| 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 | 89 | Confident | 93.7 | Very high | 83 Ų | 83 | 47 Ų | 47 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | 0 | 142.6 | 0 | -63.3 | 172.5 | -78.4 | 0 | 0 | 110.6 | G172 E181 R229 | M1-G172 CarbonylContact O-C 3.52Å; M1-E181 WeakPolarHBondContact CA-OE1 3.32Å; M1-E181 PolarHBondContact N-OE1 3Å; M1-E181 PolarHBondContact N-OE2 3.31Å; M1-R229 HydrophobicContact CE-CB 4.11Å; M1-R229 HydrophobicContact CE-CG 3.75Å; M1-R229 PolarHBondContact O-NH2 2.77Å; M1-R229 HydrophobicContact SD-CB 3.58Å; M1-R229 VanDerWaalsContact SD-CB 3.58Å; M1-R229 HydrophobicContact SD-CG 3.9Å | |||
| 2 | Q | 95.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | trans | -83 | 156.4 | -172.9 | -66.1 | -66.3 | -60.1 | 0 | 0 | 115 | S173 C179 E181 Q224 R229 | Q2-S173 WeakPolarHBondContact CA-OG 3.39Å; Q2-S173 PolarHBondContact OE1-OG 2.85Å; Q2-C179 PolarHBondContact NE2-O 3.38Å; Q2-C179 VanDerWaalsContact NE2-O 3.13Å; Q2-E181 PolarHBondContact N-OE1 3.25Å; Q2-E181 PolarHBondContact NE2-OE1 3.4Å; Q2-Q224 HydrophobicContact CB-CB 4.03Å; Q2-Q224 HydrophobicContact CB-CG 3.86Å; Q2-R229 PolarHBondContact O-NH1 3.24Å; Q2-R229 PolarHBondContact O-NH2 2.6Å | ||
| 3 | S | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -133.6 | 161.2 | -179.7 | -49.6 | 0 | 0 | 0 | 0 | 110.4 | G172 S173 W185 R221 Q224 | S3-G172 WeakPolarHBondContact OG-CA 3.22Å; S3-S173 WeakPolarHBondContact CB-O 3.4Å; S3-S173 PolarHBondContact N-OG 2.78Å; S3-S173 PolarHBondContact OG-N 2.75Å; S3-W185 PolarHBondContact OG-NE1 3.4Å; S3-R221 WeakPolarHBondContact O-CD 3.45Å; S3-R221 PolarHBondContact O-NE 2.85Å; S3-R221 PolarHBondContact O-NH1 3.15Å; S3-Q224 WeakPolarHBondContact O-CG 3.27Å |
| 4 | P | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | cis | -77 | 173.3 | -0.3 | 34.1 | -38 | 0 | 0 | 0 | 113.1 | D81 R221 Q224 | P4-D81 VanDerWaalsContact CB-C 3.47Å; P4-D81 HydrophobicContact CB-CB 3.78Å; P4-D81 VanDerWaalsContact CB-O 3.26Å; P4-D81 WeakPolarHBondContact CB-O 3.49Å; P4-D81 VanDerWaalsContact CG-C 3.49Å; P4-D81 HydrophobicContact CG-CB 3.68Å; P4-D81 WeakPolarHBondContact CG-O 3.26Å; P4-R221 HydrophobicContact CG-CB 4.47Å; P4-Q224 WeakPolarHBondContact O-CB 3.45Å; P4-Q224 WeakPolarHBondContact O-CG 3.38Å; P4-Q224 PolarHBondContact O-N 3.38Å | ||
| 5 | I | 96.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 158.4 | 174.3 | 58.3 | 169.1 | 0 | 0 | 0 | 110.9 | I7 R83 Y170 L226 R229 V231 | I5-I7 HydrophobicContact CD1-CG1 4.33Å; I5-I7 HydrophobicContact CG1-CG1 4.28Å; I5-R83 PolarHBondContact O-N 2.74Å; I5-Y170 HydrophobicContact CD1-CD1 3.9Å; I5-Y170 HydrophobicContact CD1-CD2 4.33Å; I5-Y170 HydrophobicContact CD1-CE1 3.95Å; I5-Y170 HydrophobicContact CD1-CE2 4.38Å; I5-Y170 HydrophobicContact CD1-CG 4.09Å; I5-Y170 HydrophobicContact CG1-CD1 4.32Å; I5-Y170 HydrophobicContact CG1-CE1 3.84Å; I5-Y170 HydrophobicContact CG1-CE2 4.37Å; I5-L226 HydrophobicContact CD1-CD1 3.75Å; I5-R229 VanDerWaalsContact CG2-NH1 3.27Å; I5-V231 HydrophobicContact CD1-CG2 3.69Å |
