |
| 186 | Q | 93.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 41.1 Ų | 41.1 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -67.7 | -24 | 174.8 | -171.8 | 175.2 | 2.1 | 0 | 0 | 113.1 | N184 V338 | N184-Q186 PolarHBondContact O-N 2.86Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 VanDerWaalsContact OD1-CB 3.24Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; N184-Q186 PolarHBondContact OD1-N 2.54Å; Q186-V338 WeakPolarHBondContact O-CG2 3.45Å |
| 187 | Y | 94.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -107.8 | 4.1 | -168.6 | -65.4 | -50.2 | 0 | 0 | 0 | 115 | Y165 I174 E177 N184 P185 A337 V338 | Y165-Y187 AromaticContact CD1-CD1 3.78Å; Y165-Y187 HydrophobicContact CD1-CD1 3.78Å; Y165-Y187 AromaticContact CD1-CD2 3.96Å; Y165-Y187 HydrophobicContact CD1-CD2 3.96Å; Y165-Y187 HydrophobicContact CD1-CE1 4.14Å; Y165-Y187 HydrophobicContact CD1-CE2 4.3Å; Y165-Y187 AromaticContact CD1-CG 3.71Å; Y165-Y187 HydrophobicContact CD1-CG 3.71Å; Y165-Y187 HydrophobicContact CD2-CD1 4.35Å; Y165-Y187 HydrophobicContact CD2-CG 4.15Å; Y165-Y187 AromaticContact CE1-CD1 3.61Å; Y165-Y187 HydrophobicContact CE1-CD1 3.61Å; Y165-Y187 AromaticContact CE1-CE1 3.81Å; Y165-Y187 HydrophobicContact CE1-CE1 3.81Å; Y165-Y187 HydrophobicContact CE1-CG 4.05Å; Y165-Y187 HydrophobicContact CE2-CD1 4.2Å; Y165-Y187 HydrophobicContact CE2-CG 4.45Å; Y165-Y187 HydrophobicContact CG-CD1 4.15Å; Y165-Y187 HydrophobicContact CG-CD2 4.18Å; Y165-Y187 AromaticContact CG-CG 3.76Å; Y165-Y187 HydrophobicContact CG-CG 3.76Å; Y165-Y187 AromaticContact CZ-CD1 3.83Å; I174-Y187 WeakPolarHBondContact CD1-OH 3.34Å; E177-Y187 HydrophobicContact CB-CD2 4.42Å; E177-Y187 HydrophobicContact CB-CE2 4.18Å; E177-Y187 VanDerWaalsContact OE2-CD2 3.3Å; E177-Y187 WeakPolarHBondContact OE2-CD2 3.35Å; E177-Y187 WeakPolarHBondContact OE2-CE2 2.91Å; N184-Y187 HydrophobicContact CB-CD2 3.92Å; N184-Y187 HydrophobicContact CB-CE2 4.46Å; N184-Y187 VanDerWaalsContact ND2-CE2 3.28Å; N184-Y187 WeakPolarHBondContact ND2-CE2 2.77Å; N184-Y187 PolarHBondContact O-N 3.32Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; P185-Y187 PolarHBondContact O-N 3.13Å; Y187-A337 CarbonylContact O-C 3.49Å; Y187-A337 WeakPolarHBondContact O-CA 3.38Å; Y187-V338 PolarHBondContact O-N 3.02Å |
| 188 | F | 95.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 45 Ų | 45 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.1 | 173 | 68.3 | -92 | 0 | 0 | 0 | 113.6 | F183 N184 P185 F192 Y322 A335 D336 | F183-F188 AromaticContact CD2-CE1 3.62Å; F183-F188 HydrophobicContact CD2-CE1 3.62Å; F183-F188 AromaticContact CD2-CZ 3.85Å; F183-F188 HydrophobicContact CD2-CZ 3.85Å; F183-F188 HydrophobicContact CE2-CE1 4.23Å; F183-F188 AromaticContact CE2-CZ 3.98Å; F183-F188 HydrophobicContact CE2-CZ 3.98Å; F183-F188 HydrophobicContact CG-CE1 4.41Å; N184-F188 WeakPolarHBondContact O-CD1 3.49Å; N184-F188 WeakPolarHBondContact O-CE1 3.33Å; P185-F188 VanDerWaalsContact CA-CE1 3.41Å; P185-F188 HydrophobicContact CB-CE1 4.24Å; P185-F188 HydrophobicContact CB-CZ 4.23Å; F188-F192 HydrophobicContact CD1-CE2 4.43Å; F188-F192 AromaticContact CD1-CZ 3.81Å; F188-F192 HydrophobicContact CD1-CZ 3.81Å; F188-F192 HydrophobicContact CD2-CE2 4.24Å; F188-F192 HydrophobicContact CD2-CZ 4.04Å; F188-F192 AromaticContact CE1-CE2 3.88Å; F188-F192 HydrophobicContact CE1-CE2 3.88Å; F188-F192 AromaticContact CE1-CZ 3.64Å; F188-F192 HydrophobicContact CE1-CZ 3.64Å; F188-F192 HydrophobicContact CE2-CD2 4.42Å; F188-F192 AromaticContact CE2-CE2 3.68Å; F188-F192 HydrophobicContact CE2-CE2 3.68Å; F188-F192 AromaticContact CE2-CZ 3.91Å; F188-F192 HydrophobicContact CE2-CZ 3.91Å; F188-F192 HydrophobicContact CG-CZ 4Å; F188-F192 AromaticContact CZ-CE2 3.48Å; F188-F192 HydrophobicContact CZ-CE2 3.48Å; F188-F192 VanDerWaalsContact CZ-CE2 3.48Å; F188-F192 AromaticContact CZ-CZ 3.71Å; F188-F192 HydrophobicContact CZ-CZ 3.71Å; F188-Y322 HydrophobicContact CB-CD1 4.36Å; F188-Y322 HydrophobicContact CB-CD2 4.11Å; F188-Y322 HydrophobicContact CB-CG 3.8Å; F188-Y322 HydrophobicContact CD1-CD1 4.11Å; F188-Y322 HydrophobicContact CD1-CD2 4.28Å; F188-Y322 HydrophobicContact CD1-CE1 4.12Å; F188-Y322 HydrophobicContact CD1-CE2 4.33Å; F188-Y322 HydrophobicContact CD1-CG 4.18Å; F188-Y322 HydrophobicContact CG-CG 4.38Å; F188-A335 HydrophobicContact CB-CB 3.95Å; F188-A335 HydrophobicContact CD2-CB 4.06Å; F188-A335 HydrophobicContact CG-CB 4.24Å; F188-D336 CarbonylContact C-O 3.57Å; F188-D336 WeakPolarHBondContact CA-O 3.19Å |
| 189 | K | 95.1 | Very high | 95.3 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.9 | 176.7 | -59.5 | -175.1 | -178.1 | -176.8 | 0 | 111.3 | D336 V338 | K189-D336 PolarHBondContact N-O 3.23Å; K189-V338 HydrophobicContact CD-CG2 4.46Å; K189-V338 HydrophobicContact CG-CG2 3.79Å |
| 190 | G | 93.6 | Very high | 95 | Very high | 55 Ų | 55 | 52 Ų | 52 | 57% | 0.567 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68.2 | -166.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 191 | D | 93.7 | Very high | 94.8 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 154.2 | -179.2 | -59.1 | -47.4 | 0 | 0 | 0 | 112.2 | ||
| 192 | F | 96.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.7 | 171.4 | -71.7 | -72 | 0 | 0 | 0 | 111.1 | F183 F188 Y194 Y322 V324 A335 | F183-F192 HydrophobicContact CD1-CE2 4.44Å; F183-F192 HydrophobicContact CD2-CE2 4.18Å; F183-F192 HydrophobicContact CD2-CZ 4.49Å; F183-F192 HydrophobicContact CE2-CE2 4.25Å; F183-F192 HydrophobicContact CG-CE2 4.26Å; F183-F192 HydrophobicContact CG-CZ 4.35Å; F183-F192 HydrophobicContact CZ-CE2 4.43Å; F188-F192 HydrophobicContact CD1-CE2 4.43Å; F188-F192 AromaticContact CD1-CZ 3.81Å; F188-F192 HydrophobicContact CD1-CZ 3.81Å; F188-F192 HydrophobicContact CD2-CE2 4.24Å; F188-F192 HydrophobicContact CD2-CZ 4.04Å; F188-F192 AromaticContact CE1-CE2 3.88Å; F188-F192 HydrophobicContact CE1-CE2 3.88Å; F188-F192 AromaticContact CE1-CZ 3.64Å; F188-F192 HydrophobicContact CE1-CZ 3.64Å; F188-F192 HydrophobicContact CE2-CD2 4.42Å; F188-F192 AromaticContact CE2-CE2 3.68Å; F188-F192 HydrophobicContact CE2-CE2 3.68Å; F188-F192 AromaticContact CE2-CZ 3.91Å; F188-F192 HydrophobicContact CE2-CZ 3.91Å; F188-F192 HydrophobicContact CG-CZ 4Å; F188-F192 AromaticContact CZ-CE2 3.48Å; F188-F192 HydrophobicContact CZ-CE2 3.48Å; F188-F192 VanDerWaalsContact CZ-CE2 3.48Å; F188-F192 AromaticContact CZ-CZ 3.71Å; F188-F192 HydrophobicContact CZ-CZ 3.71Å; F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.44Å; F192-Y194 VanDerWaalsContact CB-CE2 3.44Å; F192-Y194 HydrophobicContact CG-CE2 4.23Å; F192-Y322 AromaticContact CE1-CD1 3.73Å; F192-Y322 HydrophobicContact CE1-CD1 3.73Å; F192-Y322 HydrophobicContact CE1-CE1 4.24Å; F192-Y322 AromaticContact CZ-CD1 3.9Å; F192-Y322 HydrophobicContact CZ-CD1 3.9Å; F192-Y322 HydrophobicContact CZ-CE1 4.02Å; F192-V324 HydrophobicContact CD1-CG2 4.14Å; F192-V324 HydrophobicContact CE1-CB 4.47Å; F192-V324 HydrophobicContact CE1-CG2 3.49Å; F192-V324 VanDerWaalsContact CE1-CG2 3.49Å; F192-V324 HydrophobicContact CE2-CG2 4.29Å; F192-V324 HydrophobicContact CZ-CG2 3.57Å; F192-A335 HydrophobicContact CD1-CB 3.58Å; F192-A335 HydrophobicContact CE1-CB 3.56Å; F192-A335 HydrophobicContact CG-CB 4.34Å; F192-A335 HydrophobicContact CZ-CB 4.34Å |
| 193 | E | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.9 | 161.5 | -174.4 | 61.5 | -134 | 0 | 0 | 108 | I195 H273 K275 Y277 G333 L334 | E193-I195 HydrophobicContact CG-CD1 4.1Å; E193-I195 HydrophobicContact CG-CG1 4.44Å; E193-I195 WeakPolarHBondContact O-CD1 3.4Å; E193-H273 IonicContact OE1-CE1 3.64Å; E193-H273 IonicContact OE1-CG 3.53Å; E193-H273 IonicContact OE1-ND1 2.65Å; E193-H273 PolarHBondContact OE1-ND1 3.07Å; E193-K275 HydrophobicContact CB-CB 4.22Å; E193-K275 HydrophobicContact CB-CD 4.13Å; E193-K275 HydrophobicContact CG-CB 4.04Å; E193-Y277 WeakPolarHBondContact CB-OH 3.49Å; E193-G333 CarbonylContact O-C 3.49Å; E193-G333 WeakPolarHBondContact O-CA 3.32Å; E193-L334 PolarHBondContact N-O 2.82Å; E193-L334 PolarHBondContact O-N 3.24Å |
| 194 | Y | 97.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.2 | -179.3 | -78.8 | -79.2 | 0 | 0 | 0 | 111.2 | F192 R331 I332 | F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.44Å; F192-Y194 VanDerWaalsContact CB-CE2 3.44Å; F192-Y194 HydrophobicContact CG-CE2 4.23Å; Y194-R331 HydrophobicContact CD1-CG 3.89Å; Y194-I332 CarbonylContact C-O 3.47Å; Y194-I332 WeakPolarHBondContact CA-O 3.03Å |
| 195 | I | 97.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126 | 179.8 | -52.7 | 99.9 | 0 | 0 | 0 | 109.5 | E193 I205 F272 H273 R331 I332 L334 | E193-I195 HydrophobicContact CG-CD1 4.1Å; E193-I195 HydrophobicContact CG-CG1 4.44Å; E193-I195 WeakPolarHBondContact O-CD1 3.4Å; I195-I205 HydrophobicContact CB-CB 4.28Å; I195-I205 HydrophobicContact CB-CD1 4.46Å; I195-I205 HydrophobicContact CB-CG2 4.17Å; I195-I205 HydrophobicContact CD1-CD1 4.27Å; I195-I205 HydrophobicContact CG2-CB 3.87Å; I195-I205 HydrophobicContact CG2-CG2 4.11Å; I195-F272 HydrophobicContact CD1-CB 4Å; I195-F272 HydrophobicContact CG1-CB 4.23Å; I195-H273 HydrophobicContact CG1-CB 4.28Å; I195-R331 CarbonylContact O-C 3.51Å; I195-R331 WeakPolarHBondContact O-CA 3.3Å; I195-R331 WeakPolarHBondContact O-CB 3.27Å; I195-I332 PolarHBondContact N-O 3.18Å; I195-I332 PolarHBondContact O-N 3.43Å; I195-L334 HydrophobicContact CD1-CD1 3.73Å; I195-L334 HydrophobicContact CD1-CG 4.02Å |
| 196 | P | 97.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 144.1 | 177.3 | 27.5 | -34.6 | 0 | 0 | 0 | 111.2 | R330 | P196-R330 WeakPolarHBondContact CA-O 3.14Å |
| 197 | T | 97.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 143.8 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | H199 W203 V204 I205 R330 I332 | T197-H199 WeakPolarHBondContact CB-O 3.44Å; T197-H199 PolarHBondContact O-N 2.96Å; T197-H199 PolarHBondContact OG1-O 3.49Å; T197-W203 HydrophobicContact CG2-CE3 3.77Å; T197-W203 HydrophobicContact CG2-CZ3 4.17Å; T197-V204 CarbonylContact C-O 3.48Å; T197-V204 WeakPolarHBondContact CA-O 3.46Å; T197-V204 WeakPolarHBondContact CB-O 3.49Å; T197-I205 HydrophobicContact CG2-CG2 4.36Å; T197-R330 PolarHBondContact N-O 3.48Å; T197-R330 PolarHBondContact OG1-O 2.79Å; T197-I332 HydrophobicContact CG2-CG1 4.32Å |
| 198 | V | 96.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -71.8 | -25.9 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | V204 | V198-V204 HydrophobicContact CB-CG1 4.23Å; V198-V204 HydrophobicContact CG2-CG1 4.11Å; V198-V204 PolarHBondContact N-O 3.26Å |
| 199 | H | 90.9 | Very high | 96 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | trans | -131.4 | 159.8 | -175.9 | -59.1 | -48.2 | 0 | 0 | 0 | 111.9 | T197 Y201 | T197-H199 WeakPolarHBondContact CB-O 3.44Å; T197-H199 PolarHBondContact O-N 2.96Å; T197-H199 PolarHBondContact OG1-O 3.49Å; H199-Y201 HydrophobicContact CB-CD1 3.84Å; H199-Y201 HydrophobicContact CB-CE1 3.56Å; H199-Y201 HydrophobicContact CB-CE2 4.49Å; H199-Y201 HydrophobicContact CB-CG 4.38Å; H199-Y201 AromaticContact CG-CE1 3.71Å; H199-Y201 AromaticContact CG-CZ 3.69Å; H199-Y201 AromaticContact ND1-CE1 3.89Å; H199-Y201 AromaticContact ND1-CZ 4Å | ||
| 200 | N | 89.8 | Confident | 96.1 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -92.7 | 1.1 | 174 | -64 | -28.2 | 0 | 0 | 0 | 113.2 | S136 R330 | S136-N200 CarbonylContact C-O 3.6Å; N200-R330 WeakPolarHBondContact OD1-CD 3.05Å; N200-R330 PolarHBondContact OD1-NH1 2.92Å |
| 201 | Y | 92 | Very high | 96.3 | Very high | 96 Ų | 96 | 47 Ų | 47 | 38% | 0.376 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -125.6 | -10.2 | -172.2 | 58.7 | -89.3 | 0 | 0 | 0 | 113.8 | S136 H199 | S136-Y201 WeakPolarHBondContact OG-CA 3.22Å; S136-Y201 PolarHBondContact OG-N 2.72Å; H199-Y201 HydrophobicContact CB-CD1 3.84Å; H199-Y201 HydrophobicContact CB-CE1 3.56Å; H199-Y201 HydrophobicContact CB-CE2 4.49Å; H199-Y201 HydrophobicContact CB-CG 4.38Å; H199-Y201 AromaticContact CG-CE1 3.71Å; H199-Y201 AromaticContact CG-CZ 3.69Å; H199-Y201 AromaticContact ND1-CE1 3.89Å; H199-Y201 AromaticContact ND1-CZ 4Å |
| 202 | M | 95.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -138.7 | 157.1 | 174.1 | -65.6 | 176.9 | -49.1 | 0 | 0 | 110.7 | S136 V204 L224 | S136-M202 VanDerWaalsContact OG-C 3.24Å; S136-M202 WeakPolarHBondContact OG-CA 3.39Å; S136-M202 PolarHBondContact OG-N 3.19Å; S136-M202 PolarHBondContact OG-O 2.9Å; S136-M202 VanDerWaalsContact OG-O 3.11Å; M202-V204 HydrophobicContact CB-CG2 3.78Å; M202-V204 HydrophobicContact CE-CG2 3.98Å; M202-V204 PolarHBondContact O-N 3.48Å; M202-L224 HydrophobicContact CB-CD1 4.29Å |
| 203 | W | 98 | Very high | 96 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -84.2 | 55.3 | 175.8 | -64.3 | 116.4 | 0 | 0 | 0 | 112.2 | T42 M134 S135 F162 T197 L224 I225 F325 F327 I332 | T42-W203 VanDerWaalsContact O-CD1 3.28Å; M134-W203 PolarHBondContact O-NE1 2.95Å; S135-W203 VanDerWaalsContact C-NE1 3.33Å; F162-W203 AromaticContact CE1-CZ2 3.8Å; F162-W203 HydrophobicContact CE1-CZ2 3.8Å; F162-W203 AromaticContact CZ-CE2 3.97Å; F162-W203 AromaticContact CZ-CZ2 3.8Å; F162-W203 HydrophobicContact CZ-CZ2 3.8Å; F162-W203 AromaticContact CZ-NE1 3.83Å; T197-W203 HydrophobicContact CG2-CE3 3.77Å; T197-W203 HydrophobicContact CG2-CZ3 4.17Å; W203-L224 HydrophobicContact CB-CD1 4.45Å; W203-I225 PolarHBondContact O-N 2.82Å; W203-F325 HydrophobicContact CB-CD1 4Å; W203-F325 HydrophobicContact CB-CE1 3.81Å; W203-F325 AromaticContact CD1-CD1 3.86Å; W203-F325 HydrophobicContact CD2-CB 4.37Å; W203-F325 AromaticContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CD1 3.44Å; W203-F325 VanDerWaalsContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CE1 4.17Å; W203-F325 HydrophobicContact CD2-CG 4.35Å; W203-F325 AromaticContact CE2-CD1 3.76Å; W203-F325 HydrophobicContact CE3-CB 4.38Å; W203-F325 AromaticContact CE3-CD1 3.83Å; W203-F325 HydrophobicContact CE3-CD1 3.83Å; W203-F325 AromaticContact CG-CD1 3.5Å; W203-F325 HydrophobicContact CG-CD1 3.5Å; W203-F325 AromaticContact CG-CE1 3.73Å; W203-F325 HydrophobicContact CG-CE1 3.73Å; W203-F325 HydrophobicContact CH2-CB 3.91Å; W203-F325 HydrophobicContact CZ2-CB 3.88Å; W203-F325 HydrophobicContact CZ2-CD1 4.4Å; W203-F325 HydrophobicContact CZ3-CB 4.17Å; W203-F325 HydrophobicContact CZ3-CD1 4.45Å; W203-F325 AromaticContact NE1-CD1 3.98Å; W203-F327 HydrophobicContact CH2-CB 4.15Å; W203-F327 HydrophobicContact CH2-CD2 4.08Å; W203-F327 AromaticContact CZ2-CD2 3.94Å; W203-F327 HydrophobicContact CZ2-CD2 3.94Å; W203-I332 HydrophobicContact CB-CD1 3.92Å; W203-I332 HydrophobicContact CE3-CD1 4.39Å; W203-I332 HydrophobicContact CE3-CG1 4.05Å | ||
| 204 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.5 | 179.1 | -179 | 0 | 0 | 0 | 0 | 109.6 | T197 V198 M202 A223 L224 Y310 | T197-V204 CarbonylContact C-O 3.48Å; T197-V204 WeakPolarHBondContact CA-O 3.46Å; T197-V204 WeakPolarHBondContact CB-O 3.49Å; V198-V204 HydrophobicContact CB-CG1 4.23Å; V198-V204 HydrophobicContact CG2-CG1 4.11Å; V198-V204 PolarHBondContact N-O 3.26Å; M202-V204 HydrophobicContact CB-CG2 3.78Å; M202-V204 HydrophobicContact CE-CG2 3.98Å; M202-V204 PolarHBondContact O-N 3.48Å; V204-A223 WeakPolarHBondContact CA-O 3.3Å; V204-L224 HydrophobicContact CG2-CB 4.2Å; V204-L224 HydrophobicContact CG2-CD1 3.91Å; V204-Y310 HydrophobicContact CG1-CE2 4.14Å; V204-Y310 HydrophobicContact CG2-CE2 4.15Å; V204-Y310 WeakPolarHBondContact CG2-OH 3.33Å |
| 205 | I | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 157.6 | 175.3 | 54.4 | 169.6 | 0 | 0 | 0 | 110.8 | I195 T197 M207 A223 I225 F272 I332 L334 | I195-I205 HydrophobicContact CB-CB 4.28Å; I195-I205 HydrophobicContact CB-CD1 4.46Å; I195-I205 HydrophobicContact CB-CG2 4.17Å; I195-I205 HydrophobicContact CD1-CD1 4.27Å; I195-I205 HydrophobicContact CG2-CB 3.87Å; I195-I205 HydrophobicContact CG2-CG2 4.11Å; T197-I205 HydrophobicContact CG2-CG2 4.36Å; I205-M207 PolarHBondContact O-N 2.88Å; I205-A223 PolarHBondContact N-O 3.49Å; I205-A223 PolarHBondContact O-N 2.89Å; I205-I225 HydrophobicContact CD1-CD1 4.14Å; I205-I225 HydrophobicContact CD1-CG1 4.1Å; I205-I225 HydrophobicContact CG1-CD1 4.34Å; I205-I225 HydrophobicContact CG1-CG1 4.21Å; I205-F272 HydrophobicContact CD1-CD1 3.63Å; I205-F272 HydrophobicContact CD1-CE1 3.56Å; I205-F272 HydrophobicContact CD1-CZ 4.4Å; I205-F272 HydrophobicContact CG1-CD1 4.19Å; I205-F272 HydrophobicContact CG1-CE1 3.87Å; I205-I332 HydrophobicContact CD1-CB 4.47Å; I205-I332 HydrophobicContact CD1-CD1 4.42Å; I205-I332 HydrophobicContact CG1-CD1 4.4Å; I205-I332 HydrophobicContact CG2-CB 4Å; I205-I332 HydrophobicContact CG2-CD1 3.69Å; I205-I332 HydrophobicContact CG2-CG1 3.84Å; I205-L334 HydrophobicContact CD1-CD1 4.06Å |
| 206 | Q | 98.2 | Very high | 95.4 | Very high | 94 Ų | 94 | 49 Ų | 49 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.4 | 176.2 | -175.6 | 177.2 | 84.2 | 0 | 0 | 110.8 | L208 I220 F272 | Q206-L208 HydrophobicContact CG-CD2 4.3Å; Q206-I220 HydrophobicContact CG-CG2 4.37Å; Q206-F272 WeakPolarHBondContact O-CD1 3.48Å |
| 207 | M | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.1 | 168.1 | -177.4 | 165.7 | 63.3 | 0 | 0 | 108.7 | I205 L210 I220 C221 A223 L270 F272 W311 L313 | I205-M207 PolarHBondContact O-N 2.88Å; M207-L210 HydrophobicContact CE-CB 3.86Å; M207-L210 HydrophobicContact CE-CD2 4.48Å; M207-L210 HydrophobicContact SD-CB 4.31Å; M207-I220 WeakPolarHBondContact O-CA 3.41Å; M207-C221 WeakPolarHBondContact CE-SG 3.16Å; M207-C221 PolarHBondContact N-O 2.81Å; M207-C221 PolarHBondContact O-N 2.71Å; M207-A223 HydrophobicContact CB-CB 4.06Å; M207-L270 HydrophobicContact SD-CB 4.12Å; M207-L270 HydrophobicContact SD-CD2 3.76Å; M207-L270 HydrophobicContact SD-CG 4.32Å; M207-F272 HydrophobicContact CB-CD1 4.16Å; M207-F272 HydrophobicContact CB-CE1 3.56Å; M207-F272 HydrophobicContact CB-CZ 3.95Å; M207-F272 HydrophobicContact CG-CE1 3.96Å; M207-F272 HydrophobicContact CG-CE2 4.38Å; M207-F272 HydrophobicContact CG-CZ 3.89Å; M207-F272 HydrophobicContact SD-CE1 4.4Å; M207-F272 HydrophobicContact SD-CE2 4.25Å; M207-F272 HydrophobicContact SD-CZ 3.79Å; M207-W311 HydrophobicContact CE-CB 4.22Å; M207-W311 HydrophobicContact CE-CG 3.97Å; M207-L313 HydrophobicContact SD-CD1 4.49Å |
| 208 | L | 97.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -35.6 | -177.2 | -63.9 | -176.3 | 0 | 0 | 0 | 112.1 | Q206 I220 I271 H273 | Q206-L208 HydrophobicContact CG-CD2 4.3Å; L208-I220 PolarHBondContact O-N 2.94Å; L208-I271 HydrophobicContact CB-CB 4.41Å; L208-I271 HydrophobicContact CB-CG2 4.24Å; L208-I271 HydrophobicContact CD1-CG2 4.31Å; L208-I271 PolarHBondContact N-O 3.11Å; L208-H273 WeakPolarHBondContact CD1-O 3.29Å |
| 209 | S | 97.1 | Very high | 95 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 141.3 | -177.5 | 167 | 0 | 0 | 0 | 0 | 111.4 | R211 E216 C218 L270 I271 | S209-R211 WeakPolarHBondContact OG-CD 3.03Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-NE 2.68Å; S209-E216 PolarHBondContact OG-OE1 3.06Å; S209-C218 WeakPolarHBondContact CA-O 3.25Å; S209-L270 WeakPolarHBondContact O-CA 3.38Å; S209-I271 PolarHBondContact O-N 3.26Å |
| 210 | L | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.9 | 162.5 | 177.4 | 66.9 | 0 | 0 | 0 | 108.7 | M207 L217 C218 I268 E269 L270 W311 | M207-L210 HydrophobicContact CE-CB 3.86Å; M207-L210 HydrophobicContact CE-CD2 4.48Å; M207-L210 HydrophobicContact SD-CB 4.31Å; L210-L217 HydrophobicContact CD2-CB 4.42Å; L210-L217 HydrophobicContact CG-CB 4.48Å; L210-L217 HydrophobicContact CG-CD1 4.47Å; L210-L217 PolarHBondContact O-N 3.1Å; L210-C218 HydrophobicContact CB-CB 4.16Å; L210-C218 PolarHBondContact N-O 3.32Å; L210-C218 PolarHBondContact O-N 2.75Å; L210-I268 HydrophobicContact CD1-CG2 3.56Å; L210-E269 WeakPolarHBondContact CA-O 3.44Å; L210-L270 HydrophobicContact CD1-CD2 3.95Å; L210-L270 HydrophobicContact CD1-CG 3.77Å; L210-W311 HydrophobicContact CD2-CD2 3.9Å; L210-W311 HydrophobicContact CD2-CE3 3.92Å; L210-W311 HydrophobicContact CD2-CH2 3.6Å; L210-W311 HydrophobicContact CD2-CZ2 3.55Å; L210-W311 HydrophobicContact CD2-CZ3 3.77Å |
| 211 | R | 96.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 43 Ų | 43 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.8 | -178.1 | -74.6 | 166.1 | -171.3 | 179.1 | 2.1 | 112.3 | S209 V215 E216 E269 | S209-R211 WeakPolarHBondContact OG-CD 3.03Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-NE 2.68Å; R211-V215 VanDerWaalsContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CA-O 3.21Å; R211-E216 HydrophobicContact CG-CB 3.94Å; R211-E216 HydrophobicContact CG-CG 4.2Å; R211-E216 IonicContact CZ-OE1 3.71Å; R211-E216 VanDerWaalsContact CZ-OE1 3.24Å; R211-E216 IonicContact NE-OE1 2.77Å; R211-E216 PolarHBondContact NE-OE1 3.28Å; R211-E216 IonicContact NH2-OE1 3.45Å; R211-E216 PolarHBondContact NH2-OE1 2.9Å; R211-E269 HydrophobicContact CB-CB 4.29Å; R211-E269 PolarHBondContact N-O 2.84Å; R211-E269 PolarHBondContact O-N 2.96Å |
| 212 | I | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.6 | 171.2 | -58.7 | -179.2 | 0 | 0 | 0 | 107.9 | G214 V215 L217 I242 P266 I268 F300 | I212-G214 PolarHBondContact O-N 3.4Å; I212-V215 PolarHBondContact N-O 2.92Å; I212-V215 WeakPolarHBondContact O-CB 3.25Å; I212-V215 PolarHBondContact O-N 3.07Å; I212-L217 HydrophobicContact CB-CD1 4.04Å; I212-L217 HydrophobicContact CD1-CD1 3.88Å; I212-L217 HydrophobicContact CG1-CD1 3.76Å; I212-I242 HydrophobicContact CD1-CB 4.33Å; I212-I242 HydrophobicContact CD1-CD1 4.16Å; I212-I242 HydrophobicContact CD1-CG1 3.91Å; I212-I242 HydrophobicContact CD1-CG2 3.53Å; I212-P266 HydrophobicContact CG2-CB 3.95Å; I212-P266 HydrophobicContact CG2-CG 3.54Å; I212-I268 HydrophobicContact CD1-CG1 3.92Å; I212-I268 HydrophobicContact CD1-CG2 4.37Å; I212-I268 HydrophobicContact CG1-CB 4.31Å; I212-I268 HydrophobicContact CG1-CG1 4.06Å; I212-I268 HydrophobicContact CG1-CG2 4.1Å; I212-F300 HydrophobicContact CD1-CE2 3.76Å; I212-F300 HydrophobicContact CD1-CZ 3.71Å |
| 213 | N | 89 | Confident | 96 | Very high | 117 Ų | 117 | 38.1 Ų | 38.1 | 63% | 0.626 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40 | 177.9 | -162 | 33 | 0 | 0 | 0 | 113.8 | V215 P266 | N213-V215 PolarHBondContact O-N 2.88Å; N213-P266 HydrophobicContact CB-CB 3.87Å; N213-P266 HydrophobicContact CB-CG 4.27Å |
| 214 | G | 90.4 | Very high | 96 | Very high | 77 Ų | 77 | 38.1 Ų | 38.1 | 79% | 0.794 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -8.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I212 | I212-G214 PolarHBondContact O-N 3.4Š|
| 215 | V | 94.7 | Very high | 96 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.6 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | R211 I212 N213 L217 L245 | R211-V215 VanDerWaalsContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CA-O 3.21Å; I212-V215 PolarHBondContact N-O 2.92Å; I212-V215 WeakPolarHBondContact O-CB 3.25Å; I212-V215 PolarHBondContact O-N 3.07Å; N213-V215 PolarHBondContact O-N 2.88Å; V215-L217 HydrophobicContact CG1-CD2 4.25Å; V215-L217 HydrophobicContact CG1-CG 4.45Å; V215-L245 HydrophobicContact CB-CD1 4.12Å; V215-L245 HydrophobicContact CG1-CD1 4.4Å; V215-L245 HydrophobicContact CG2-CD1 4.11Å; V215-L245 HydrophobicContact CG2-CD2 4.36Å |
| 216 | E | 95.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.8 | 172.1 | -173.9 | 166.6 | -96.4 | 0 | 0 | 110.1 | S209 R211 C218 N219 | S209-E216 PolarHBondContact OG-OE1 3.06Å; R211-E216 HydrophobicContact CG-CB 3.94Å; R211-E216 HydrophobicContact CG-CG 4.2Å; R211-E216 IonicContact CZ-OE1 3.71Å; R211-E216 VanDerWaalsContact CZ-OE1 3.24Å; R211-E216 IonicContact NE-OE1 2.77Å; R211-E216 PolarHBondContact NE-OE1 3.28Å; R211-E216 IonicContact NH2-OE1 3.45Å; R211-E216 PolarHBondContact NH2-OE1 2.9Å; E216-C218 VanDerWaalsContact CG-O 3.29Å; E216-C218 WeakPolarHBondContact CG-O 3.36Å; E216-N219 HydrophobicContact CG-CB 4.41Å; E216-N219 PolarHBondContact OE2-ND2 3.43Å |
| 217 | L | 94.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -23.4 | -173.5 | -64.2 | 153 | 0 | 0 | 0 | 111.9 | L210 I212 V215 Q238 Q241 I242 | L210-L217 HydrophobicContact CD2-CB 4.42Å; L210-L217 HydrophobicContact CG-CB 4.48Å; L210-L217 HydrophobicContact CG-CD1 4.47Å; L210-L217 PolarHBondContact O-N 3.1Å; I212-L217 HydrophobicContact CB-CD1 4.04Å; I212-L217 HydrophobicContact CD1-CD1 3.88Å; I212-L217 HydrophobicContact CG1-CD1 3.76Å; V215-L217 HydrophobicContact CG1-CD2 4.25Å; V215-L217 HydrophobicContact CG1-CG 4.45Å; L217-Q238 WeakPolarHBondContact O-CG 3.42Å; L217-Q241 HydrophobicContact CD2-CB 4.35Å; L217-Q241 HydrophobicContact CD2-CG 4.14Å; L217-I242 HydrophobicContact CD1-CD1 3.69Å; L217-I242 HydrophobicContact CD1-CG1 3.39Å; L217-I242 HydrophobicContact CD2-CD1 4.49Å; L217-I242 HydrophobicContact CD2-CG1 3.81Å; L217-I242 HydrophobicContact CG-CG1 4.17Å |
| 218 | C | 93.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.9 | 166.9 | 138.2 | 0 | 0 | 0 | 0 | 108.2 | S209 L210 E216 C221 | S209-C218 WeakPolarHBondContact CA-O 3.25Å; L210-C218 HydrophobicContact CB-CB 4.16Å; L210-C218 PolarHBondContact N-O 3.32Å; L210-C218 PolarHBondContact O-N 2.75Å; E216-C218 VanDerWaalsContact CG-O 3.29Å; E216-C218 WeakPolarHBondContact CG-O 3.36Å; C218-C221 HydrophobicContact CB-CB 3.95Å; C218-C221 WeakPolarHBondContact CB-SG 3.39Å; C218-C221 WeakPolarHBondContact SG-CB 3.28Å; C218-C221 PolarHBondContact SG-N 2.9Å; C218-C221 VanDerWaalsContact SG-N 3.42Å; C218-C221 CovalentContact SG-SG 2.01Å; C218-C221 PolarHBondContact SG-SG 3.36Å |
| 219 | N | 93.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 33.4 Ų | 33.4 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118 | 166.5 | -170.9 | -34.2 | 0 | 0 | 0 | 107.7 | E216 | E216-N219 HydrophobicContact CG-CB 4.41Å; E216-N219 PolarHBondContact OE2-ND2 3.43Å |
| 220 | I | 95.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 80.9 | -172.7 | -53.5 | 168.4 | 0 | 0 | 0 | 111.9 | Q206 M207 L208 | Q206-I220 HydrophobicContact CG-CG2 4.37Å; M207-I220 WeakPolarHBondContact O-CA 3.41Å; L208-I220 PolarHBondContact O-N 2.94Å |
| 221 | C | 97 | Very high | 95 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 172.3 | 174 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | M207 C218 N309 | M207-C221 WeakPolarHBondContact CE-SG 3.16Å; M207-C221 PolarHBondContact N-O 2.81Å; M207-C221 PolarHBondContact O-N 2.71Å; C218-C221 HydrophobicContact CB-CB 3.95Å; C218-C221 WeakPolarHBondContact CB-SG 3.39Å; C218-C221 WeakPolarHBondContact SG-CB 3.28Å; C218-C221 PolarHBondContact SG-N 2.9Å; C218-C221 VanDerWaalsContact SG-N 3.42Å; C218-C221 CovalentContact SG-SG 2.01Å; C218-C221 PolarHBondContact SG-SG 3.36Å; C221-N309 WeakPolarHBondContact CA-O 3.22Å; C221-N309 HydrophobicContact CB-CB 4.1Å; C221-N309 WeakPolarHBondContact CB-O 3.3Å |
| 222 | S | 97.9 | Very high | 95 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.3 | 170.8 | -66.8 | 0 | 0 | 0 | 0 | 110 | N309 Y310 W311 | S222-N309 PolarHBondContact N-O 3.12Å; S222-Y310 WeakPolarHBondContact O-CA 3.38Å; S222-W311 PolarHBondContact O-N 3.14Å |
| 223 | A | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V204 I205 M207 F272 W311 L313 | V204-A223 WeakPolarHBondContact CA-O 3.3Å; I205-A223 PolarHBondContact N-O 3.49Å; I205-A223 PolarHBondContact O-N 2.89Å; M207-A223 HydrophobicContact CB-CB 4.06Å; A223-F272 HydrophobicContact CB-CE1 4.01Å; A223-F272 HydrophobicContact CB-CZ 4.15Å; A223-W311 CarbonylContact C-O 3.5Å; A223-W311 WeakPolarHBondContact CA-O 3.41Å; A223-L313 HydrophobicContact CB-CD1 3.86Å; A223-L313 HydrophobicContact CB-CG 4.13Å |