| 6 | S | 96.5 | Very high | 94.2 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.3 | 161.2 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | R83 G86 | S6-R83 CarbonylContact C-O 3.46Å; S6-R83 WeakPolarHBondContact CA-O 3.29Å; S6-G86 WeakPolarHBondContact OG-CA 3.31Å; S6-G86 PolarHBondContact OG-N 3.21Å; S6-G86 VanDerWaalsContact OG-N 3.08Å |
| 7 | I | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 127.9 | 177.9 | -66.6 | 164 | 0 | 0 | 0 | 108.6 | I5 L12 R83 I84 D85 I168 L187 | I5-I7 HydrophobicContact CD1-CG1 4.33Å; I5-I7 HydrophobicContact CG1-CG1 4.28Å; I7-L12 HydrophobicContact CG2-CD2 3.84Å; I7-L12 HydrophobicContact CG2-CG 4.44Å; I7-R83 PolarHBondContact N-O 2.94Å; I7-I84 HydrophobicContact CB-CD1 3.97Å; I7-I84 HydrophobicContact CD1-CD1 3.85Å; I7-I84 HydrophobicContact CG1-CD1 4.46Å; I7-I84 HydrophobicContact CG2-CD1 4.42Å; I7-D85 PolarHBondContact O-N 3.01Å; I7-I168 HydrophobicContact CD1-CD1 4.49Å; I7-I168 HydrophobicContact CD1-CG2 4.05Å; I7-I168 HydrophobicContact CG2-CD1 3.97Å; I7-I168 HydrophobicContact CG2-CG2 4.29Å; I7-L187 HydrophobicContact CD1-CD1 4.27Å; I7-L187 HydrophobicContact CD1-CD2 3.28Å; I7-L187 HydrophobicContact CD1-CG 4.2Å |
| 8 | S | 93.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | trans | -99 | 110.6 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | K10 H11 L12 D85 | S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 3.12Å; S8-K10 VanDerWaalsContact OG-CG 3.29Å; S8-K10 WeakPolarHBondContact OG-CG 3.46Å; S8-H11 PolarHBondContact O-N 2.94Å; S8-H11 PolarHBondContact OG-ND1 3.46Å; S8-L12 PolarHBondContact O-N 3.42Å; S8-D85 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 9 | T | 90.7 | Very high | 94.6 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.233 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -61.5 | -37.4 | -174.6 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | H11 L12 I84 D85 | T9-H11 PolarHBondContact O-N 2.93Å; T9-L12 PolarHBondContact O-N 3.38Å; T9-I84 HydrophobicContact CG2-CG2 3.73Å; T9-D85 WeakPolarHBondContact CB-OD2 3.13Å; T9-D85 WeakPolarHBondContact CG2-OD2 3.07Å; T9-D85 PolarHBondContact N-OD1 3.44Å; T9-D85 VanDerWaalsContact OG1-CG 3.31Å; T9-D85 PolarHBondContact OG1-OD1 2.79Å; T9-D85 PolarHBondContact OG1-OD2 2.75Å |