| 224 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128.3 | 166 | 178 | 64.7 | 0 | 0 | 0 | 108.7 | E43 M202 W203 V204 D226 Y310 W311 I312 L313 | E43-L224 HydrophobicContact CB-CD2 4.02Å; E43-L224 HydrophobicContact CG-CD2 3.75Å; E43-L224 VanDerWaalsContact OE1-CD2 3.31Å; E43-L224 WeakPolarHBondContact OE1-CD2 3.42Å; M202-L224 HydrophobicContact CB-CD1 4.29Å; W203-L224 HydrophobicContact CB-CD1 4.45Å; V204-L224 HydrophobicContact CG2-CB 4.2Å; V204-L224 HydrophobicContact CG2-CD1 3.91Å; L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.17Å; L224-Y310 HydrophobicContact CB-CE1 4.02Å; L224-W311 PolarHBondContact N-O 2.77Å; L224-I312 HydrophobicContact CB-CG1 4.28Å; L224-I312 HydrophobicContact CD2-CD1 4.48Å; L224-I312 HydrophobicContact CD2-CG1 4.17Å; L224-I312 HydrophobicContact CD2-CG2 4.21Å; L224-L313 PolarHBondContact O-N 3.4Å |
| 225 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.7 | 171.3 | -49.2 | -54.9 | 0 | 0 | 0 | 108.2 | T42 W203 I205 L313 F317 M318 T323 F325 I332 | T42-I225 PolarHBondContact OG1-O 2.98Å; W203-I225 PolarHBondContact O-N 2.82Å; I205-I225 HydrophobicContact CD1-CD1 4.14Å; I205-I225 HydrophobicContact CD1-CG1 4.1Å; I205-I225 HydrophobicContact CG1-CD1 4.34Å; I205-I225 HydrophobicContact CG1-CG1 4.21Å; I225-L313 HydrophobicContact CD1-CB 3.98Å; I225-L313 HydrophobicContact CD1-CD1 3.94Å; I225-L313 HydrophobicContact CD1-CG 4.39Å; I225-F317 HydrophobicContact CD1-CD1 4.34Å; I225-F317 HydrophobicContact CD1-CE1 3.99Å; I225-M318 HydrophobicContact CG2-CE 4.09Å; I225-M318 HydrophobicContact CG2-CG 3.98Å; I225-M318 HydrophobicContact CG2-SD 3.72Å; I225-T323 HydrophobicContact CG2-CG2 3.99Å; I225-F325 HydrophobicContact CB-CE1 4.17Å; I225-F325 HydrophobicContact CB-CZ 4.32Å; I225-F325 HydrophobicContact CG2-CE1 4.22Å; I225-F325 HydrophobicContact CG2-CZ 3.88Å; I225-I332 HydrophobicContact CB-CD1 4Å; I225-I332 HydrophobicContact CG1-CD1 3.58Å |
| 226 | D | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -130.1 | 111.2 | -164.5 | -177.2 | 22.2 | 0 | 0 | 0 | 113.5 | T42 E43 L224 G228 T229 I312 L313 G314 | T42-D226 VanDerWaalsContact OG1-CA 3.28Å; T42-D226 WeakPolarHBondContact OG1-CA 3.27Å; E43-D226 WeakPolarHBondContact CB-OD1 3.46Å; E43-D226 PolarHBondContact N-OD1 2.83Å; L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.17Å; D226-G228 VanDerWaalsContact C-N 3.26Å; D226-G228 PolarHBondContact O-N 2.85Å; D226-G228 WeakPolarHBondContact OD1-CA 3.39Å; D226-G228 PolarHBondContact OD1-N 2.75Å; D226-T229 WeakPolarHBondContact OD2-CB 3.39Å; D226-T229 PolarHBondContact OD2-N 2.7Å; D226-T229 VanDerWaalsContact OD2-N 3.13Å; D226-T229 PolarHBondContact OD2-OG1 3.46Å; D226-I312 HydrophobicContact CB-CG2 3.62Å; D226-L313 PolarHBondContact N-O 3.23Å; D226-L313 VanDerWaalsContact N-O 3.1Å; D226-G314 VanDerWaalsContact O-CA 3.25Å; D226-G314 WeakPolarHBondContact O-CA 3.17Å | ||
| 227 | T | 95.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.8 | 172.8 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | F40 T42 F164 T229 M318 | F40-T227 VanDerWaalsContact O-CB 3.31Å; F40-T227 WeakPolarHBondContact O-CB 3.45Å; F40-T227 PolarHBondContact O-OG1 3.42Å; T42-T227 HydrophobicContact CG2-CG2 4.11Å; T42-T227 WeakPolarHBondContact CG2-OG1 3.39Å; T42-T227 PolarHBondContact N-OG1 2.78Å; T42-T227 PolarHBondContact OG1-N 3.08Å; T42-T227 PolarHBondContact OG1-OG1 3.2Å; F164-T227 HydrophobicContact CD1-CG2 4.08Å; F164-T227 HydrophobicContact CD2-CG2 3.97Å; F164-T227 HydrophobicContact CE1-CG2 4.11Å; F164-T227 HydrophobicContact CE2-CG2 3.98Å; F164-T227 HydrophobicContact CG-CG2 3.98Å; F164-T227 HydrophobicContact CZ-CG2 4.04Å; T227-T229 VanDerWaalsContact C-N 3.35Å; T227-M318 HydrophobicContact CG2-CE 3.43Å; T227-M318 VanDerWaalsContact CG2-CE 3.43Å; T227-M318 HydrophobicContact CG2-SD 3.6Å |
| 228 | G | 92.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 29% | 0.289 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D226 | D226-G228 VanDerWaalsContact C-N 3.26Å; D226-G228 PolarHBondContact O-N 2.85Å; D226-G228 WeakPolarHBondContact OD1-CA 3.39Å; D226-G228 PolarHBondContact OD1-N 2.75Å |
| 229 | T | 93.7 | Very high | 96 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | trans | -105.6 | 129.3 | -176.6 | -73 | 0 | 0 | 0 | 0 | 111.7 | D226 T227 L231 L233 I312 G314 D315 | D226-T229 WeakPolarHBondContact OD2-CB 3.39Å; D226-T229 PolarHBondContact OD2-N 2.7Å; D226-T229 VanDerWaalsContact OD2-N 3.13Å; D226-T229 PolarHBondContact OD2-OG1 3.46Å; T227-T229 VanDerWaalsContact C-N 3.35Å; T229-L231 WeakPolarHBondContact CG2-O 3.47Å; T229-L233 HydrophobicContact CG2-CD1 4Å; T229-L233 HydrophobicContact CG2-CG 3.88Å; T229-I312 HydrophobicContact CG2-CG2 4.14Å; T229-G314 CarbonylContact O-C 3.6Å; T229-G314 WeakPolarHBondContact O-CA 3.29Å; T229-D315 PolarHBondContact O-N 3.19Å | ||
| 230 | S | 92 | Very high | 96.1 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -78 | -24 | 179.1 | -36.3 | 0 | 0 | 0 | 0 | 114.2 | F21 V316 | F21-S230 WeakPolarHBondContact CD1-OG 3.13Å; F21-S230 WeakPolarHBondContact CE1-OG 3.31Å; F21-S230 WeakPolarHBondContact O-CB 3.42Å; F21-S230 PolarHBondContact O-OG 2.97Å; S230-V316 WeakPolarHBondContact O-CG2 3.28Å; S230-V316 PolarHBondContact O-N 3.08Å |
| 231 | L | 94.8 | Very high | 96 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -117.5 | -169.4 | -165.2 | -65 | -172 | 0 | 0 | 0 | 112.5 | F21 T229 L233 V286 P299 E301 G314 V316 | F21-L231 HydrophobicContact CE2-CD2 4.36Å; F21-L231 HydrophobicContact CE2-CG 4.43Å; T229-L231 WeakPolarHBondContact CG2-O 3.47Å; L231-L233 HydrophobicContact CB-CD2 4.35Å; L231-V286 HydrophobicContact CD2-CG2 3.76Å; L231-P299 WeakPolarHBondContact CB-O 3.37Å; L231-E301 HydrophobicContact CD1-CB 4.17Å; L231-E301 VanDerWaalsContact CD1-OE2 3.3Å; L231-E301 WeakPolarHBondContact CD1-OE2 3.08Å; L231-G314 WeakPolarHBondContact O-CA 3.14Å; L231-G314 PolarHBondContact O-N 3.15Å; L231-V316 HydrophobicContact CD2-CG2 4.29Å |
| 232 | I | 97 | Very high | 96 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 111.9 | 165.5 | -60.8 | 170.5 | 0 | 0 | 0 | 107.3 | I268 L279 P299 F300 E301 W311 I312 L313 V316 | I232-I268 HydrophobicContact CD1-CD1 4.48Å; I232-L279 HydrophobicContact CD1-CD1 4.21Å; I232-P299 PolarHBondContact N-O 3.48Å; I232-F300 HydrophobicContact CB-CD1 3.83Å; I232-F300 HydrophobicContact CB-CE1 3.94Å; I232-F300 HydrophobicContact CD1-CE1 3.95Å; I232-F300 HydrophobicContact CD1-CZ 4.08Å; I232-F300 HydrophobicContact CG2-CD1 3.63Å; I232-F300 HydrophobicContact CG2-CE1 3.53Å; I232-F300 WeakPolarHBondContact O-CA 2.99Å; I232-E301 PolarHBondContact O-N 3.2Å; I232-E301 VanDerWaalsContact O-N 3.12Å; I232-W311 HydrophobicContact CG2-CE3 3.89Å; I232-W311 HydrophobicContact CG2-CZ3 4.21Å; I232-I312 WeakPolarHBondContact CA-O 3.34Å; I232-L313 HydrophobicContact CG1-CD2 4.43Å; I232-L313 HydrophobicContact CG2-CD2 3.88Å; I232-V316 HydrophobicContact CD1-CG1 3.85Å; I232-V316 HydrophobicContact CG1-CB 4.21Å; I232-V316 HydrophobicContact CG1-CG1 4.09Å |
| 233 | L | 97 | Very high | 95.9 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 14% | 0.141 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.6 | 175.6 | -46.6 | -179.5 | 0 | 0 | 0 | 109.6 | T229 L231 E301 H303 L306 W311 I312 | T229-L233 HydrophobicContact CG2-CD1 4Å; T229-L233 HydrophobicContact CG2-CG 3.88Å; L231-L233 HydrophobicContact CB-CD2 4.35Å; L233-E301 WeakPolarHBondContact CA-O 3.15Å; L233-E301 HydrophobicContact CD2-CB 3.75Å; L233-H303 HydrophobicContact CB-CB 4.11Å; L233-H303 HydrophobicContact CD1-CB 4.48Å; L233-L306 HydrophobicContact CB-CD1 4.32Å; L233-W311 WeakPolarHBondContact O-CA 3.4Å; L233-I312 HydrophobicContact CB-CB 4.03Å; L233-I312 HydrophobicContact CB-CD1 4.36Å; L233-I312 HydrophobicContact CB-CG1 4.49Å; L233-I312 HydrophobicContact CD1-CD1 4.08Å; L233-I312 HydrophobicContact CG-CB 4.43Å; L233-I312 PolarHBondContact N-O 2.91Å; L233-I312 PolarHBondContact O-N 2.59Å |
| 234 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E301 H303 | G234-E301 PolarHBondContact N-O 2.94Å; G234-H303 PolarHBondContact O-N 3.21Å |
| 235 | P | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | trans | -65.1 | 140.7 | -178.5 | -15.7 | 29.7 | 0 | 0 | 0 | 110.3 | E237 Q238 V239 S307 P308 Y310 | P235-E237 PolarHBondContact O-N 3.47Å; P235-Q238 PolarHBondContact O-N 2.79Å; P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 3.21Å; P235-S307 WeakPolarHBondContact CG-O 3.31Å; P235-P308 WeakPolarHBondContact CG-O 3.45Å; P235-Y310 WeakPolarHBondContact CD-O 3.3Å | ||
| 236 | P | 95.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 26% | 0.26 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.9 | -42.8 | -169.7 | -30.5 | 35.9 | 0 | 0 | 0 | 115.2 | V239 R240 P302 | P236-V239 PolarHBondContact O-N 3.34Å; P236-R240 VanDerWaalsContact O-CG 3.31Å; P236-R240 WeakPolarHBondContact O-CG 3.47Å; P236-R240 PolarHBondContact O-N 2.85Å; P236-P302 HydrophobicContact CB-CB 4.12Å; P236-P302 HydrophobicContact CG-CB 4.32Å |
| 237 | E | 95 | Very high | 95.2 | Very high | 113 Ų | 113 | 36.1 Ų | 36.1 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -48.2 | -178.2 | -61.7 | -51.9 | 138 | 0 | 0 | 112.4 | P235 V239 R240 Q241 | P235-E237 PolarHBondContact O-N 3.47Å; E237-V239 PolarHBondContact O-N 2.93Å; E237-R240 PolarHBondContact O-N 3.21Å; E237-R240 IonicContact OE1-CZ 3.49Å; E237-R240 IonicContact OE1-NE 2.68Å; E237-R240 IonicContact OE1-NH2 2.96Å; E237-R240 PolarHBondContact OE1-NH2 2.88Å; E237-R240 IonicContact OE2-CZ 3.65Å; E237-R240 IonicContact OE2-NE 3.24Å; E237-R240 IonicContact OE2-NH2 2.92Å; E237-R240 PolarHBondContact OE2-NH2 3.26Å; E237-Q241 PolarHBondContact O-N 3.22Å |
| 238 | Q | 96.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 178.6 | -70.7 | 83 | -27.9 | 0 | 0 | 110.4 | L217 P235 R240 Q241 I242 P308 W311 | L217-Q238 WeakPolarHBondContact O-CG 3.42Å; P235-Q238 PolarHBondContact O-N 2.79Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 3.15Å; Q238-Q241 WeakPolarHBondContact O-CB 2.75Å; Q238-Q241 PolarHBondContact O-N 3.5Å; Q238-I242 VanDerWaalsContact O-CG1 3.22Å; Q238-I242 WeakPolarHBondContact O-CG1 3.14Å; Q238-I242 PolarHBondContact O-N 3.08Å; Q238-P308 PolarHBondContact NE2-O 3.14Å; Q238-P308 VanDerWaalsContact NE2-O 3.16Å; Q238-W311 HydrophobicContact CB-CH2 3.95Å; Q238-W311 HydrophobicContact CB-CZ2 3.78Å; Q238-W311 HydrophobicContact CG-CZ2 4.27Å |
| 239 | V | 96.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | P235 P236 E237 I242 N243 F300 P302 W311 | P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 3.21Å; P236-V239 PolarHBondContact O-N 3.34Å; E237-V239 PolarHBondContact O-N 2.93Å; V239-I242 PolarHBondContact O-N 2.93Å; V239-N243 VanDerWaalsContact CG1-ND2 3.3Å; V239-N243 WeakPolarHBondContact CG1-ND2 3.17Å; V239-N243 WeakPolarHBondContact O-CB 3.33Å; V239-N243 PolarHBondContact O-N 3.44Å; V239-N243 PolarHBondContact O-ND2 3.28Å; V239-F300 HydrophobicContact CG1-CB 4.01Å; V239-P302 HydrophobicContact CB-CB 4.25Å; V239-P302 HydrophobicContact CG1-CB 4.19Å; V239-P302 HydrophobicContact CG1-CG 4.48Å; V239-W311 HydrophobicContact CG2-CH2 4.24Å; V239-W311 HydrophobicContact CG2-CZ3 4.15Å |
| 240 | R | 94.9 | Very high | 94.8 | Very high | 150 Ų | 150 | 45.6 Ų | 45.6 | 57% | 0.566 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.9 | -45 | 172.5 | -74.6 | -165.9 | -59.8 | -155.6 | 13.8 | 111.5 | P236 E237 Q238 I242 N243 S244 | P236-R240 VanDerWaalsContact O-CG 3.31Å; P236-R240 WeakPolarHBondContact O-CG 3.47Å; P236-R240 PolarHBondContact O-N 2.85Å; E237-R240 PolarHBondContact O-N 3.21Å; E237-R240 IonicContact OE1-CZ 3.49Å; E237-R240 IonicContact OE1-NE 2.68Å; E237-R240 IonicContact OE1-NH2 2.96Å; E237-R240 PolarHBondContact OE1-NH2 2.88Å; E237-R240 IonicContact OE2-CZ 3.65Å; E237-R240 IonicContact OE2-NE 3.24Å; E237-R240 IonicContact OE2-NH2 2.92Å; E237-R240 PolarHBondContact OE2-NH2 3.26Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 3.15Å; R240-I242 PolarHBondContact O-N 2.73Å; R240-N243 PolarHBondContact O-N 3.37Å; R240-S244 PolarHBondContact O-N 3.14Å |
| 241 | Q | 95.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.4 | -173.3 | -179.8 | 5.8 | 0 | 0 | 111.7 | L217 E237 Q238 S244 L245 | L217-Q241 HydrophobicContact CD2-CB 4.35Å; L217-Q241 HydrophobicContact CD2-CG 4.14Å; E237-Q241 PolarHBondContact O-N 3.22Å; Q238-Q241 WeakPolarHBondContact O-CB 2.75Å; Q238-Q241 PolarHBondContact O-N 3.5Å; Q241-S244 WeakPolarHBondContact O-CB 3.48Å; Q241-S244 PolarHBondContact O-N 3.28Å; Q241-L245 HydrophobicContact CG-CD1 4.48Å; Q241-L245 WeakPolarHBondContact O-CG 3.22Å; Q241-L245 PolarHBondContact O-N 2.77Å |
| 242 | I | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -49.3 | 176.6 | -67.1 | 168.2 | 0 | 0 | 0 | 111.3 | I212 L217 Q238 V239 R240 S244 L245 L246 F300 W311 | I212-I242 HydrophobicContact CD1-CB 4.33Å; I212-I242 HydrophobicContact CD1-CD1 4.16Å; I212-I242 HydrophobicContact CD1-CG1 3.91Å; I212-I242 HydrophobicContact CD1-CG2 3.53Å; L217-I242 HydrophobicContact CD1-CD1 3.69Å; L217-I242 HydrophobicContact CD1-CG1 3.39Å; L217-I242 HydrophobicContact CD2-CD1 4.49Å; L217-I242 HydrophobicContact CD2-CG1 3.81Å; L217-I242 HydrophobicContact CG-CG1 4.17Å; Q238-I242 VanDerWaalsContact O-CG1 3.22Å; Q238-I242 WeakPolarHBondContact O-CG1 3.14Å; Q238-I242 PolarHBondContact O-N 3.08Å; V239-I242 PolarHBondContact O-N 2.93Å; R240-I242 PolarHBondContact O-N 2.73Å; I242-S244 PolarHBondContact O-N 2.95Å; I242-L245 WeakPolarHBondContact O-CB 3.22Å; I242-L245 PolarHBondContact O-N 2.85Å; I242-L246 HydrophobicContact CG2-CD1 3.88Å; I242-L246 HydrophobicContact CG2-CG 4.22Å; I242-L246 WeakPolarHBondContact O-CG 3.43Å; I242-L246 PolarHBondContact O-N 3Å; I242-F300 HydrophobicContact CB-CD2 4.48Å; I242-F300 HydrophobicContact CD1-CD1 3.81Å; I242-F300 HydrophobicContact CD1-CE1 3.77Å; I242-F300 HydrophobicContact CD1-CG 4.2Å; I242-F300 HydrophobicContact CD1-CZ 4.14Å; I242-F300 HydrophobicContact CG2-CB 4.39Å; I242-F300 HydrophobicContact CG2-CD1 4.45Å; I242-F300 HydrophobicContact CG2-CD2 3.32Å; I242-F300 HydrophobicContact CG2-CE2 3.54Å; I242-F300 HydrophobicContact CG2-CG 3.82Å; I242-F300 HydrophobicContact CG2-CZ 4.19Å; I242-W311 HydrophobicContact CD1-CH2 3.63Å; I242-W311 HydrophobicContact CD1-CZ3 4.11Å |
| 243 | N | 95.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -28 | -178.9 | -79.9 | -44.7 | 0 | 0 | 0 | 112.4 | V239 R240 G247 T248 K255 S298 F300 | V239-N243 VanDerWaalsContact CG1-ND2 3.3Å; V239-N243 WeakPolarHBondContact CG1-ND2 3.17Å; V239-N243 WeakPolarHBondContact O-CB 3.33Å; V239-N243 PolarHBondContact O-N 3.44Å; V239-N243 PolarHBondContact O-ND2 3.28Å; R240-N243 PolarHBondContact O-N 3.37Å; N243-G247 PolarHBondContact O-N 3.43Å; N243-T248 HydrophobicContact CB-CG2 4.32Å; N243-T248 WeakPolarHBondContact CB-OG1 3.46Å; N243-T248 PolarHBondContact O-N 3.43Å; N243-T248 PolarHBondContact O-OG1 2.83Å; N243-K255 HydrophobicContact CB-CG 4.31Å; N243-S298 WeakPolarHBondContact OD1-CB 3.15Å; N243-S298 PolarHBondContact OD1-OG 3.16Å; N243-F300 PolarHBondContact ND2-O 2.98Å |
| 244 | S | 94.2 | Very high | 92.1 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.3 | -44.7 | 168.2 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | R240 Q241 I242 L246 G247 | R240-S244 PolarHBondContact O-N 3.14Å; Q241-S244 WeakPolarHBondContact O-CB 3.48Å; Q241-S244 PolarHBondContact O-N 3.28Å; I242-S244 PolarHBondContact O-N 2.95Å; S244-L246 PolarHBondContact O-N 2.96Å; S244-G247 PolarHBondContact O-N 3.18Å; S244-G247 VanDerWaalsContact O-N 3.09Å |
| 245 | L | 94.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 177.1 | -71.1 | 170.1 | 0 | 0 | 0 | 112.6 | V215 Q241 I242 G247 | V215-L245 HydrophobicContact CB-CD1 4.12Å; V215-L245 HydrophobicContact CG1-CD1 4.4Å; V215-L245 HydrophobicContact CG2-CD1 4.11Å; V215-L245 HydrophobicContact CG2-CD2 4.36Å; Q241-L245 HydrophobicContact CG-CD1 4.48Å; Q241-L245 WeakPolarHBondContact O-CG 3.22Å; Q241-L245 PolarHBondContact O-N 2.77Å; I242-L245 WeakPolarHBondContact O-CB 3.22Å; I242-L245 PolarHBondContact O-N 2.85Å; L245-G247 VanDerWaalsContact C-N 3.32Å |
| 246 | L | 94.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8 | 175.9 | -64.6 | 178.4 | 0 | 0 | 0 | 113.5 | I242 S244 T248 L257 L265 P266 F300 | I242-L246 HydrophobicContact CG2-CD1 3.88Å; I242-L246 HydrophobicContact CG2-CG 4.22Å; I242-L246 WeakPolarHBondContact O-CG 3.43Å; I242-L246 PolarHBondContact O-N 3Å; S244-L246 PolarHBondContact O-N 2.96Å; L246-T248 HydrophobicContact CB-CG2 4.03Å; L246-L257 HydrophobicContact CB-CD2 3.99Å; L246-L257 WeakPolarHBondContact O-CD2 3.42Å; L246-L265 HydrophobicContact CD2-CD2 4.44Å; L246-P266 HydrophobicContact CD2-CG 3.84Å; L246-F300 HydrophobicContact CD1-CD2 4.17Å; L246-F300 HydrophobicContact CD1-CE2 4.47Å |
| 247 | G | 93.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 39.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N243 S244 L245 | N243-G247 PolarHBondContact O-N 3.43Å; S244-G247 PolarHBondContact O-N 3.18Å; S244-G247 VanDerWaalsContact O-N 3.09Å; L245-G247 VanDerWaalsContact C-N 3.32Å |
| 248 | T | 94.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | trans | -76.1 | 151.6 | -177.6 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | N243 L246 K255 S256 L257 | N243-T248 HydrophobicContact CB-CG2 4.32Å; N243-T248 WeakPolarHBondContact CB-OG1 3.46Å; N243-T248 PolarHBondContact O-N 3.43Å; N243-T248 PolarHBondContact O-OG1 2.83Å; L246-T248 HydrophobicContact CB-CG2 4.03Å; T248-K255 HydrophobicContact CG2-CB 4.03Å; T248-S256 CarbonylContact C-O 3.5Å; T248-S256 WeakPolarHBondContact CA-O 3.06Å; T248-S256 VanDerWaalsContact CB-O 3.29Å; T248-S256 WeakPolarHBondContact CB-O 3.32Å; T248-L257 HydrophobicContact CG2-CD2 3.47Å; T248-L257 VanDerWaalsContact CG2-CD2 3.47Å; T248-L257 HydrophobicContact CG2-CG 4.04Å | ||
| 249 | N | 91.5 | Very high | 91.4 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151.7 | 169.5 | -64.3 | -56.6 | 0 | 0 | 0 | 110.7 | Y251 S256 | N249-Y251 PolarHBondContact O-N 3.01Å; N249-S256 PolarHBondContact N-O 3.38Å; N249-S256 PolarHBondContact O-N 2.65Å; N249-S256 PolarHBondContact O-OG 2.91Å |
| 250 | D | 87.9 | Confident | 91.3 | Very high | 115 Ų | 115 | 68.8 Ų | 68.8 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.5 | 174.3 | -76.5 | -57 | 0 | 0 | 0 | 111.8 | K255 | D250-K255 WeakPolarHBondContact OD1-CD 3.41Å; D250-K255 VanDerWaalsContact OD1-CE 3.28Å; D250-K255 WeakPolarHBondContact OD1-CE 3.49Å; D250-K255 IonicContact OD1-NZ 2.71Å; D250-K255 PolarHBondContact OD1-NZ 3.25Å; D250-K255 IonicContact OD2-NZ 2.92Å; D250-K255 PolarHBondContact OD2-NZ 3.18Å |
| 251 | Y | 81.4 | Confident | 91.2 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 107 | 175.6 | -175.9 | -96.4 | 0 | 0 | 0 | 109.2 | N249 G253 R254 I295 | N249-Y251 PolarHBondContact O-N 3.01Å; Y251-G253 VanDerWaalsContact C-N 3.3Å; Y251-G253 PolarHBondContact O-N 3.23Å; Y251-R254 PolarHBondContact N-O 3.44Å; Y251-R254 PolarHBondContact O-N 2.82Å; Y251-I295 HydrophobicContact CD1-CD1 4.3Å; Y251-I295 HydrophobicContact CE1-CD1 4.05Å; Y251-I295 HydrophobicContact CE1-CG2 4.13Å |
| 252 | F | 78.9 | Confident | 91.1 | Very high | 185 Ų | 185 | 64.9 Ų | 64.9 | 81% | 0.811 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 48.6 | -179.2 | -68.7 | -88.9 | 0 | 0 | 0 | 113.6 | R254 | F252-R254 PolarHBondContact O-N 2.85Š|
| 253 | G | 79.6 | Confident | 91 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 81% | 0.814 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -2.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y251 | Y251-G253 VanDerWaalsContact C-N 3.3Å; Y251-G253 PolarHBondContact O-N 3.23Å |
| 254 | R | 84 | Confident | 90.9 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 152.5 | 174.7 | -64.7 | -82.8 | -176.8 | 167.4 | -2.8 | 110.6 | Y251 F252 S256 V297 E301 | Y251-R254 PolarHBondContact N-O 3.44Å; Y251-R254 PolarHBondContact O-N 2.82Å; F252-R254 PolarHBondContact O-N 2.85Å; R254-S256 PolarHBondContact O-N 2.73Å; R254-V297 HydrophobicContact CB-CG1 4.04Å; R254-E301 IonicContact CZ-OE2 2.66Å; R254-E301 IonicContact NH1-OE2 2.68Å; R254-E301 PolarHBondContact NH1-OE2 2.95Å |
| 255 | K | 92.9 | Very high | 91 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 30% | 0.3 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 100.5 | 175.8 | -64.3 | -60.5 | -175.4 | -175.1 | 0 | 110.5 | N243 T248 D250 V297 S298 | N243-K255 HydrophobicContact CB-CG 4.31Å; T248-K255 HydrophobicContact CG2-CB 4.03Å; D250-K255 WeakPolarHBondContact OD1-CD 3.41Å; D250-K255 VanDerWaalsContact OD1-CE 3.28Å; D250-K255 WeakPolarHBondContact OD1-CE 3.49Å; D250-K255 IonicContact OD1-NZ 2.71Å; D250-K255 PolarHBondContact OD1-NZ 3.25Å; D250-K255 IonicContact OD2-NZ 2.92Å; D250-K255 PolarHBondContact OD2-NZ 3.18Å; K255-V297 WeakPolarHBondContact O-CA 3.2Å; K255-V297 WeakPolarHBondContact O-CG1 3.45Å; K255-S298 PolarHBondContact O-N 2.67Å |
| 256 | S | 93.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 151.5 | -179.7 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | T248 N249 R254 C296 | T248-S256 CarbonylContact C-O 3.5Å; T248-S256 WeakPolarHBondContact CA-O 3.06Å; T248-S256 VanDerWaalsContact CB-O 3.29Å; T248-S256 WeakPolarHBondContact CB-O 3.32Å; N249-S256 PolarHBondContact N-O 3.38Å; N249-S256 PolarHBondContact O-N 2.65Å; N249-S256 PolarHBondContact O-OG 2.91Å; R254-S256 PolarHBondContact O-N 2.73Å; S256-C296 CarbonylContact C-O 3.6Å; S256-C296 VanDerWaalsContact CA-O 3.3Å; S256-C296 WeakPolarHBondContact CA-O 3.15Å |
| 257 | L | 94.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.7 | 178 | -68 | 165.9 | 0 | 0 | 0 | 109.3 | L246 T248 C259 L265 V285 C296 | L246-L257 HydrophobicContact CB-CD2 3.99Å; L246-L257 WeakPolarHBondContact O-CD2 3.42Å; T248-L257 HydrophobicContact CG2-CD2 3.47Å; T248-L257 VanDerWaalsContact CG2-CD2 3.47Å; T248-L257 HydrophobicContact CG2-CG 4.04Å; L257-C259 PolarHBondContact O-N 2.77Å; L257-L265 HydrophobicContact CD1-CD1 4.01Å; L257-L265 HydrophobicContact CD2-CD1 4.31Å; L257-L265 HydrophobicContact CD2-CD2 4.24Å; L257-V285 HydrophobicContact CD1-CG1 4.14Å; L257-V285 HydrophobicContact CD1-CG2 3.89Å; L257-C296 HydrophobicContact CB-CB 4.15Å; L257-C296 PolarHBondContact N-O 2.83Å |
| 258 | D | 92.4 | Very high | 91.4 | Very high | 96 Ų | 96 | 72.7 Ų | 72.7 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | trans | -69.6 | 111.3 | 169.3 | -177.5 | -5.5 | 0 | 0 | 0 | 110.3 | G260 R261 | D258-G260 PolarHBondContact O-N 3.34Å; D258-G260 PolarHBondContact OD1-N 3.46Å; D258-R261 HydrophobicContact CB-CB 4.27Å; D258-R261 HydrophobicContact CB-CG 4.33Å; D258-R261 PolarHBondContact O-N 2.89Å; D258-R261 WeakPolarHBondContact OD2-CD 3.41Å; D258-R261 VanDerWaalsContact OD2-CG 3.29Å; D258-R261 WeakPolarHBondContact OD2-CG 3.45Å | ||
| 259 | C | 92.9 | Very high | 91.5 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -59.6 | -25.1 | 177.6 | -72 | 0 | 0 | 0 | 0 | 113.9 | L257 R261 I262 C296 | L257-C259 PolarHBondContact O-N 2.77Å; C259-R261 VanDerWaalsContact C-N 3.3Å; C259-I262 WeakPolarHBondContact O-CG1 3.45Å; C259-C296 WeakPolarHBondContact CA-SG 3.38Å; C259-C296 HydrophobicContact CB-CB 4.12Å; C259-C296 WeakPolarHBondContact CB-SG 3.47Å; C259-C296 WeakPolarHBondContact SG-CB 3.4Å; C259-C296 PolarHBondContact SG-N 2.66Å; C259-C296 CovalentContact SG-SG 2.04Å; C259-C296 PolarHBondContact SG-SG 3.01Å |
| 260 | G | 93.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -77 | -14.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D258 | D258-G260 PolarHBondContact O-N 3.34Å; D258-G260 PolarHBondContact OD1-N 3.46Å |
| 261 | R | 92.5 | Very high | 92.3 | Very high | 148 Ų | 148 | 65 Ų | 65 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -116.1 | 15.2 | -174.7 | -60.3 | -179.4 | 77.8 | -175.5 | 4.3 | 113.6 | D258 C259 D263 M264 | D258-R261 HydrophobicContact CB-CB 4.27Å; D258-R261 HydrophobicContact CB-CG 4.33Å; D258-R261 PolarHBondContact O-N 2.89Å; D258-R261 WeakPolarHBondContact OD2-CD 3.41Å; D258-R261 VanDerWaalsContact OD2-CG 3.29Å; D258-R261 WeakPolarHBondContact OD2-CG 3.45Å; C259-R261 VanDerWaalsContact C-N 3.3Å; R261-D263 VanDerWaalsContact C-N 3.26Å; R261-D263 PolarHBondContact O-N 2.85Å; R261-M264 HydrophobicContact CB-SD 4.36Å; R261-M264 HydrophobicContact CG-SD 4.31Å; R261-M264 WeakPolarHBondContact O-CB 3.35Å; R261-M264 PolarHBondContact O-N 3.14Å |
| 262 | I | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -52.2 | -45.7 | -179.5 | -66.7 | 174.1 | 0 | 0 | 0 | 111.4 | C259 M264 L265 P281 V285 | C259-I262 WeakPolarHBondContact O-CG1 3.45Å; I262-M264 PolarHBondContact O-N 2.76Å; I262-M264 VanDerWaalsContact O-N 3.15Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.8Å; I262-L265 VanDerWaalsContact O-N 3.1Å; I262-P281 HydrophobicContact CG2-CB 3.78Å; I262-P281 WeakPolarHBondContact O-CB 3.12Å; I262-P281 WeakPolarHBondContact O-CG 3.19Å; I262-V285 HydrophobicContact CD1-CG1 4.04Å; I262-V285 HydrophobicContact CG1-CG1 4.21Å; I262-V285 HydrophobicContact CG2-CB 4.43Å; I262-V285 HydrophobicContact CG2-CG2 4.14Å |
| 263 | D | 93.4 | Very high | 93.7 | Very high | 148 Ų | 148 | 56.7 Ų | 56.7 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -68.8 | -13.2 | -176.3 | -64.3 | -37.4 | 0 | 0 | 0 | 113.5 | R261 | R261-D263 VanDerWaalsContact C-N 3.26Å; R261-D263 PolarHBondContact O-N 2.85Å |
| 264 | M | 95 | Very high | 94.3 | Very high | 143 Ų | 143 | 63 Ų | 63 | 70% | 0.704 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -90.3 | -10.3 | 175.5 | -59.6 | 179.7 | 178.2 | 0 | 0 | 113.3 | R261 I262 | R261-M264 HydrophobicContact CB-SD 4.36Å; R261-M264 HydrophobicContact CG-SD 4.31Å; R261-M264 WeakPolarHBondContact O-CB 3.35Å; R261-M264 PolarHBondContact O-N 3.14Å; I262-M264 PolarHBondContact O-N 2.76Å; I262-M264 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 96.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.6 | 150.8 | -178.9 | -61.2 | 170.4 | 0 | 0 | 0 | 110.9 | L246 L257 I262 P281 Y284 V285 | L246-L265 HydrophobicContact CD2-CD2 4.44Å; L257-L265 HydrophobicContact CD1-CD1 4.01Å; L257-L265 HydrophobicContact CD2-CD1 4.31Å; L257-L265 HydrophobicContact CD2-CD2 4.24Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.8Å; I262-L265 VanDerWaalsContact O-N 3.1Å; L265-P281 HydrophobicContact CB-CB 3.99Å; L265-P281 HydrophobicContact CB-CG 3.77Å; L265-P281 WeakPolarHBondContact O-CG 2.97Å; L265-Y284 WeakPolarHBondContact CB-OH 3.47Å; L265-Y284 HydrophobicContact CD1-CE2 4.43Å; L265-V285 HydrophobicContact CD1-CG2 3.61Å |
| 266 | P | 96.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 63 Ų | 63 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 156.9 | 178.9 | 28.6 | -35.8 | 0 | 0 | 0 | 111.9 | I212 N213 L246 Y284 | I212-P266 HydrophobicContact CG2-CB 3.95Å; I212-P266 HydrophobicContact CG2-CG 3.54Å; N213-P266 HydrophobicContact CB-CB 3.87Å; N213-P266 HydrophobicContact CB-CG 4.27Å; L246-P266 HydrophobicContact CD2-CG 3.84Å; P266-Y284 VanDerWaalsContact O-CE1 3.29Å; P266-Y284 WeakPolarHBondContact O-CE1 3.19Å; P266-Y284 PolarHBondContact O-OH 3.46Å |
| 267 | S | 96.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 150.1 | 168.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | L279 | S267-L279 CarbonylContact C-O 3.55Å; S267-L279 WeakPolarHBondContact CA-O 3.25Å |