| 10 | K | 90 | Very high | 94.8 | Very high | 163 Ų | 163 | 55.6 Ų | 55.6 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65.1 | -17.6 | 175.8 | 63.8 | 174.9 | -177.1 | 178.6 | 0 | 115.3 | S8 | S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 3.12Å; S8-K10 VanDerWaalsContact OG-CG 3.29Å; S8-K10 WeakPolarHBondContact OG-CG 3.46Å |
| 11 | H | 90.7 | Very high | 95 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -112.2 | 10.6 | -178.2 | -57.7 | 141.9 | 0 | 0 | 0 | 112.8 | S8 T9 L13 | S8-H11 PolarHBondContact O-N 2.94Å; S8-H11 PolarHBondContact OG-ND1 3.46Å; T9-H11 PolarHBondContact O-N 2.93Å; H11-L13 PolarHBondContact O-N 2.63Å |
| 12 | L | 94.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | trans | -65.9 | 132.7 | 176 | -70.9 | 172.2 | 0 | 0 | 0 | 110.6 | I7 S8 T9 I168 V231 T233 F237 | I7-L12 HydrophobicContact CG2-CD2 3.84Å; I7-L12 HydrophobicContact CG2-CG 4.44Å; S8-L12 PolarHBondContact O-N 3.42Å; T9-L12 PolarHBondContact O-N 3.38Å; L12-I168 HydrophobicContact CD1-CD1 3.77Å; L12-I168 HydrophobicContact CD1-CG1 4.19Å; L12-I168 HydrophobicContact CD2-CD1 4.23Å; L12-I168 HydrophobicContact CD2-CG1 4.31Å; L12-I168 HydrophobicContact CD2-CG2 3.69Å; L12-V231 HydrophobicContact CD2-CB 4.15Å; L12-V231 HydrophobicContact CD2-CG1 3.49Å; L12-V231 VanDerWaalsContact CD2-CG1 3.49Å; L12-T233 HydrophobicContact CB-CG2 3.86Å; L12-T233 HydrophobicContact CD1-CG2 4.25Å; L12-T233 HydrophobicContact CG-CG2 4.49Å; L12-F237 HydrophobicContact CB-CE2 4.46Å; L12-F237 HydrophobicContact CD1-CE2 3.75Å; L12-F237 HydrophobicContact CD1-CZ 3.96Å | ||
| 13 | L | 95.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.7 | 173.2 | -60 | 178.4 | 0 | 0 | 0 | 108.7 | H11 D15 V231 R232 T233 | H11-L13 PolarHBondContact O-N 2.63Å; L13-D15 PolarHBondContact O-N 3.05Å; L13-V231 PolarHBondContact N-O 3.45Å; L13-R232 HydrophobicContact CB-CG 4.4Å; L13-R232 CarbonylContact O-C 3.51Å; L13-R232 WeakPolarHBondContact O-CA 3.28Å; L13-T233 PolarHBondContact O-N 3.36Å |
| 14 | Y | 95.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 54.4 Ų | 54.4 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.9 | 170.8 | 175.9 | -111.2 | 0 | 0 | 0 | 109.8 | P16 T233 I235 D236 | Y14-P16 HydrophobicContact CE1-CB 3.88Å; Y14-P16 HydrophobicContact CE1-CG 4.36Å; Y14-T233 WeakPolarHBondContact CA-O 3.31Å; Y14-I235 WeakPolarHBondContact CD2-O 3.27Å; Y14-D236 HydrophobicContact CD2-CB 4.25Å; Y14-D236 HydrophobicContact CE2-CB 3.7Å |