| 268 | I | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.3 | 170.5 | -51.7 | 159.5 | 0 | 0 | 0 | 107.6 | L210 I212 I232 L270 I278 L279 Y284 P299 F300 | L210-I268 HydrophobicContact CD1-CG2 3.56Å; I212-I268 HydrophobicContact CD1-CG1 3.92Å; I212-I268 HydrophobicContact CD1-CG2 4.37Å; I212-I268 HydrophobicContact CG1-CB 4.31Å; I212-I268 HydrophobicContact CG1-CG1 4.06Å; I212-I268 HydrophobicContact CG1-CG2 4.1Å; I232-I268 HydrophobicContact CD1-CD1 4.48Å; I268-L270 HydrophobicContact CG2-CD1 3.88Å; I268-L270 HydrophobicContact CG2-CG 4.29Å; I268-I278 CarbonylContact O-C 3.54Å; I268-I278 WeakPolarHBondContact O-CA 3.39Å; I268-L279 HydrophobicContact CB-CB 4.13Å; I268-L279 HydrophobicContact CD1-CB 4.3Å; I268-L279 HydrophobicContact CD1-CD1 4.25Å; I268-L279 PolarHBondContact N-O 2.6Å; I268-L279 PolarHBondContact O-N 2.65Å; I268-Y284 HydrophobicContact CD1-CD1 3.38Å; I268-Y284 HydrophobicContact CD1-CD2 4.19Å; I268-Y284 HydrophobicContact CD1-CE1 3.86Å; I268-Y284 HydrophobicContact CD1-CG 3.56Å; I268-Y284 HydrophobicContact CG1-CD1 3.84Å; I268-Y284 HydrophobicContact CG1-CE1 3.86Å; I268-Y284 HydrophobicContact CG1-CG 4.46Å; I268-P299 HydrophobicContact CD1-CG 4.4Å; I268-F300 HydrophobicContact CD1-CE2 3.51Å; I268-F300 HydrophobicContact CD1-CZ 3.51Å; I268-F300 HydrophobicContact CG1-CE2 4.09Å; I268-F300 HydrophobicContact CG1-CZ 4.02Å; I268-F300 HydrophobicContact CG2-CZ 4.24Å |
| 269 | E | 97.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122 | 176 | -55.8 | -167.8 | 133.3 | 0 | 0 | 109.8 | L210 R211 K276 | L210-E269 WeakPolarHBondContact CA-O 3.44Å; R211-E269 HydrophobicContact CB-CB 4.29Å; R211-E269 PolarHBondContact N-O 2.84Å; R211-E269 PolarHBondContact O-N 2.96Å; E269-K276 HydrophobicContact CB-CD 4.35Å; E269-K276 HydrophobicContact CG-CD 4.47Å; E269-K276 IonicContact OE1-NZ 3.51Å; E269-K276 PolarHBondContact OE1-NZ 3.42Å |
| 270 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.4 | 174.5 | -52 | 95.8 | 0 | 0 | 0 | 108.6 | M207 S209 L210 I268 F272 Y277 L279 L313 F317 | M207-L270 HydrophobicContact SD-CB 4.12Å; M207-L270 HydrophobicContact SD-CD2 3.76Å; M207-L270 HydrophobicContact SD-CG 4.32Å; S209-L270 WeakPolarHBondContact O-CA 3.38Å; L210-L270 HydrophobicContact CD1-CD2 3.95Å; L210-L270 HydrophobicContact CD1-CG 3.77Å; I268-L270 HydrophobicContact CG2-CD1 3.88Å; I268-L270 HydrophobicContact CG2-CG 4.29Å; L270-F272 HydrophobicContact CB-CD2 4.4Å; L270-F272 HydrophobicContact CB-CE2 3.83Å; L270-F272 HydrophobicContact CD2-CE2 4.44Å; L270-Y277 PolarHBondContact N-O 3.15Å; L270-Y277 PolarHBondContact O-N 3.04Å; L270-L279 HydrophobicContact CD1-CD1 4Å; L270-L279 HydrophobicContact CD1-CG 3.88Å; L270-L313 HydrophobicContact CD2-CD1 3.83Å; L270-L313 HydrophobicContact CD2-CD2 4Å; L270-F317 HydrophobicContact CD1-CD2 4.33Å; L270-F317 HydrophobicContact CD1-CE2 4.42Å; L270-F317 HydrophobicContact CD2-CD2 4.09Å; L270-F317 HydrophobicContact CD2-CE2 4.17Å |
| 271 | I | 97.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.9 | -179.2 | -54.8 | -178.9 | 0 | 0 | 0 | 109.1 | L208 S209 K276 | L208-I271 HydrophobicContact CB-CB 4.41Å; L208-I271 HydrophobicContact CB-CG2 4.24Å; L208-I271 HydrophobicContact CD1-CG2 4.31Å; L208-I271 PolarHBondContact N-O 3.11Å; S209-I271 PolarHBondContact O-N 3.26Å; I271-K276 HydrophobicContact CG1-CB 4.29Å; I271-K276 HydrophobicContact CG1-CD 4.43Å; I271-K276 HydrophobicContact CG1-CG 4.11Å |
| 272 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.7 | 174.2 | -68.3 | -85.2 | 0 | 0 | 0 | 108.6 | I195 I205 Q206 M207 A223 L270 R274 K275 Y277 L313 F317 L334 | I195-F272 HydrophobicContact CD1-CB 4Å; I195-F272 HydrophobicContact CG1-CB 4.23Å; I205-F272 HydrophobicContact CD1-CD1 3.63Å; I205-F272 HydrophobicContact CD1-CE1 3.56Å; I205-F272 HydrophobicContact CD1-CZ 4.4Å; I205-F272 HydrophobicContact CG1-CD1 4.19Å; I205-F272 HydrophobicContact CG1-CE1 3.87Å; Q206-F272 WeakPolarHBondContact O-CD1 3.48Å; M207-F272 HydrophobicContact CB-CD1 4.16Å; M207-F272 HydrophobicContact CB-CE1 3.56Å; M207-F272 HydrophobicContact CB-CZ 3.95Å; M207-F272 HydrophobicContact CG-CE1 3.96Å; M207-F272 HydrophobicContact CG-CE2 4.38Å; M207-F272 HydrophobicContact CG-CZ 3.89Å; M207-F272 HydrophobicContact SD-CE1 4.4Å; M207-F272 HydrophobicContact SD-CE2 4.25Å; M207-F272 HydrophobicContact SD-CZ 3.79Å; A223-F272 HydrophobicContact CB-CE1 4.01Å; A223-F272 HydrophobicContact CB-CZ 4.15Å; L270-F272 HydrophobicContact CB-CD2 4.4Å; L270-F272 HydrophobicContact CB-CE2 3.83Å; L270-F272 HydrophobicContact CD2-CE2 4.44Å; F272-R274 PolarHBondContact O-N 3.04Å; F272-K275 PolarHBondContact N-O 3.18Å; F272-K275 PolarHBondContact O-N 3.36Å; F272-Y277 HydrophobicContact CB-CE2 4.29Å; F272-Y277 AromaticContact CD2-CD2 3.83Å; F272-Y277 HydrophobicContact CD2-CD2 3.83Å; F272-Y277 HydrophobicContact CD2-CE2 4.08Å; F272-L313 HydrophobicContact CE2-CD1 4.27Å; F272-L313 HydrophobicContact CZ-CD1 3.63Å; F272-F317 AromaticContact CE2-CE2 3.99Å; F272-F317 HydrophobicContact CE2-CE2 3.99Å; F272-F317 AromaticContact CE2-CZ 3.88Å; F272-F317 HydrophobicContact CE2-CZ 3.88Å; F272-F317 HydrophobicContact CZ-CZ 4.43Å; F272-L334 HydrophobicContact CB-CD1 4.37Å; F272-L334 HydrophobicContact CD1-CD1 4.49Å; F272-L334 HydrophobicContact CD2-CD1 4.04Å; F272-L334 HydrophobicContact CE2-CD1 4.46Å; F272-L334 HydrophobicContact CG-CD1 4.05Å |
| 273 | H | 93.4 | Very high | 95.5 | Very high | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | -110.3 | -175.8 | -172.8 | -145.1 | 0 | 0 | 0 | 111.7 | E193 I195 L208 | E193-H273 IonicContact OE1-CE1 3.64Å; E193-H273 IonicContact OE1-CG 3.53Å; E193-H273 IonicContact OE1-ND1 2.65Å; E193-H273 PolarHBondContact OE1-ND1 3.07Å; I195-H273 HydrophobicContact CG1-CB 4.28Å; L208-H273 WeakPolarHBondContact CD1-O 3.29Å |
| 274 | R | 91 | Very high | 95.5 | Very high | 212 Ų | 212 | 51.9 Ų | 51.9 | 80% | 0.8 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.3 | -178.4 | -61.8 | 177.9 | -173.4 | -147.5 | -0.6 | 114.2 | F272 | F272-R274 PolarHBondContact O-N 3.04Š|
| 275 | K | 95.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.2 | -169.9 | -166.3 | 158.5 | 171.2 | -178.1 | 0 | 111.4 | E193 F272 Y277 D336 | E193-K275 HydrophobicContact CB-CB 4.22Å; E193-K275 HydrophobicContact CB-CD 4.13Å; E193-K275 HydrophobicContact CG-CB 4.04Å; F272-K275 PolarHBondContact N-O 3.18Å; F272-K275 PolarHBondContact O-N 3.36Å; K275-Y277 HydrophobicContact CB-CE2 3.98Å; K275-Y277 HydrophobicContact CD-CE1 4.03Å; K275-Y277 HydrophobicContact CD-CE2 4.35Å; K275-Y277 WeakPolarHBondContact CD-OH 3.39Å; K275-Y277 HydrophobicContact CG-CE1 4.16Å; K275-Y277 HydrophobicContact CG-CE2 3.9Å; K275-D336 IonicContact NZ-OD2 3.17Å |
| 276 | K | 95.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 45% | 0.452 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124 | 173.7 | -179 | 170.5 | 70.7 | 158.1 | 0 | 109.7 | E269 I271 I278 | E269-K276 HydrophobicContact CB-CD 4.35Å; E269-K276 HydrophobicContact CG-CD 4.47Å; E269-K276 IonicContact OE1-NZ 3.51Å; E269-K276 PolarHBondContact OE1-NZ 3.42Å; I271-K276 HydrophobicContact CG1-CB 4.29Å; I271-K276 HydrophobicContact CG1-CD 4.43Å; I271-K276 HydrophobicContact CG1-CG 4.11Å; K276-I278 HydrophobicContact CG-CG1 4.24Å |
| 277 | Y | 96.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132 | 174.8 | -61.3 | -82.7 | 0 | 0 | 0 | 110 | E193 L270 F272 K275 I321 L334 | E193-Y277 WeakPolarHBondContact CB-OH 3.49Å; L270-Y277 PolarHBondContact N-O 3.15Å; L270-Y277 PolarHBondContact O-N 3.04Å; F272-Y277 HydrophobicContact CB-CE2 4.29Å; F272-Y277 AromaticContact CD2-CD2 3.83Å; F272-Y277 HydrophobicContact CD2-CD2 3.83Å; F272-Y277 HydrophobicContact CD2-CE2 4.08Å; K275-Y277 HydrophobicContact CB-CE2 3.98Å; K275-Y277 HydrophobicContact CD-CE1 4.03Å; K275-Y277 HydrophobicContact CD-CE2 4.35Å; K275-Y277 WeakPolarHBondContact CD-OH 3.39Å; K275-Y277 HydrophobicContact CG-CE1 4.16Å; K275-Y277 HydrophobicContact CG-CE2 3.9Å; Y277-I321 HydrophobicContact CD1-CD1 3.23Å; Y277-I321 HydrophobicContact CD1-CG1 4.22Å; Y277-I321 HydrophobicContact CE1-CD1 3.84Å; Y277-I321 HydrophobicContact CE1-CG2 4.34Å; Y277-I321 HydrophobicContact CG-CD1 3.92Å; Y277-L334 HydrophobicContact CE1-CB 4.37Å; Y277-L334 HydrophobicContact CE2-CB 4.26Å; Y277-L334 HydrophobicContact CE2-CD1 4.06Å; Y277-L334 WeakPolarHBondContact OH-CB 3.45Å; Y277-L334 PolarHBondContact OH-O 3.25Å |
| 278 | I | 96 | Very high | 94 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116 | -174.9 | -56.5 | 178.5 | 0 | 0 | 0 | 109.7 | I268 K276 | I268-I278 CarbonylContact O-C 3.54Å; I268-I278 WeakPolarHBondContact O-CA 3.39Å; K276-I278 HydrophobicContact CG-CG1 4.24Å |
| 279 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 108.3 | 168.2 | -48.9 | -177.1 | 0 | 0 | 0 | 108.7 | I232 S267 I268 L270 H283 Y284 V316 R320 | I232-L279 HydrophobicContact CD1-CD1 4.21Å; S267-L279 CarbonylContact C-O 3.55Å; S267-L279 WeakPolarHBondContact CA-O 3.25Å; I268-L279 HydrophobicContact CB-CB 4.13Å; I268-L279 HydrophobicContact CD1-CB 4.3Å; I268-L279 HydrophobicContact CD1-CD1 4.25Å; I268-L279 PolarHBondContact N-O 2.6Å; I268-L279 PolarHBondContact O-N 2.65Å; L270-L279 HydrophobicContact CD1-CD1 4Å; L270-L279 HydrophobicContact CD1-CG 3.88Å; L279-H283 HydrophobicContact CB-CB 4.38Å; L279-Y284 HydrophobicContact CB-CD1 3.97Å; L279-Y284 WeakPolarHBondContact O-CD1 3.36Å; L279-Y284 WeakPolarHBondContact O-CE1 3.42Å; L279-V316 HydrophobicContact CD1-CG1 4.29Å; L279-R320 HydrophobicContact CD2-CB 3.58Å; L279-R320 HydrophobicContact CD2-CG 3.59Å |
| 280 | K | 95.6 | Very high | 91.9 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | trans | -71.4 | 160.3 | 170.4 | -63.2 | -174.8 | 179 | -174.2 | 0 | 109.6 | R282 H283 Y284 | K280-R282 HydrophobicContact CB-CG 4.25Å; K280-R282 PolarHBondContact O-N 3.05Å; K280-R282 VanDerWaalsContact O-N 3.14Å; K280-H283 PolarHBondContact N-ND1 2.93Å; K280-H283 VanDerWaalsContact N-ND1 3.14Å; K280-H283 WeakPolarHBondContact O-CA 3.23Å; K280-H283 VanDerWaalsContact O-CB 3.32Å; K280-H283 WeakPolarHBondContact O-CB 3.46Å; K280-H283 PolarHBondContact O-N 3.45Å; K280-Y284 WeakPolarHBondContact O-CD1 3.23Å; K280-Y284 PolarHBondContact O-N 2.98Å | ||
| 281 | P | 95.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -50.1 | -43.3 | 178.2 | -30.5 | 36.7 | 0 | 0 | 0 | 114.4 | I262 L265 H283 Y284 V285 | I262-P281 HydrophobicContact CG2-CB 3.78Å; I262-P281 WeakPolarHBondContact O-CB 3.12Å; I262-P281 WeakPolarHBondContact O-CG 3.19Å; L265-P281 HydrophobicContact CB-CB 3.99Å; L265-P281 HydrophobicContact CB-CG 3.77Å; L265-P281 WeakPolarHBondContact O-CG 2.97Å; P281-H283 PolarHBondContact O-N 3.24Å; P281-H283 VanDerWaalsContact O-N 3.12Å; P281-Y284 VanDerWaalsContact CA-CZ 3.49Å; P281-Y284 HydrophobicContact CB-CE1 4.31Å; P281-Y284 HydrophobicContact CG-CE1 4.24Å; P281-Y284 PolarHBondContact O-N 3.23Å; P281-V285 WeakPolarHBondContact O-CB 3.32Å; P281-V285 WeakPolarHBondContact O-CG2 3.4Å; P281-V285 PolarHBondContact O-N 3.25Å |
| 282 | R | 92.3 | Very high | 89.7 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61 | -21.6 | 176.3 | 74.1 | -176.1 | -177.3 | -162.1 | 6.9 | 114 | R168 K280 | R168-R282 PolarHBondContact NH1-O 3.29Å; R168-R282 VanDerWaalsContact NH1-O 3.15Å; R168-R282 PolarHBondContact NH2-O 3.39Å; K280-R282 HydrophobicContact CB-CG 4.25Å; K280-R282 PolarHBondContact O-N 3.05Å; K280-R282 VanDerWaalsContact O-N 3.14Å |
| 283 | H | 93 | Very high | 89 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 2% | 0.023 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84 | -38.5 | 178.8 | -53.8 | 157.1 | 0 | 0 | 0 | 111.7 | L279 K280 P281 A340 | L279-H283 HydrophobicContact CB-CB 4.38Å; K280-H283 PolarHBondContact N-ND1 2.93Å; K280-H283 VanDerWaalsContact N-ND1 3.14Å; K280-H283 WeakPolarHBondContact O-CA 3.23Å; K280-H283 VanDerWaalsContact O-CB 3.32Å; K280-H283 WeakPolarHBondContact O-CB 3.46Å; K280-H283 PolarHBondContact O-N 3.45Å; P281-H283 PolarHBondContact O-N 3.24Å; P281-H283 VanDerWaalsContact O-N 3.12Å; H283-A340 PolarHBondContact CD2-OXT 2.82Å; H283-A340 PolarHBondContact NE2-OXT 3.18Å |
| 284 | Y | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -103.4 | -27.8 | -169.5 | 69.4 | -115 | 0 | 0 | 0 | 114.6 | L265 P266 I268 L279 K280 P281 V286 P299 | L265-Y284 WeakPolarHBondContact CB-OH 3.47Å; L265-Y284 HydrophobicContact CD1-CE2 4.43Å; P266-Y284 VanDerWaalsContact O-CE1 3.29Å; P266-Y284 WeakPolarHBondContact O-CE1 3.19Å; P266-Y284 PolarHBondContact O-OH 3.46Å; I268-Y284 HydrophobicContact CD1-CD1 3.38Å; I268-Y284 HydrophobicContact CD1-CD2 4.19Å; I268-Y284 HydrophobicContact CD1-CE1 3.86Å; I268-Y284 HydrophobicContact CD1-CG 3.56Å; I268-Y284 HydrophobicContact CG1-CD1 3.84Å; I268-Y284 HydrophobicContact CG1-CE1 3.86Å; I268-Y284 HydrophobicContact CG1-CG 4.46Å; L279-Y284 HydrophobicContact CB-CD1 3.97Å; L279-Y284 WeakPolarHBondContact O-CD1 3.36Å; L279-Y284 WeakPolarHBondContact O-CE1 3.42Å; K280-Y284 WeakPolarHBondContact O-CD1 3.23Å; K280-Y284 PolarHBondContact O-N 2.98Å; P281-Y284 VanDerWaalsContact CA-CZ 3.49Å; P281-Y284 HydrophobicContact CB-CE1 4.31Å; P281-Y284 HydrophobicContact CG-CE1 4.24Å; P281-Y284 PolarHBondContact O-N 3.23Å; Y284-V286 PolarHBondContact O-N 2.95Å; Y284-P299 HydrophobicContact CD2-CG 3.57Å; Y284-P299 HydrophobicContact CE2-CG 4.46Å; Y284-P299 HydrophobicContact CG-CG 4.03Å; Y284-P299 WeakPolarHBondContact O-CB 3.47Å |