| 15 | D | 96.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | trans | -122.6 | 103.8 | 178.3 | -176.8 | -8.9 | 0 | 0 | 0 | 108.7 | L13 N17 L18 R232 T233 | L13-D15 PolarHBondContact O-N 3.05Å; D15-N17 PolarHBondContact O-N 2.83Å; D15-N17 WeakPolarHBondContact OD1-CB 3.18Å; D15-N17 PolarHBondContact OD1-N 2.6Å; D15-N17 VanDerWaalsContact OD1-N 3.09Å; D15-N17 PolarHBondContact OD1-ND2 3.24Å; D15-L18 HydrophobicContact CB-CD1 3.84Å; D15-L18 HydrophobicContact CB-CG 3.84Å; D15-L18 WeakPolarHBondContact O-CB 3.45Å; D15-L18 PolarHBondContact O-N 3.12Å; D15-L18 VanDerWaalsContact O-N 3.17Å; D15-R232 HydrophobicContact CB-CB 4.35Å; D15-R232 WeakPolarHBondContact OD2-CD 3.37Å; D15-R232 IonicContact OD2-CZ 2.77Å; D15-R232 IonicContact OD2-NE 3.87Å; D15-R232 IonicContact OD2-NH1 3.97Å; D15-R232 PolarHBondContact OD2-NH1 3.33Å; D15-T233 PolarHBondContact N-O 2.84Å | ||
| 16 | P | 93.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12 | -176.4 | 28.6 | -35.4 | 0 | 0 | 0 | 113.6 | Y14 L18 | Y14-P16 HydrophobicContact CE1-CB 3.88Å; Y14-P16 HydrophobicContact CE1-CG 4.36Å; P16-L18 VanDerWaalsContact C-N 3.29Å |
| 17 | N | 96.1 | Very high | 95.1 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.5 | 176.8 | -54.5 | -64.5 | 0 | 0 | 0 | 112.4 | D15 V19 | D15-N17 PolarHBondContact O-N 2.83Å; D15-N17 WeakPolarHBondContact OD1-CB 3.18Å; D15-N17 PolarHBondContact OD1-N 2.6Å; D15-N17 VanDerWaalsContact OD1-N 3.09Å; D15-N17 PolarHBondContact OD1-ND2 3.24Å; N17-V19 PolarHBondContact O-N 2.96Å; N17-V19 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 97.7 | Very high | 95 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | trans | -76.2 | 96.6 | 174 | -69 | -177.7 | 0 | 0 | 0 | 109.8 | D15 P16 P58 Y167 T169 R232 N234 | D15-L18 HydrophobicContact CB-CD1 3.84Å; D15-L18 HydrophobicContact CB-CG 3.84Å; D15-L18 WeakPolarHBondContact O-CB 3.45Å; D15-L18 PolarHBondContact O-N 3.12Å; D15-L18 VanDerWaalsContact O-N 3.17Å; P16-L18 VanDerWaalsContact C-N 3.29Å; L18-P58 HydrophobicContact CD2-CB 3.86Å; L18-Y167 WeakPolarHBondContact CB-OH 3.28Å; L18-Y167 HydrophobicContact CD1-CE2 4.22Å; L18-T169 HydrophobicContact CD1-CG2 3.78Å; L18-T169 HydrophobicContact CD2-CG2 4.43Å; L18-R232 HydrophobicContact CD1-CB 3.95Å; L18-N234 HydrophobicContact CB-CB 3.68Å; L18-N234 WeakPolarHBondContact O-CB 3.24Å | ||
| 19 | V | 97.4 | Very high | 95 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 169.9 | 171.5 | -61.1 | 0 | 0 | 0 | 0 | 111 | N17 E56 G57 Y167 | N17-V19 PolarHBondContact O-N 2.96Å; N17-V19 VanDerWaalsContact O-N 3.12Å; V19-E56 HydrophobicContact CG2-CB 3.99Å; V19-G57 WeakPolarHBondContact O-CA 3.39Å; V19-Y167 WeakPolarHBondContact O-CE1 3.35Å; V19-Y167 PolarHBondContact O-OH 2.78Å |
| 20 | P | 98.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 68 Ų | 68 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 147.7 | 171.7 | -31 | 39.5 | 0 | 0 | 0 | 113.5 | G57 M165 | P20-G57 PolarHBondContact O-N 3.3Å; P20-M165 HydrophobicContact CB-CE 4.08Å; P20-M165 HydrophobicContact CB-SD 3.75Å; P20-M165 HydrophobicContact CG-CE 3.45Å; P20-M165 VanDerWaalsContact CG-CE 3.45Å; P20-M165 HydrophobicContact CG-SD 3.84Å |
| 21 | L | 98.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.6 | 171.6 | 175.8 | 74.5 | 0 | 0 | 0 | 109.2 | I23 L59 L119 T164 Y167 I186 | L21-I23 HydrophobicContact CD2-CD1 4.27Å; L21-I23 HydrophobicContact CD2-CG1 4.16Å; L21-I23 HydrophobicContact CG-CG1 4.36Å; L21-L59 HydrophobicContact CD1-CD1 4Å; L21-L119 HydrophobicContact CD2-CD1 3.63Å; L21-L119 HydrophobicContact CD2-CD2 4.5Å; L21-T164 PolarHBondContact N-O 2.86Å; L21-T164 WeakPolarHBondContact O-CB 3.41Å; L21-T164 PolarHBondContact O-OG1 2.87Å; L21-Y167 HydrophobicContact CB-CD1 4.25Å; L21-Y167 HydrophobicContact CB-CE1 4.17Å; L21-I186 HydrophobicContact CD1-CD1 3.9Å; L21-I186 HydrophobicContact CD2-CD1 4.29Å; L21-I186 HydrophobicContact CD2-CG2 4.18Å |
| 22 | K | 98.1 | Very high | 95.5 | Very high | 99 Ų | 99 | 57.5 Ų | 57.5 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.4 | 175.3 | -177.3 | 176.3 | -177.7 | 177.9 | 0 | 111.1 | S24 F54 S55 E56 | K22-S24 WeakPolarHBondContact CE-OG 3.42Å; K22-F54 WeakPolarHBondContact O-CA 3.09Å; K22-S55 PolarHBondContact N-O 3.18Å; K22-S55 PolarHBondContact O-N 2.92Å; K22-S55 PolarHBondContact O-OG 3.47Å; K22-E56 HydrophobicContact CB-CB 4.26Å; K22-E56 HydrophobicContact CB-CG 4.22Å; K22-E56 VanDerWaalsContact CD-OE1 3.23Å; K22-E56 WeakPolarHBondContact CD-OE1 3.38Å; K22-E56 IonicContact NZ-OE1 3.26Å |
| 23 | I | 97.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 97.9 | 172 | -54.1 | 179.2 | 0 | 0 | 0 | 107.1 | L21 S26 V52 V53 F54 L119 L161 T164 | L21-I23 HydrophobicContact CD2-CD1 4.27Å; L21-I23 HydrophobicContact CD2-CG1 4.16Å; L21-I23 HydrophobicContact CG-CG1 4.36Å; I23-S26 PolarHBondContact O-OG 3.12Å; I23-V52 HydrophobicContact CG2-CG1 3.65Å; I23-V53 CarbonylContact C-O 3.44Å; I23-V53 WeakPolarHBondContact CA-O 3.35Å; I23-F54 HydrophobicContact CB-CD1 4.33Å; I23-F54 HydrophobicContact CD1-CD1 4.46Å; I23-F54 HydrophobicContact CD1-CE1 4.26Å; I23-F54 HydrophobicContact CG1-CD1 3.96Å; I23-F54 HydrophobicContact CG1-CE1 4.22Å; I23-F54 HydrophobicContact CG2-CD1 3.81Å; I23-F54 HydrophobicContact CG2-CE1 3.74Å; I23-L119 HydrophobicContact CD1-CD2 3.7Å; I23-L161 HydrophobicContact CD1-CD1 3.64Å; I23-T164 HydrophobicContact CD1-CG2 3.75Å; I23-T164 HydrophobicContact CG1-CG2 4.28Å |
| 24 | S | 96.4 | Very high | 95.8 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133.6 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | K22 V52 V53 | K22-S24 WeakPolarHBondContact CE-OG 3.42Å; S24-V52 VanDerWaalsContact O-CA 3.28Å; S24-V52 WeakPolarHBondContact O-CA 3.49Å; S24-V53 PolarHBondContact N-O 3.44Å; S24-V53 PolarHBondContact O-N 2.82Å |