| 285 | V | 94.1 | Very high | 88.6 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 123.8 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 110 | L257 I262 L265 P281 C296 | L257-V285 HydrophobicContact CD1-CG1 4.14Å; L257-V285 HydrophobicContact CD1-CG2 3.89Å; I262-V285 HydrophobicContact CD1-CG1 4.04Å; I262-V285 HydrophobicContact CG1-CG1 4.21Å; I262-V285 HydrophobicContact CG2-CB 4.43Å; I262-V285 HydrophobicContact CG2-CG2 4.14Å; L265-V285 HydrophobicContact CD1-CG2 3.61Å; P281-V285 WeakPolarHBondContact O-CB 3.32Å; P281-V285 WeakPolarHBondContact O-CG2 3.4Å; P281-V285 PolarHBondContact O-N 3.25Å; V285-C296 HydrophobicContact CG1-CB 3.83Å |
| 286 | V | 90.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.2 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | L231 Y284 K288 C296 V297 V316 | L231-V286 HydrophobicContact CD2-CG2 3.76Å; Y284-V286 PolarHBondContact O-N 2.95Å; V286-K288 HydrophobicContact CG1-CG 4.18Å; V286-C296 CarbonylContact O-C 3.52Å; V286-C296 WeakPolarHBondContact O-CA 3.4Å; V286-V297 HydrophobicContact CB-CB 4.4Å; V286-V297 PolarHBondContact N-O 3.37Å; V286-V297 PolarHBondContact O-N 3.25Å; V286-V316 HydrophobicContact CG2-CG2 4.27Å |
| 287 | K | 88 | Confident | 88.4 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.4 | 177.7 | -63.5 | 175 | -178.6 | 173.5 | 0 | 108.3 | I295 | K287-I295 WeakPolarHBondContact CA-O 3.32Å |
| 288 | K | 80.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153.7 | 173.6 | -59.5 | -170.2 | 171.6 | -168.4 | 0 | 109.5 | V286 P290 K294 I295 | V286-K288 HydrophobicContact CG1-CG 4.18Å; K288-P290 VanDerWaalsContact C-CD 3.43Å; K288-K294 WeakPolarHBondContact O-CA 3.46Å; K288-I295 HydrophobicContact CB-CD1 4.12Å; K288-I295 HydrophobicContact CB-CG1 3.74Å; K288-I295 PolarHBondContact N-O 3.49Å; K288-I295 PolarHBondContact O-N 3.12Å |
| 289 | T | 79 | Confident | 88.3 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | trans | -129.5 | 60.1 | 176.5 | -46.1 | 0 | 0 | 0 | 0 | 110.8 | L291 L293 | T289-L291 PolarHBondContact O-N 2.9Å; T289-L293 CarbonylContact C-O 3.57Å; T289-L293 WeakPolarHBondContact CA-O 3.44Å | ||
| 290 | P | 71.2 | Confident | 88.3 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -63.2 | 133.4 | 174.2 | 28.4 | -35.2 | 0 | 0 | 0 | 110.1 | K288 F292 L293 I295 | K288-P290 VanDerWaalsContact C-CD 3.43Å; P290-F292 PolarHBondContact O-N 3.05Å; P290-F292 VanDerWaalsContact O-N 3.08Å; P290-L293 VanDerWaalsContact CD-O 3.27Å; P290-L293 WeakPolarHBondContact CD-O 3.33Å; P290-L293 PolarHBondContact O-N 3.45Å; P290-I295 HydrophobicContact CG-CD1 3.86Å; P290-I295 HydrophobicContact CG-CG1 4.21Å |
| 291 | L | 74.2 | Confident | 88.2 | Confident | 168 Ų | 168 | 56.2 Ų | 56.2 | 88% | 0.88 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | 48.7 | 40.5 | 174 | -62 | 166.7 | 0 | 0 | 0 | 113.4 | T289 L293 | T289-L291 PolarHBondContact O-N 2.9Å; L291-L293 PolarHBondContact O-N 2.96Å |
| 292 | F | 74.9 | Confident | 88.2 | Confident | 203 Ų | 203 | 58.6 Ų | 58.6 | 89% | 0.89 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | 67.3 | 2.7 | -177.9 | -49.7 | -81.2 | 0 | 0 | 0 | 116.3 | P290 | P290-F292 PolarHBondContact O-N 3.05Å; P290-F292 VanDerWaalsContact O-N 3.08Å |
| 293 | L | 82.3 | Confident | 88.2 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | trans | -92.9 | 117.1 | 173.5 | -177 | 64.5 | 0 | 0 | 0 | 110.5 | T289 P290 L291 I295 | T289-L293 CarbonylContact C-O 3.57Å; T289-L293 WeakPolarHBondContact CA-O 3.44Å; P290-L293 VanDerWaalsContact CD-O 3.27Å; P290-L293 WeakPolarHBondContact CD-O 3.33Å; P290-L293 PolarHBondContact O-N 3.45Å; L291-L293 PolarHBondContact O-N 2.96Å; L293-I295 HydrophobicContact CD2-CG2 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.18Å; L293-I295 PolarHBondContact O-N 3.4Å | ||
| 294 | K | 86.4 | Confident | 88.1 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 52% | 0.522 | 31% | 0.311 | S | S | . | . | trans | -74.3 | 117 | 174.9 | -176 | -177.4 | 175.8 | -173.2 | 0 | 110.3 | K288 | K288-K294 WeakPolarHBondContact O-CA 3.46Š| ||
| 295 | I | 89.7 | Confident | 87.8 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.7 | 173.2 | 66.6 | 173.8 | 0 | 0 | 0 | 110.4 | Y251 K287 K288 P290 L293 V297 | Y251-I295 HydrophobicContact CD1-CD1 4.3Å; Y251-I295 HydrophobicContact CE1-CD1 4.05Å; Y251-I295 HydrophobicContact CE1-CG2 4.13Å; K287-I295 WeakPolarHBondContact CA-O 3.32Å; K288-I295 HydrophobicContact CB-CD1 4.12Å; K288-I295 HydrophobicContact CB-CG1 3.74Å; K288-I295 PolarHBondContact N-O 3.49Å; K288-I295 PolarHBondContact O-N 3.12Å; P290-I295 HydrophobicContact CG-CD1 3.86Å; P290-I295 HydrophobicContact CG-CG1 4.21Å; L293-I295 HydrophobicContact CD2-CG2 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.18Å; L293-I295 PolarHBondContact O-N 3.4Å; I295-V297 HydrophobicContact CD1-CG2 4.16Å; I295-V297 HydrophobicContact CG1-CG2 4.3Å |
| 296 | C | 93.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.3 | 173.6 | -63.8 | 0 | 0 | 0 | 0 | 108.4 | S256 L257 C259 V285 V286 | S256-C296 CarbonylContact C-O 3.6Å; S256-C296 VanDerWaalsContact CA-O 3.3Å; S256-C296 WeakPolarHBondContact CA-O 3.15Å; L257-C296 HydrophobicContact CB-CB 4.15Å; L257-C296 PolarHBondContact N-O 2.83Å; C259-C296 WeakPolarHBondContact CA-SG 3.38Å; C259-C296 HydrophobicContact CB-CB 4.12Å; C259-C296 WeakPolarHBondContact CB-SG 3.47Å; C259-C296 WeakPolarHBondContact SG-CB 3.4Å; C259-C296 PolarHBondContact SG-N 2.66Å; C259-C296 CovalentContact SG-SG 2.04Å; C259-C296 PolarHBondContact SG-SG 3.01Å; V285-C296 HydrophobicContact CG1-CB 3.83Å; V286-C296 CarbonylContact O-C 3.52Å; V286-C296 WeakPolarHBondContact O-CA 3.4Å |
| 297 | V | 93.5 | Very high | 87.9 | Confident | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.6 | -171.3 | -173.7 | 0 | 0 | 0 | 0 | 109 | R254 K255 V286 I295 | R254-V297 HydrophobicContact CB-CG1 4.04Å; K255-V297 WeakPolarHBondContact O-CA 3.2Å; K255-V297 WeakPolarHBondContact O-CG1 3.45Å; V286-V297 HydrophobicContact CB-CB 4.4Å; V286-V297 PolarHBondContact N-O 3.37Å; V286-V297 PolarHBondContact O-N 3.25Å; I295-V297 HydrophobicContact CD1-CG2 4.16Å; I295-V297 HydrophobicContact CG1-CG2 4.3Å |
| 298 | S | 95.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | trans | -57.1 | 140.8 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | N243 K255 F300 | N243-S298 WeakPolarHBondContact OD1-CB 3.15Å; N243-S298 PolarHBondContact OD1-OG 3.16Å; K255-S298 PolarHBondContact O-N 2.67Å; S298-F300 PolarHBondContact O-N 2.95Å; S298-F300 PolarHBondContact OG-N 2.97Å | ||
| 299 | P | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -73.6 | -8.1 | 171.6 | 32.2 | -36.7 | 0 | 0 | 0 | 113.1 | L231 I232 I268 Y284 V316 | L231-P299 WeakPolarHBondContact CB-O 3.37Å; I232-P299 PolarHBondContact N-O 3.48Å; I268-P299 HydrophobicContact CD1-CG 4.4Å; Y284-P299 HydrophobicContact CD2-CG 3.57Å; Y284-P299 HydrophobicContact CE2-CG 4.46Å; Y284-P299 HydrophobicContact CG-CG 4.03Å; Y284-P299 WeakPolarHBondContact O-CB 3.47Å; P299-V316 HydrophobicContact CB-CB 4.46Å; P299-V316 HydrophobicContact CB-CG1 3.88Å; P299-V316 HydrophobicContact CB-CG2 3.96Å |
| 300 | F | 96.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.8 | -172 | -65.6 | -82.1 | 0 | 0 | 0 | 112.2 | I212 I232 V239 I242 N243 L246 I268 S298 W311 | I212-F300 HydrophobicContact CD1-CE2 3.76Å; I212-F300 HydrophobicContact CD1-CZ 3.71Å; I232-F300 HydrophobicContact CB-CD1 3.83Å; I232-F300 HydrophobicContact CB-CE1 3.94Å; I232-F300 HydrophobicContact CD1-CE1 3.95Å; I232-F300 HydrophobicContact CD1-CZ 4.08Å; I232-F300 HydrophobicContact CG2-CD1 3.63Å; I232-F300 HydrophobicContact CG2-CE1 3.53Å; I232-F300 WeakPolarHBondContact O-CA 2.99Å; V239-F300 HydrophobicContact CG1-CB 4.01Å; I242-F300 HydrophobicContact CB-CD2 4.48Å; I242-F300 HydrophobicContact CD1-CD1 3.81Å; I242-F300 HydrophobicContact CD1-CE1 3.77Å; I242-F300 HydrophobicContact CD1-CG 4.2Å; I242-F300 HydrophobicContact CD1-CZ 4.14Å; I242-F300 HydrophobicContact CG2-CB 4.39Å; I242-F300 HydrophobicContact CG2-CD1 4.45Å; I242-F300 HydrophobicContact CG2-CD2 3.32Å; I242-F300 HydrophobicContact CG2-CE2 3.54Å; I242-F300 HydrophobicContact CG2-CG 3.82Å; I242-F300 HydrophobicContact CG2-CZ 4.19Å; N243-F300 PolarHBondContact ND2-O 2.98Å; L246-F300 HydrophobicContact CD1-CD2 4.17Å; L246-F300 HydrophobicContact CD1-CE2 4.47Å; I268-F300 HydrophobicContact CD1-CE2 3.51Å; I268-F300 HydrophobicContact CD1-CZ 3.51Å; I268-F300 HydrophobicContact CG1-CE2 4.09Å; I268-F300 HydrophobicContact CG1-CZ 4.02Å; I268-F300 HydrophobicContact CG2-CZ 4.24Å; S298-F300 PolarHBondContact O-N 2.95Å; S298-F300 PolarHBondContact OG-N 2.97Å; F300-W311 HydrophobicContact CD1-CZ3 4.04Å; F300-W311 HydrophobicContact CE1-CZ3 4.11Å |
| 301 | E | 94.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.5 | 177 | -166.2 | 165.7 | 147.6 | 0 | 0 | 110.3 | L231 I232 L233 G234 R254 H303 | L231-E301 HydrophobicContact CD1-CB 4.17Å; L231-E301 VanDerWaalsContact CD1-OE2 3.3Å; L231-E301 WeakPolarHBondContact CD1-OE2 3.08Å; I232-E301 PolarHBondContact O-N 3.2Å; I232-E301 VanDerWaalsContact O-N 3.12Å; L233-E301 WeakPolarHBondContact CA-O 3.15Å; L233-E301 HydrophobicContact CD2-CB 3.75Å; G234-E301 PolarHBondContact N-O 2.94Å; R254-E301 IonicContact CZ-OE2 2.66Å; R254-E301 IonicContact NH1-OE2 2.68Å; R254-E301 PolarHBondContact NH1-OE2 2.95Å; E301-H303 PolarHBondContact O-N 2.94Å |
| 302 | P | 94.8 | Very high | 92.2 | Very high | 61 Ų | 61 | 56 Ų | 56 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.9 | 179.8 | 30.2 | -33.9 | 0 | 0 | 0 | 109.2 | P236 V239 | P236-P302 HydrophobicContact CB-CB 4.12Å; P236-P302 HydrophobicContact CG-CB 4.32Å; V239-P302 HydrophobicContact CB-CB 4.25Å; V239-P302 HydrophobicContact CG1-CB 4.19Å; V239-P302 HydrophobicContact CG1-CG 4.48Å |
| 303 | H | 93.6 | Very high | 93.3 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | trans | -108.3 | 111.9 | 168.6 | -177 | 27.9 | 0 | 0 | 0 | 109.3 | L233 G234 E301 S305 L306 | L233-H303 HydrophobicContact CB-CB 4.11Å; L233-H303 HydrophobicContact CD1-CB 4.48Å; G234-H303 PolarHBondContact O-N 3.21Å; E301-H303 PolarHBondContact O-N 2.94Å; H303-S305 PolarHBondContact O-N 3.21Å; H303-S305 VanDerWaalsContact O-N 3.11Å; H303-L306 HydrophobicContact CB-CD1 3.77Å; H303-L306 HydrophobicContact CB-CG 3.79Å; H303-L306 VanDerWaalsContact CD2-CG 3.49Å; H303-L306 WeakPolarHBondContact CD2-CG 3.12Å; H303-L306 PolarHBondContact O-N 2.59Å; H303-L306 VanDerWaalsContact O-N 3.14Å | ||
| 304 | P | 89.3 | Confident | 94 | Very high | 109 Ų | 109 | 41.8 Ų | 41.8 | 71% | 0.708 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.8 | -169.6 | -27.9 | 35.2 | 0 | 0 | 0 | 115.2 | ||
| 305 | S | 89.1 | Confident | 94.4 | Very high | 102 Ų | 102 | 36.2 Ų | 36.2 | 71% | 0.713 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.9 | -175.7 | -53.2 | 0 | 0 | 0 | 0 | 113.8 | H303 | H303-S305 PolarHBondContact O-N 3.21Å; H303-S305 VanDerWaalsContact O-N 3.11Å |
| 306 | L | 92.5 | Very high | 94.7 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | trans | -80.2 | 131.7 | -178 | -66.8 | -174.3 | 0 | 0 | 0 | 112.3 | L233 H303 Y310 I312 | L233-L306 HydrophobicContact CB-CD1 4.32Å; H303-L306 HydrophobicContact CB-CD1 3.77Å; H303-L306 HydrophobicContact CB-CG 3.79Å; H303-L306 VanDerWaalsContact CD2-CG 3.49Å; H303-L306 WeakPolarHBondContact CD2-CG 3.12Å; H303-L306 PolarHBondContact O-N 2.59Å; H303-L306 VanDerWaalsContact O-N 3.14Å; L306-Y310 HydrophobicContact CD2-CD1 3.66Å; L306-Y310 HydrophobicContact CD2-CE1 4.21Å; L306-Y310 HydrophobicContact CD2-CG 4.46Å; L306-I312 HydrophobicContact CD1-CD1 4.26Å; L306-I312 HydrophobicContact CD1-CG1 4.23Å; L306-I312 HydrophobicContact CD2-CD1 4.27Å | ||
| 307 | S | 93.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 34.9 Ų | 34.9 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | trans | -63.6 | 154.6 | 170 | 76 | 0 | 0 | 0 | 0 | 111.5 | P235 N309 Y310 | P235-S307 WeakPolarHBondContact CG-O 3.31Å; S307-N309 PolarHBondContact O-N 3.25Å; S307-Y310 PolarHBondContact O-N 3.37Å; S307-Y310 WeakPolarHBondContact OG-CB 3.41Å | ||
| 308 | P | 93.3 | Very high | 95 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19.3 | -176.9 | -28.5 | 36.1 | 0 | 0 | 0 | 116.5 | P235 Q238 | P235-P308 WeakPolarHBondContact CG-O 3.45Å; Q238-P308 PolarHBondContact NE2-O 3.14Å; Q238-P308 VanDerWaalsContact NE2-O 3.16Å |
| 309 | N | 95.6 | Very high | 95 | Very high | 89 Ų | 89 | 34.8 Ų | 34.8 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 28.7 | -178.5 | -66.4 | -27.4 | 0 | 0 | 0 | 112.3 | C221 S222 S307 | C221-N309 WeakPolarHBondContact CA-O 3.22Å; C221-N309 HydrophobicContact CB-CB 4.1Å; C221-N309 WeakPolarHBondContact CB-O 3.3Å; S222-N309 PolarHBondContact N-O 3.12Å; S307-N309 PolarHBondContact O-N 3.25Å |
| 310 | Y | 97.4 | Very high | 95 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.7 | 178.6 | -158.7 | -81.8 | 0 | 0 | 0 | 111.5 | V204 S222 L224 P235 L306 S307 I312 | V204-Y310 HydrophobicContact CG1-CE2 4.14Å; V204-Y310 HydrophobicContact CG2-CE2 4.15Å; V204-Y310 WeakPolarHBondContact CG2-OH 3.33Å; S222-Y310 WeakPolarHBondContact O-CA 3.38Å; L224-Y310 HydrophobicContact CB-CE1 4.02Å; P235-Y310 WeakPolarHBondContact CD-O 3.3Å; L306-Y310 HydrophobicContact CD2-CD1 3.66Å; L306-Y310 HydrophobicContact CD2-CE1 4.21Å; L306-Y310 HydrophobicContact CD2-CG 4.46Å; S307-Y310 PolarHBondContact O-N 3.37Å; S307-Y310 WeakPolarHBondContact OG-CB 3.41Å; Y310-I312 HydrophobicContact CD1-CG1 4.5Å; Y310-I312 HydrophobicContact CE1-CG1 4.14Å |