| 25 | G | 94.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 6.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | D27 K28 | G25-D27 VanDerWaalsContact CA-OD1 3.28Å; G25-D27 WeakPolarHBondContact CA-OD1 3.43Å; G25-D27 PolarHBondContact O-N 2.93Å; G25-K28 WeakPolarHBondContact O-CB 3.24Å; G25-K28 PolarHBondContact O-N 3.08Å |
| 26 | S | 94 | Very high | 96 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.4 | 173.5 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | I23 K28 L157 D158 | I23-S26 PolarHBondContact O-OG 3.12Å; S26-K28 VanDerWaalsContact C-N 3.28Å; S26-L157 PolarHBondContact O-N 2.85Å; S26-D158 WeakPolarHBondContact CB-OD1 3.47Å; S26-D158 PolarHBondContact O-N 3.13Å; S26-D158 PolarHBondContact OG-OD1 2.84Å |
| 27 | D | 93.4 | Very high | 96.2 | Very high | 102 Ų | 102 | 46.4 Ų | 46.4 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.8 | 171.6 | 63.9 | -42.4 | 0 | 0 | 0 | 112.9 | G25 L156 D158 | G25-D27 VanDerWaalsContact CA-OD1 3.28Å; G25-D27 WeakPolarHBondContact CA-OD1 3.43Å; G25-D27 PolarHBondContact O-N 2.93Å; D27-L156 VanDerWaalsContact O-CD2 3.23Å; D27-L156 WeakPolarHBondContact O-CD2 3.47Å; D27-D158 PolarHBondContact N-OD2 2.79Å |
| 28 | K | 93 | Very high | 96.2 | Very high | 127 Ų | 127 | 40.4 Ų | 40.4 | 55% | 0.552 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -95.1 | 139.8 | 179.5 | -60.5 | -177.9 | -179.5 | -179.1 | 0 | 110.5 | G25 S26 I30 | G25-K28 WeakPolarHBondContact O-CB 3.24Å; G25-K28 PolarHBondContact O-N 3.08Å; S26-K28 VanDerWaalsContact C-N 3.28Å; K28-I30 PolarHBondContact O-N 3.39Å |
| 29 | Q | 92.4 | Very high | 96.1 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | trans | -63.8 | 126.5 | 171.3 | -79.5 | -174.3 | -11.7 | 0 | 0 | 110.3 | L156 | Q29-L156 HydrophobicContact CG-CD2 3.89Å; Q29-L156 HydrophobicContact CG-CG 4.1Å | ||
| 30 | I | 93.2 | Very high | 96 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.9 | 176.4 | 63.1 | 170 | 0 | 0 | 0 | 111.3 | K28 V32 I45 A50 V52 F65 G154 L155 L157 | K28-I30 PolarHBondContact O-N 3.39Å; I30-V32 HydrophobicContact CD1-CG1 3.88Å; I30-V32 HydrophobicContact CG1-CG1 4.03Å; I30-I45 HydrophobicContact CD1-CD1 4.36Å; I30-A50 HydrophobicContact CG2-CB 3.75Å; I30-V52 HydrophobicContact CG2-CG2 4.12Å; I30-F65 HydrophobicContact CD1-CE1 4.16Å; I30-G154 PolarHBondContact O-N 3.25Å; I30-L155 HydrophobicContact CG1-CB 4.21Å; I30-L155 WeakPolarHBondContact CG1-O 3.4Å; I30-L155 PolarHBondContact N-O 2.93Å; I30-L155 PolarHBondContact O-N 3.39Å; I30-L157 HydrophobicContact CD1-CD1 4.2Å; I30-L157 HydrophobicContact CD1-CD2 4.42Å; I30-L157 HydrophobicContact CD1-CG 4.06Å |
| 31 | D | 94.4 | Very high | 96 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 129.9 | 171.1 | -76.8 | -1.2 | 0 | 0 | 0 | 109.9 | L46 H153 G154 | D31-L46 HydrophobicContact CB-CB 4.38Å; D31-L46 WeakPolarHBondContact O-CB 3.44Å; D31-L46 PolarHBondContact O-N 2.6Å; D31-H153 VanDerWaalsContact OD1-CA 3.22Å; D31-H153 WeakPolarHBondContact OD1-CA 3.35Å; D31-H153 IonicContact OD1-CG 3.9Å; D31-H153 IonicContact OD1-ND1 2.7Å; D31-H153 PolarHBondContact OD1-ND1 3.26Å; D31-H153 IonicContact OD2-CE1 3.71Å; D31-H153 PolarHBondContact OD2-CE1 3.29Å; D31-H153 IonicContact OD2-ND1 2.63Å; D31-H153 PolarHBondContact OD2-ND1 3.2Å; D31-G154 PolarHBondContact OD1-N 3.46Å; D31-G154 VanDerWaalsContact OD1-N 3.13Å |
| 32 | V | 95.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.1 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | I30 V43 K44 R151 L152 L155 | I30-V32 HydrophobicContact CD1-CG1 3.88Å; I30-V32 HydrophobicContact CG1-CG1 4.03Å; V32-V43 HydrophobicContact CB-CG1 3.69Å; V32-V43 HydrophobicContact CG1-CG1 4Å; V32-V43 HydrophobicContact CG2-CG1 3.74Å; V32-K44 CarbonylContact C-O 3.51Å; V32-K44 WeakPolarHBondContact CA-O 3.24Å; V32-K44 WeakPolarHBondContact CB-O 3.34Å; V32-R151 CarbonylContact O-C 3.55Å; V32-R151 WeakPolarHBondContact O-CA 3.31Å; V32-L152 HydrophobicContact CG2-CB 3.84Å; V32-L152 HydrophobicContact CG2-CD2 4.22Å; V32-L152 HydrophobicContact CG2-CG 4.3Å; V32-L152 PolarHBondContact N-O 3.13Å; V32-L152 PolarHBondContact O-N 3.34Å; V32-L155 HydrophobicContact CG1-CD2 4.14Å; V32-L155 HydrophobicContact CG2-CD2 4.18Å |
| 33 | E | 97.3 | Very high | 95.9 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.4 | 168.6 | -171.4 | -179.2 | -138.4 | 0 | 0 | 109.5 | V35 V43 K44 L46 S149 | E33-V35 HydrophobicContact CB-CG2 4.43Å; E33-V35 HydrophobicContact CG-CG2 3.76Å; E33-V43 CarbonylContact O-C 3.4Å; E33-V43 WeakPolarHBondContact O-CA 3.29Å; E33-K44 HydrophobicContact CB-CB 4.42Å; E33-K44 PolarHBondContact N-O 2.98Å; E33-K44 PolarHBondContact O-N 3.24Å; E33-L46 HydrophobicContact CB-CD1 4.09Å; E33-L46 HydrophobicContact CB-CD2 3.87Å; E33-L46 HydrophobicContact CB-CG 4.01Å; E33-S149 VanDerWaalsContact OE1-CB 3.29Å; E33-S149 WeakPolarHBondContact OE1-CB 3.27Å; E33-S149 PolarHBondContact OE1-OG 3.01Å |