| 311 | W | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.4 | -179.9 | -68.1 | 80.4 | 0 | 0 | 0 | 110 | M207 L210 S222 A223 L224 I232 L233 Q238 V239 I242 F300 | M207-W311 HydrophobicContact CE-CB 4.22Å; M207-W311 HydrophobicContact CE-CG 3.97Å; L210-W311 HydrophobicContact CD2-CD2 3.9Å; L210-W311 HydrophobicContact CD2-CE3 3.92Å; L210-W311 HydrophobicContact CD2-CH2 3.6Å; L210-W311 HydrophobicContact CD2-CZ2 3.55Å; L210-W311 HydrophobicContact CD2-CZ3 3.77Å; S222-W311 PolarHBondContact O-N 3.14Å; A223-W311 CarbonylContact C-O 3.5Å; A223-W311 WeakPolarHBondContact CA-O 3.41Å; L224-W311 PolarHBondContact N-O 2.77Å; I232-W311 HydrophobicContact CG2-CE3 3.89Å; I232-W311 HydrophobicContact CG2-CZ3 4.21Å; L233-W311 WeakPolarHBondContact O-CA 3.4Å; Q238-W311 HydrophobicContact CB-CH2 3.95Å; Q238-W311 HydrophobicContact CB-CZ2 3.78Å; Q238-W311 HydrophobicContact CG-CZ2 4.27Å; V239-W311 HydrophobicContact CG2-CH2 4.24Å; V239-W311 HydrophobicContact CG2-CZ3 4.15Å; I242-W311 HydrophobicContact CD1-CH2 3.63Å; I242-W311 HydrophobicContact CD1-CZ3 4.11Å; F300-W311 HydrophobicContact CD1-CZ3 4.04Å; F300-W311 HydrophobicContact CE1-CZ3 4.11Å |
| 312 | I | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.4 | 170.2 | -55.5 | 172.4 | 0 | 0 | 0 | 107.1 | L224 D226 T229 I232 L233 L306 Y310 | L224-I312 HydrophobicContact CB-CG1 4.28Å; L224-I312 HydrophobicContact CD2-CD1 4.48Å; L224-I312 HydrophobicContact CD2-CG1 4.17Å; L224-I312 HydrophobicContact CD2-CG2 4.21Å; D226-I312 HydrophobicContact CB-CG2 3.62Å; T229-I312 HydrophobicContact CG2-CG2 4.14Å; I232-I312 WeakPolarHBondContact CA-O 3.34Å; L233-I312 HydrophobicContact CB-CB 4.03Å; L233-I312 HydrophobicContact CB-CD1 4.36Å; L233-I312 HydrophobicContact CB-CG1 4.49Å; L233-I312 HydrophobicContact CD1-CD1 4.08Å; L233-I312 HydrophobicContact CG-CB 4.43Å; L233-I312 PolarHBondContact N-O 2.91Å; L233-I312 PolarHBondContact O-N 2.59Å; L306-I312 HydrophobicContact CD1-CD1 4.26Å; L306-I312 HydrophobicContact CD1-CG1 4.23Å; L306-I312 HydrophobicContact CD2-CD1 4.27Å; Y310-I312 HydrophobicContact CD1-CG1 4.5Å; Y310-I312 HydrophobicContact CE1-CG1 4.14Å |
| 313 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 98.5 | -178.9 | -59.1 | -172.8 | 0 | 0 | 0 | 109 | M207 A223 L224 I225 D226 I232 L270 F272 F317 | M207-L313 HydrophobicContact SD-CD1 4.49Å; A223-L313 HydrophobicContact CB-CD1 3.86Å; A223-L313 HydrophobicContact CB-CG 4.13Å; L224-L313 PolarHBondContact O-N 3.4Å; I225-L313 HydrophobicContact CD1-CB 3.98Å; I225-L313 HydrophobicContact CD1-CD1 3.94Å; I225-L313 HydrophobicContact CD1-CG 4.39Å; D226-L313 PolarHBondContact N-O 3.23Å; D226-L313 VanDerWaalsContact N-O 3.1Å; I232-L313 HydrophobicContact CG1-CD2 4.43Å; I232-L313 HydrophobicContact CG2-CD2 3.88Å; L270-L313 HydrophobicContact CD2-CD1 3.83Å; L270-L313 HydrophobicContact CD2-CD2 4Å; F272-L313 HydrophobicContact CE2-CD1 4.27Å; F272-L313 HydrophobicContact CZ-CD1 3.63Å; L313-F317 HydrophobicContact CB-CB 3.94Å; L313-F317 HydrophobicContact CB-CD1 4.02Å; L313-F317 HydrophobicContact CB-CG 3.99Å; L313-F317 HydrophobicContact CD1-CD1 4.26Å; L313-F317 HydrophobicContact CD1-CD2 4.1Å; L313-F317 HydrophobicContact CD1-CE1 4.36Å; L313-F317 HydrophobicContact CD1-CE2 4.19Å; L313-F317 HydrophobicContact CD1-CG 4.12Å; L313-F317 HydrophobicContact CD1-CZ 4.32Å |
| 314 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -86.3 | -156 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D226 T229 L231 V316 F317 M318 | D226-G314 VanDerWaalsContact O-CA 3.25Å; D226-G314 WeakPolarHBondContact O-CA 3.17Å; T229-G314 CarbonylContact O-C 3.6Å; T229-G314 WeakPolarHBondContact O-CA 3.29Å; L231-G314 WeakPolarHBondContact O-CA 3.14Å; L231-G314 PolarHBondContact O-N 3.15Å; G314-V316 PolarHBondContact O-N 3.13Å; G314-V316 VanDerWaalsContact O-N 3.1Å; G314-F317 WeakPolarHBondContact O-CB 3.4Å; G314-F317 PolarHBondContact O-N 2.82Å; G314-M318 PolarHBondContact O-N 2.98Å | ||
| 315 | D | 95 | Very high | 96.1 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.1 | -37.2 | 178.7 | -67.7 | -23.5 | 0 | 0 | 0 | 113.3 | Y23 L166 T229 F317 M318 R319 | Y23-D315 HydrophobicContact CD2-CB 4.41Å; Y23-D315 VanDerWaalsContact CD2-OD2 3.25Å; Y23-D315 WeakPolarHBondContact CD2-OD2 3.39Å; Y23-D315 HydrophobicContact CE2-CB 3.97Å; Y23-D315 WeakPolarHBondContact CE2-OD2 3.41Å; L166-D315 HydrophobicContact CD1-CB 4.18Å; L166-D315 VanDerWaalsContact CD1-OD1 3.25Å; L166-D315 WeakPolarHBondContact CD1-OD1 3.28Å; T229-D315 PolarHBondContact O-N 3.19Å; D315-F317 PolarHBondContact O-N 3.01Å; D315-M318 PolarHBondContact O-N 3.47Å; D315-R319 WeakPolarHBondContact O-CB 3.42Å; D315-R319 WeakPolarHBondContact O-CG 3.16Å; D315-R319 PolarHBondContact O-N 3Å; D315-R319 PolarHBondContact O-NE 3.38Å |
| 316 | V | 95.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -52.3 | -43.3 | 176 | 165.4 | 0 | 0 | 0 | 0 | 111.4 | S230 L231 I232 L279 V286 P299 G314 | S230-V316 WeakPolarHBondContact O-CG2 3.28Å; S230-V316 PolarHBondContact O-N 3.08Å; L231-V316 HydrophobicContact CD2-CG2 4.29Å; I232-V316 HydrophobicContact CD1-CG1 3.85Å; I232-V316 HydrophobicContact CG1-CB 4.21Å; I232-V316 HydrophobicContact CG1-CG1 4.09Å; L279-V316 HydrophobicContact CD1-CG1 4.29Å; V286-V316 HydrophobicContact CG2-CG2 4.27Å; P299-V316 HydrophobicContact CB-CB 4.46Å; P299-V316 HydrophobicContact CB-CG1 3.88Å; P299-V316 HydrophobicContact CB-CG2 3.96Å; G314-V316 PolarHBondContact O-N 3.13Å; G314-V316 VanDerWaalsContact O-N 3.1Å |
| 317 | F | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75.9 | -50.8 | 176.8 | 175.2 | -99.9 | 0 | 0 | 0 | 111 | I225 L270 F272 L313 G314 D315 R319 R320 I321 L334 | I225-F317 HydrophobicContact CD1-CD1 4.34Å; I225-F317 HydrophobicContact CD1-CE1 3.99Å; L270-F317 HydrophobicContact CD1-CD2 4.33Å; L270-F317 HydrophobicContact CD1-CE2 4.42Å; L270-F317 HydrophobicContact CD2-CD2 4.09Å; L270-F317 HydrophobicContact CD2-CE2 4.17Å; F272-F317 AromaticContact CE2-CE2 3.99Å; F272-F317 HydrophobicContact CE2-CE2 3.99Å; F272-F317 AromaticContact CE2-CZ 3.88Å; F272-F317 HydrophobicContact CE2-CZ 3.88Å; F272-F317 HydrophobicContact CZ-CZ 4.43Å; L313-F317 HydrophobicContact CB-CB 3.94Å; L313-F317 HydrophobicContact CB-CD1 4.02Å; L313-F317 HydrophobicContact CB-CG 3.99Å; L313-F317 HydrophobicContact CD1-CD1 4.26Å; L313-F317 HydrophobicContact CD1-CD2 4.1Å; L313-F317 HydrophobicContact CD1-CE1 4.36Å; L313-F317 HydrophobicContact CD1-CE2 4.19Å; L313-F317 HydrophobicContact CD1-CG 4.12Å; L313-F317 HydrophobicContact CD1-CZ 4.32Å; G314-F317 WeakPolarHBondContact O-CB 3.4Å; G314-F317 PolarHBondContact O-N 2.82Å; D315-F317 PolarHBondContact O-N 3.01Å; F317-R319 VanDerWaalsContact C-N 3.26Å; F317-R319 PolarHBondContact O-N 3.33Å; F317-R320 PolarHBondContact O-N 2.95Å; F317-I321 HydrophobicContact CD1-CB 4.48Å; F317-I321 HydrophobicContact CD1-CG1 4.5Å; F317-I321 HydrophobicContact CD2-CG1 4.16Å; F317-I321 HydrophobicContact CE1-CB 4.06Å; F317-I321 HydrophobicContact CE1-CG1 4.14Å; F317-I321 HydrophobicContact CE1-CG2 4.16Å; F317-I321 HydrophobicContact CE2-CG1 3.77Å; F317-I321 HydrophobicContact CZ-CB 4.13Å; F317-I321 HydrophobicContact CZ-CG1 3.77Å; F317-I321 HydrophobicContact CZ-CG2 4.12Å; F317-I321 PolarHBondContact O-N 2.96Å; F317-I321 VanDerWaalsContact O-N 3.14Å; F317-L334 HydrophobicContact CE1-CD2 4.28Å; F317-L334 HydrophobicContact CZ-CD1 4.23Å |
| 318 | M | 96.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.9 | -22.4 | -173.7 | -63.6 | -174.2 | 72.6 | 0 | 0 | 114.1 | F164 L166 I225 T227 G314 D315 R320 I321 T323 F325 | F164-M318 HydrophobicContact CB-CE 3.92Å; F164-M318 HydrophobicContact CG-CE 4.39Å; L166-M318 HydrophobicContact CD1-CB 3.68Å; L166-M318 HydrophobicContact CG-CB 4.36Å; I225-M318 HydrophobicContact CG2-CE 4.09Å; I225-M318 HydrophobicContact CG2-CG 3.98Å; I225-M318 HydrophobicContact CG2-SD 3.72Å; T227-M318 HydrophobicContact CG2-CE 3.43Å; T227-M318 VanDerWaalsContact CG2-CE 3.43Å; T227-M318 HydrophobicContact CG2-SD 3.6Å; G314-M318 PolarHBondContact O-N 2.98Å; D315-M318 PolarHBondContact O-N 3.47Å; M318-R320 VanDerWaalsContact C-N 3.25Å; M318-R320 PolarHBondContact O-N 3.02Å; M318-I321 CarbonylContact C-O 3.43Å; M318-I321 CarbonylContact O-C 3.23Å; M318-I321 PolarHBondContact O-N 3.37Å; M318-T323 HydrophobicContact CE-CG2 4.15Å; M318-F325 HydrophobicContact CE-CE2 3.89Å; M318-F325 HydrophobicContact CE-CZ 3.89Å |
| 319 | R | 94.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.4 | 170.7 | -79.1 | 179.7 | -35.5 | -157.6 | -3.2 | 114.3 | N20 Y23 L166 R168 D315 F317 | N20-R319 PolarHBondContact O-NH1 2.68Å; Y23-R319 WeakPolarHBondContact OH-CD 3.44Å; Y23-R319 WeakPolarHBondContact OH-CG 3.43Å; L166-R319 HydrophobicContact CB-CB 4.49Å; L166-R319 HydrophobicContact CB-CG 3.65Å; L166-R319 HydrophobicContact CD1-CG 4.39Å; R168-R319 HydrophobicContact CG-CB 3.61Å; R168-R319 HydrophobicContact CG-CG 3.97Å; D315-R319 WeakPolarHBondContact O-CB 3.42Å; D315-R319 WeakPolarHBondContact O-CG 3.16Å; D315-R319 PolarHBondContact O-N 3Å; D315-R319 PolarHBondContact O-NE 3.38Å; F317-R319 VanDerWaalsContact C-N 3.26Å; F317-R319 PolarHBondContact O-N 3.33Å |
| 320 | R | 95.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 18.6 Ų | 18.6 | 17% | 0.166 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -25.9 | 174.6 | -178.4 | 52.3 | -172 | 77.3 | 4.7 | 111.3 | L279 F317 M318 D336 A337 A340 | L279-R320 HydrophobicContact CD2-CB 3.58Å; L279-R320 HydrophobicContact CD2-CG 3.59Å; F317-R320 PolarHBondContact O-N 2.95Å; M318-R320 VanDerWaalsContact C-N 3.25Å; M318-R320 PolarHBondContact O-N 3.02Å; R320-D336 IonicContact CZ-OD1 3.36Å; R320-D336 IonicContact NH1-OD1 2.6Å; R320-D336 PolarHBondContact NH1-OD1 3.06Å; R320-D336 IonicContact NH2-OD1 2.65Å; R320-D336 PolarHBondContact NH2-OD1 3.19Å; R320-A337 WeakPolarHBondContact O-CB 3.29Å; R320-A337 PolarHBondContact O-N 3.18Å; R320-A337 VanDerWaalsContact O-N 3.08Å; R320-A340 HydrophobicContact CB-CB 4.5Å; R320-A340 HydrophobicContact CG-CB 4.45Å |
| 321 | I | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.8 | -168.2 | -52.3 | -55.1 | 0 | 0 | 0 | 110.1 | Y277 F317 M318 T323 L334 A335 | Y277-I321 HydrophobicContact CD1-CD1 3.23Å; Y277-I321 HydrophobicContact CD1-CG1 4.22Å; Y277-I321 HydrophobicContact CE1-CD1 3.84Å; Y277-I321 HydrophobicContact CE1-CG2 4.34Å; Y277-I321 HydrophobicContact CG-CD1 3.92Å; F317-I321 HydrophobicContact CD1-CB 4.48Å; F317-I321 HydrophobicContact CD1-CG1 4.5Å; F317-I321 HydrophobicContact CD2-CG1 4.16Å; F317-I321 HydrophobicContact CE1-CB 4.06Å; F317-I321 HydrophobicContact CE1-CG1 4.14Å; F317-I321 HydrophobicContact CE1-CG2 4.16Å; F317-I321 HydrophobicContact CE2-CG1 3.77Å; F317-I321 HydrophobicContact CZ-CB 4.13Å; F317-I321 HydrophobicContact CZ-CG1 3.77Å; F317-I321 HydrophobicContact CZ-CG2 4.12Å; F317-I321 PolarHBondContact O-N 2.96Å; F317-I321 VanDerWaalsContact O-N 3.14Å; M318-I321 CarbonylContact C-O 3.43Å; M318-I321 CarbonylContact O-C 3.23Å; M318-I321 PolarHBondContact O-N 3.37Å; I321-T323 PolarHBondContact O-N 3.05Å; I321-T323 PolarHBondContact O-OG1 2.83Å; I321-T323 VanDerWaalsContact O-OG1 3.06Å; I321-L334 HydrophobicContact CG2-CB 3.92Å; I321-L334 HydrophobicContact CG2-CD2 3.84Å; I321-L334 HydrophobicContact CG2-CG 4.37Å; I321-A335 CarbonylContact C-O 3.36Å; I321-A335 WeakPolarHBondContact CA-O 3.37Å; I321-A335 WeakPolarHBondContact CG2-O 3.39Å |
| 322 | Y | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.9 | 170.2 | -169.4 | -76.4 | 0 | 0 | 0 | 108.5 | S163 Y165 F183 N184 F188 F192 V324 A335 | S163-Y322 WeakPolarHBondContact CB-OH 3.18Å; S163-Y322 PolarHBondContact OG-OH 3.27Å; Y165-Y322 HydrophobicContact CD2-CD2 4.39Å; F183-Y322 VanDerWaalsContact CA-OH 3.32Å; F183-Y322 WeakPolarHBondContact CA-OH 3.37Å; F183-Y322 HydrophobicContact CB-CE1 3.84Å; F183-Y322 WeakPolarHBondContact CB-OH 3.4Å; N184-Y322 PolarHBondContact N-OH 2.9Å; F188-Y322 HydrophobicContact CB-CD1 4.36Å; F188-Y322 HydrophobicContact CB-CD2 4.11Å; F188-Y322 HydrophobicContact CB-CG 3.8Å; F188-Y322 HydrophobicContact CD1-CD1 4.11Å; F188-Y322 HydrophobicContact CD1-CD2 4.28Å; F188-Y322 HydrophobicContact CD1-CE1 4.12Å; F188-Y322 HydrophobicContact CD1-CE2 4.33Å; F188-Y322 HydrophobicContact CD1-CG 4.18Å; F188-Y322 HydrophobicContact CG-CG 4.38Å; F192-Y322 AromaticContact CE1-CD1 3.73Å; F192-Y322 HydrophobicContact CE1-CD1 3.73Å; F192-Y322 HydrophobicContact CE1-CE1 4.24Å; F192-Y322 AromaticContact CZ-CD1 3.9Å; F192-Y322 HydrophobicContact CZ-CD1 3.9Å; F192-Y322 HydrophobicContact CZ-CE1 4.02Å; Y322-V324 HydrophobicContact CD1-CG2 4.25Å; Y322-V324 HydrophobicContact CE1-CG2 3.88Å; Y322-A335 PolarHBondContact N-O 3.09Å; Y322-A335 PolarHBondContact O-N 3.28Å |
| 323 | T | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.7 | -168.9 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | S163 F164 I225 M318 I321 F325 I332 G333 L334 | S163-T323 CarbonylContact C-O 3.52Å; S163-T323 WeakPolarHBondContact CA-O 3.35Å; S163-T323 WeakPolarHBondContact CB-O 3.46Å; F164-T323 PolarHBondContact N-O 3.34Å; F164-T323 PolarHBondContact O-N 2.84Å; I225-T323 HydrophobicContact CG2-CG2 3.99Å; M318-T323 HydrophobicContact CE-CG2 4.15Å; I321-T323 PolarHBondContact O-N 3.05Å; I321-T323 PolarHBondContact O-OG1 2.83Å; I321-T323 VanDerWaalsContact O-OG1 3.06Å; T323-F325 HydrophobicContact CG2-CD2 4.06Å; T323-F325 HydrophobicContact CG2-CE1 4.26Å; T323-F325 HydrophobicContact CG2-CE2 3.5Å; T323-F325 HydrophobicContact CG2-CZ 3.65Å; T323-I332 HydrophobicContact CG2-CG2 3.62Å; T323-G333 WeakPolarHBondContact CA-O 3.42Å; T323-L334 HydrophobicContact CG2-CD2 4.04Å |
| 324 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.1 | 172.2 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | I161 F183 F192 Y322 I332 G333 | I161-V324 HydrophobicContact CB-CG1 4.31Å; I161-V324 HydrophobicContact CD1-CG1 4.36Å; F183-V324 HydrophobicContact CB-CG2 4.04Å; F183-V324 HydrophobicContact CD1-CG2 4.36Å; F183-V324 HydrophobicContact CG-CG2 4.48Å; F192-V324 HydrophobicContact CD1-CG2 4.14Å; F192-V324 HydrophobicContact CE1-CB 4.47Å; F192-V324 HydrophobicContact CE1-CG2 3.49Å; F192-V324 VanDerWaalsContact CE1-CG2 3.49Å; F192-V324 HydrophobicContact CE2-CG2 4.29Å; F192-V324 HydrophobicContact CZ-CG2 3.57Å; Y322-V324 HydrophobicContact CD1-CG2 4.25Å; Y322-V324 HydrophobicContact CE1-CG2 3.88Å; V324-I332 CarbonylContact O-C 3.45Å; V324-I332 VanDerWaalsContact O-CA 3.25Å; V324-I332 WeakPolarHBondContact O-CA 3.39Å; V324-I332 WeakPolarHBondContact O-CG2 3.46Å; V324-G333 PolarHBondContact N-O 2.04Å; V324-G333 PolarHBondContact O-N 2.82Å |
| 325 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.8 | 173.7 | -62.3 | -91.7 | 0 | 0 | 0 | 108.3 | T42 I161 F162 F164 W203 I225 M318 T323 F327 I332 | T42-F325 HydrophobicContact CG2-CE1 4.02Å; T42-F325 HydrophobicContact CG2-CE2 4.14Å; T42-F325 HydrophobicContact CG2-CZ 3.79Å; I161-F325 VanDerWaalsContact CA-O 3.25Å; I161-F325 WeakPolarHBondContact CA-O 3.46Å; F162-F325 HydrophobicContact CD1-CB 4.18Å; F162-F325 HydrophobicContact CD2-CB 3.85Å; F162-F325 AromaticContact CD2-CD2 3.71Å; F162-F325 HydrophobicContact CD2-CD2 3.71Å; F162-F325 HydrophobicContact CD2-CG 4.06Å; F162-F325 HydrophobicContact CE1-CB 3.78Å; F162-F325 HydrophobicContact CE2-CB 3.4Å; F162-F325 HydrophobicContact CE2-CD1 4.23Å; F162-F325 AromaticContact CE2-CD2 3.3Å; F162-F325 HydrophobicContact CE2-CD2 3.3Å; F162-F325 HydrophobicContact CE2-CE2 4.08Å; F162-F325 AromaticContact CE2-CG 3.38Å; F162-F325 HydrophobicContact CE2-CG 3.38Å; F162-F325 HydrophobicContact CG-CB 4.22Å; F162-F325 HydrophobicContact CZ-CB 3.36Å; F162-F325 HydrophobicContact CZ-CD1 4.31Å; F162-F325 HydrophobicContact CZ-CD2 4.1Å; F162-F325 AromaticContact CZ-CG 3.69Å; F162-F325 HydrophobicContact CZ-CG 3.69Å; F162-F325 PolarHBondContact N-O 2.9Å; F162-F325 PolarHBondContact O-N 3.06Å; F164-F325 HydrophobicContact CD2-CD2 4.05Å; F164-F325 AromaticContact CD2-CE2 3.67Å; F164-F325 HydrophobicContact CD2-CE2 3.67Å; F164-F325 HydrophobicContact CE2-CD2 4.5Å; F164-F325 HydrophobicContact CE2-CE2 4.25Å; W203-F325 HydrophobicContact CB-CD1 4Å; W203-F325 HydrophobicContact CB-CE1 3.81Å; W203-F325 AromaticContact CD1-CD1 3.86Å; W203-F325 HydrophobicContact CD2-CB 4.37Å; W203-F325 AromaticContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CD1 3.44Å; W203-F325 VanDerWaalsContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CE1 4.17Å; W203-F325 HydrophobicContact CD2-CG 4.35Å; W203-F325 AromaticContact CE2-CD1 3.76Å; W203-F325 HydrophobicContact CE3-CB 4.38Å; W203-F325 AromaticContact CE3-CD1 3.83Å; W203-F325 HydrophobicContact CE3-CD1 3.83Å; W203-F325 AromaticContact CG-CD1 3.5Å; W203-F325 HydrophobicContact CG-CD1 3.5Å; W203-F325 AromaticContact CG-CE1 3.73Å; W203-F325 HydrophobicContact CG-CE1 3.73Å; W203-F325 HydrophobicContact CH2-CB 3.91Å; W203-F325 HydrophobicContact CZ2-CB 3.88Å; W203-F325 HydrophobicContact CZ2-CD1 4.4Å; W203-F325 HydrophobicContact CZ3-CB 4.17Å; W203-F325 HydrophobicContact CZ3-CD1 4.45Å; W203-F325 AromaticContact NE1-CD1 3.98Å; I225-F325 HydrophobicContact CB-CE1 4.17Å; I225-F325 HydrophobicContact CB-CZ 4.32Å; I225-F325 HydrophobicContact CG2-CE1 4.22Å; I225-F325 HydrophobicContact CG2-CZ 3.88Å; M318-F325 HydrophobicContact CE-CE2 3.89Å; M318-F325 HydrophobicContact CE-CZ 3.89Å; T323-F325 HydrophobicContact CG2-CD2 4.06Å; T323-F325 HydrophobicContact CG2-CE1 4.26Å; T323-F325 HydrophobicContact CG2-CE2 3.5Å; T323-F325 HydrophobicContact CG2-CZ 3.65Å; F325-F327 PolarHBondContact O-N 3.15Å; F325-I332 HydrophobicContact CD1-CD1 4.24Å; F325-I332 HydrophobicContact CD1-CG1 4.27Å; F325-I332 HydrophobicContact CE1-CD1 4.16Å |
| 326 | D | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 91.7 | -175.7 | -177 | -7.6 | 0 | 0 | 0 | 109.8 | Y2 I161 G328 Q329 R330 R331 | Y2-D326 WeakPolarHBondContact CE2-OD1 3.4Å; Y2-D326 VanDerWaalsContact CE2-OD2 3.27Å; Y2-D326 WeakPolarHBondContact CE2-OD2 3.49Å; Y2-D326 PolarHBondContact OH-OD1 3.1Å; I161-D326 HydrophobicContact CG2-CB 4.01Å; D326-G328 VanDerWaalsContact C-N 3.3Å; D326-G328 PolarHBondContact O-N 3.24Å; D326-G328 PolarHBondContact OD1-N 3.24Å; D326-Q329 PolarHBondContact OD1-N 2.87Å; D326-Q329 VanDerWaalsContact OD2-CB 3.31Å; D326-Q329 WeakPolarHBondContact OD2-CB 3.45Å; D326-Q329 WeakPolarHBondContact OD2-CG 2.95Å; D326-R330 VanDerWaalsContact O-CA 3.31Å; D326-R330 WeakPolarHBondContact O-CA 3.29Å; D326-R330 PolarHBondContact O-N 3.35Å; D326-R331 WeakPolarHBondContact CA-O 3.34Å; D326-R331 HydrophobicContact CB-CG 3.71Å; D326-R331 WeakPolarHBondContact CB-O 3.05Å; D326-R331 PolarHBondContact N-O 2.97Å; D326-R331 PolarHBondContact O-N 2.76Å; D326-R331 IonicContact OD2-CZ 3.39Å; D326-R331 IonicContact OD2-NE 2.73Å; D326-R331 PolarHBondContact OD2-NE 2.77Å; D326-R331 IonicContact OD2-NH2 3.14Å; D326-R331 PolarHBondContact OD2-NH2 3.33Å; D326-R331 VanDerWaalsContact OD2-NH2 3.14Å |
| 327 | F | 95.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33.4 | -179 | -162.4 | -88.5 | 0 | 0 | 0 | 111.8 | S136 R138 F148 P149 L152 P160 W203 F325 | S136-F327 VanDerWaalsContact O-CE2 3.23Å; S136-F327 WeakPolarHBondContact O-CE2 3.42Å; R138-F327 HydrophobicContact CG-CE1 3.99Å; R138-F327 HydrophobicContact CG-CZ 3.68Å; F148-F327 HydrophobicContact CD1-CB 4.12Å; F148-F327 AromaticContact CD1-CD2 3.95Å; F148-F327 HydrophobicContact CD1-CD2 3.95Å; F148-F327 HydrophobicContact CD1-CG 4.01Å; F148-F327 HydrophobicContact CE1-CB 3.64Å; F148-F327 HydrophobicContact CE1-CD2 4.36Å; F148-F327 HydrophobicContact CE1-CG 4.01Å; P149-F327 HydrophobicContact CG-CE2 4.24Å; P149-F327 HydrophobicContact CG-CZ 3.77Å; L152-F327 HydrophobicContact CD1-CD1 3.99Å; L152-F327 HydrophobicContact CD1-CE1 4.43Å; P160-F327 WeakPolarHBondContact O-CA 2.98Å; P160-F327 WeakPolarHBondContact O-CB 3.38Å; P160-F327 PolarHBondContact O-N 2.85Å; W203-F327 HydrophobicContact CH2-CB 4.15Å; W203-F327 HydrophobicContact CH2-CD2 4.08Å; W203-F327 AromaticContact CZ2-CD2 3.94Å; W203-F327 HydrophobicContact CZ2-CD2 3.94Å; F325-F327 PolarHBondContact O-N 3.15Å |
| 328 | G | 93.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 24 Ų | 24 | 32% | 0.32 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | P160 D326 | P160-G328 PolarHBondContact O-N 2.92Å; P160-G328 VanDerWaalsContact O-N 3.08Å; D326-G328 VanDerWaalsContact C-N 3.3Å; D326-G328 PolarHBondContact O-N 3.24Å; D326-G328 PolarHBondContact OD1-N 3.24Å |
| 329 | Q | 95.4 | Very high | 95.6 | Very high | 119 Ų | 119 | 27.3 Ų | 27.3 | 56% | 0.556 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.6 | -176.4 | -54.7 | -64.5 | -56.7 | 0 | 0 | 114 | D326 R331 | D326-Q329 PolarHBondContact OD1-N 2.87Å; D326-Q329 VanDerWaalsContact OD2-CB 3.31Å; D326-Q329 WeakPolarHBondContact OD2-CB 3.45Å; D326-Q329 WeakPolarHBondContact OD2-CG 2.95Å; Q329-R331 HydrophobicContact CB-CG 3.99Å |
| 330 | R | 96 | Very high | 94.2 | Very high | 136 Ų | 136 | 28.4 Ų | 28.4 | 51% | 0.513 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 59.5 | 179.1 | -59.8 | 179.2 | -73.5 | 172.2 | -3.3 | 112.4 | P196 T197 N200 D326 | P196-R330 WeakPolarHBondContact CA-O 3.14Å; T197-R330 PolarHBondContact N-O 3.48Å; T197-R330 PolarHBondContact OG1-O 2.79Å; N200-R330 WeakPolarHBondContact OD1-CD 3.05Å; N200-R330 PolarHBondContact OD1-NH1 2.92Å; D326-R330 VanDerWaalsContact O-CA 3.31Å; D326-R330 WeakPolarHBondContact O-CA 3.29Å; D326-R330 PolarHBondContact O-N 3.35Å |
| 331 | R | 97.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162.1 | -178.2 | 60.5 | -171 | -173.5 | 167.2 | 0.4 | 111.1 | Y194 I195 D326 Q329 | Y194-R331 HydrophobicContact CD1-CG 3.89Å; I195-R331 CarbonylContact O-C 3.51Å; I195-R331 WeakPolarHBondContact O-CA 3.3Å; I195-R331 WeakPolarHBondContact O-CB 3.27Å; D326-R331 WeakPolarHBondContact CA-O 3.34Å; D326-R331 HydrophobicContact CB-CG 3.71Å; D326-R331 WeakPolarHBondContact CB-O 3.05Å; D326-R331 PolarHBondContact N-O 2.97Å; D326-R331 PolarHBondContact O-N 2.76Å; D326-R331 IonicContact OD2-CZ 3.39Å; D326-R331 IonicContact OD2-NE 2.73Å; D326-R331 PolarHBondContact OD2-NE 2.77Å; D326-R331 IonicContact OD2-NH2 3.14Å; D326-R331 PolarHBondContact OD2-NH2 3.33Å; D326-R331 VanDerWaalsContact OD2-NH2 3.14Å; Q329-R331 HydrophobicContact CB-CG 3.99Å |
| 332 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.4 | 172.2 | -59.6 | -179.4 | 0 | 0 | 0 | 108.4 | Y194 I195 T197 W203 I205 I225 T323 V324 F325 L334 | Y194-I332 CarbonylContact C-O 3.47Å; Y194-I332 WeakPolarHBondContact CA-O 3.03Å; I195-I332 PolarHBondContact N-O 3.18Å; I195-I332 PolarHBondContact O-N 3.43Å; T197-I332 HydrophobicContact CG2-CG1 4.32Å; W203-I332 HydrophobicContact CB-CD1 3.92Å; W203-I332 HydrophobicContact CE3-CD1 4.39Å; W203-I332 HydrophobicContact CE3-CG1 4.05Å; I205-I332 HydrophobicContact CD1-CB 4.47Å; I205-I332 HydrophobicContact CD1-CD1 4.42Å; I205-I332 HydrophobicContact CG1-CD1 4.4Å; I205-I332 HydrophobicContact CG2-CB 4Å; I205-I332 HydrophobicContact CG2-CD1 3.69Å; I205-I332 HydrophobicContact CG2-CG1 3.84Å; I225-I332 HydrophobicContact CB-CD1 4Å; I225-I332 HydrophobicContact CG1-CD1 3.58Å; T323-I332 HydrophobicContact CG2-CG2 3.62Å; V324-I332 CarbonylContact O-C 3.45Å; V324-I332 VanDerWaalsContact O-CA 3.25Å; V324-I332 WeakPolarHBondContact O-CA 3.39Å; V324-I332 WeakPolarHBondContact O-CG2 3.46Å; F325-I332 HydrophobicContact CD1-CD1 4.24Å; F325-I332 HydrophobicContact CD1-CG1 4.27Å; F325-I332 HydrophobicContact CE1-CD1 4.16Å; I332-L334 HydrophobicContact CG2-CD2 3.63Å; I332-L334 HydrophobicContact CG2-CG 4.17Å |
| 333 | G | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E193 T323 V324 | E193-G333 CarbonylContact O-C 3.49Å; E193-G333 WeakPolarHBondContact O-CA 3.32Å; T323-G333 WeakPolarHBondContact CA-O 3.42Å; V324-G333 PolarHBondContact N-O 2.04Å; V324-G333 PolarHBondContact O-N 2.82Å |
| 334 | L | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | -178.8 | -60.6 | -178.7 | 0 | 0 | 0 | 111.3 | E193 I195 I205 F272 Y277 F317 I321 T323 I332 | E193-L334 PolarHBondContact N-O 2.82Å; E193-L334 PolarHBondContact O-N 3.24Å; I195-L334 HydrophobicContact CD1-CD1 3.73Å; I195-L334 HydrophobicContact CD1-CG 4.02Å; I205-L334 HydrophobicContact CD1-CD1 4.06Å; F272-L334 HydrophobicContact CB-CD1 4.37Å; F272-L334 HydrophobicContact CD1-CD1 4.49Å; F272-L334 HydrophobicContact CD2-CD1 4.04Å; F272-L334 HydrophobicContact CE2-CD1 4.46Å; F272-L334 HydrophobicContact CG-CD1 4.05Å; Y277-L334 HydrophobicContact CE1-CB 4.37Å; Y277-L334 HydrophobicContact CE2-CB 4.26Å; Y277-L334 HydrophobicContact CE2-CD1 4.06Å; Y277-L334 WeakPolarHBondContact OH-CB 3.45Å; Y277-L334 PolarHBondContact OH-O 3.25Å; F317-L334 HydrophobicContact CE1-CD2 4.28Å; F317-L334 HydrophobicContact CZ-CD1 4.23Å; I321-L334 HydrophobicContact CG2-CB 3.92Å; I321-L334 HydrophobicContact CG2-CD2 3.84Å; I321-L334 HydrophobicContact CG2-CG 4.37Å; T323-L334 HydrophobicContact CG2-CD2 4.04Å; I332-L334 HydrophobicContact CG2-CD2 3.63Å; I332-L334 HydrophobicContact CG2-CG 4.17Å |
| 335 | A | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 162.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F188 F192 I321 Y322 A337 | F188-A335 HydrophobicContact CB-CB 3.95Å; F188-A335 HydrophobicContact CD2-CB 4.06Å; F188-A335 HydrophobicContact CG-CB 4.24Å; F192-A335 HydrophobicContact CD1-CB 3.58Å; F192-A335 HydrophobicContact CE1-CB 3.56Å; F192-A335 HydrophobicContact CG-CB 4.34Å; F192-A335 HydrophobicContact CZ-CB 4.34Å; I321-A335 CarbonylContact C-O 3.36Å; I321-A335 WeakPolarHBondContact CA-O 3.37Å; I321-A335 WeakPolarHBondContact CG2-O 3.39Å; Y322-A335 PolarHBondContact N-O 3.09Å; Y322-A335 PolarHBondContact O-N 3.28Å; A335-A337 PolarHBondContact O-N 2.98Å |
| 336 | D | 96 | Very high | 92.8 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.8 | 176.9 | -72.2 | -74 | 0 | 0 | 0 | 110 | F188 K189 K275 R320 | F188-D336 CarbonylContact C-O 3.57Å; F188-D336 WeakPolarHBondContact CA-O 3.19Å; K189-D336 PolarHBondContact N-O 3.23Å; K275-D336 IonicContact NZ-OD2 3.17Å; R320-D336 IonicContact CZ-OD1 3.36Å; R320-D336 IonicContact NH1-OD1 2.6Å; R320-D336 PolarHBondContact NH1-OD1 3.06Å; R320-D336 IonicContact NH2-OD1 2.65Å; R320-D336 PolarHBondContact NH2-OD1 3.19Å |
| 337 | A | 95.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 143.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y165 Y187 R320 A335 A340 | Y165-A337 HydrophobicContact CD2-CB 4.27Å; Y165-A337 HydrophobicContact CE2-CB 4.33Å; Y187-A337 CarbonylContact O-C 3.49Å; Y187-A337 WeakPolarHBondContact O-CA 3.38Å; R320-A337 WeakPolarHBondContact O-CB 3.29Å; R320-A337 PolarHBondContact O-N 3.18Å; R320-A337 VanDerWaalsContact O-N 3.08Å; A335-A337 PolarHBondContact O-N 2.98Å; A337-A340 HydrophobicContact CB-CB 4.34Å |
| 338 | V | 91 | Very high | 92.3 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 137.6 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110 | Q186 Y187 K189 A340 | Q186-V338 WeakPolarHBondContact O-CG2 3.45Å; Y187-V338 PolarHBondContact O-N 3.02Å; K189-V338 HydrophobicContact CD-CG2 4.46Å; K189-V338 HydrophobicContact CG-CG2 3.79Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.9Å |
| 339 | G | 79.8 | Confident | 92.2 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 74% | 0.742 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 6.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 340 | A | 63.1 | Low | 91.9 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | trans | -76.4 | 0 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | R168 H283 R320 A337 V338 | R168-A340 PolarHBondContact NH1-OXT 3.08Å; H283-A340 PolarHBondContact CD2-OXT 2.82Å; H283-A340 PolarHBondContact NE2-OXT 3.18Å; R320-A340 HydrophobicContact CB-CB 4.5Å; R320-A340 HydrophobicContact CG-CB 4.45Å; A337-A340 HydrophobicContact CB-CB 4.34Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.9Å |
Retrieved 340 of 340 residues in 433.9 ms
(Link to these results)