| 34 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.9 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | L41 Q42 L136 T139 A140 V143 S149 K150 | V34-L41 HydrophobicContact CG1-CD1 3.66Å; V34-L41 HydrophobicContact CG1-CD2 4.45Å; V34-L41 HydrophobicContact CG1-CG 4.13Å; V34-Q42 CarbonylContact C-O 3.58Å; V34-Q42 WeakPolarHBondContact CA-O 3.42Å; V34-L136 HydrophobicContact CG2-CD1 3.67Å; V34-T139 HydrophobicContact CB-CG2 3.86Å; V34-T139 HydrophobicContact CG2-CG2 3.65Å; V34-A140 HydrophobicContact CG1-CB 4.37Å; V34-V143 HydrophobicContact CG1-CG2 4.1Å; V34-S149 CarbonylContact O-C 3.57Å; V34-S149 WeakPolarHBondContact O-CA 3.46Å; V34-K150 PolarHBondContact N-O 2.8Å; V34-K150 PolarHBondContact O-N 2.78Å |
| 35 | V | 98.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | -172.2 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | E33 T37 Q42 K44 | E33-V35 HydrophobicContact CB-CG2 4.43Å; E33-V35 HydrophobicContact CG-CG2 3.76Å; V35-T37 HydrophobicContact CG1-CG2 4.31Å; V35-T37 PolarHBondContact O-N 3.34Å; V35-Q42 HydrophobicContact CB-CB 4.43Å; V35-Q42 PolarHBondContact N-O 2.98Å; V35-Q42 PolarHBondContact O-N 3.29Å; V35-K44 HydrophobicContact CG2-CD 4.07Å; V35-K44 HydrophobicContact CG2-CG 4.46Å |
| 36 | N | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 107.6 | 165.8 | 178.6 | -15 | 0 | 0 | 0 | 109.3 | G38 V143 Q144 L145 G147 Q148 R206 M216 | N36-G38 VanDerWaalsContact C-N 3.29Å; N36-G38 WeakPolarHBondContact OD1-CA 3.41Å; N36-G38 PolarHBondContact OD1-N 2.98Å; N36-V143 HydrophobicContact CB-CB 4.33Å; N36-V143 HydrophobicContact CB-CG2 4.31Å; N36-V143 WeakPolarHBondContact CB-O 3.33Å; N36-V143 PolarHBondContact ND2-O 2.79Å; N36-Q144 VanDerWaalsContact ND2-C 3.34Å; N36-Q144 PolarHBondContact ND2-O 3.44Å; N36-L145 PolarHBondContact ND2-O 3.11Å; N36-G147 PolarHBondContact O-N 3.39Å; N36-Q148 PolarHBondContact N-O 3.5Å; N36-R206 PolarHBondContact ND2-O 3.4Å; N36-R206 PolarHBondContact OD1-O 2.77Å; N36-M216 WeakPolarHBondContact OD1-CE 3.32Å |
| 37 | T | 97.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | trans | -84.3 | -8.2 | -179.8 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | V35 Q39 D40 Q42 K146 | V35-T37 HydrophobicContact CG1-CG2 4.31Å; V35-T37 PolarHBondContact O-N 3.34Å; T37-Q39 PolarHBondContact O-N 3.35Å; T37-Q39 PolarHBondContact OG1-N 3.26Å; T37-D40 PolarHBondContact N-O 2.89Å; T37-D40 PolarHBondContact OG1-N 3.41Å; T37-D40 PolarHBondContact OG1-O 3.08Å; T37-Q42 HydrophobicContact CG2-CB 3.95Å; T37-K146 VanDerWaalsContact O-CE 3.31Å; T37-K146 WeakPolarHBondContact O-CE 3.15Å | ||
| 38 | G | 96.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 80 | -13.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N36 I207 | N36-G38 VanDerWaalsContact C-N 3.29Å; N36-G38 WeakPolarHBondContact OD1-CA 3.41Å; N36-G38 PolarHBondContact OD1-N 2.98Å; G38-I207 WeakPolarHBondContact O-CA 3.38Å; G38-I207 WeakPolarHBondContact O-CB 3.16Å; G38-I207 WeakPolarHBondContact O-CG2 3.44Å |
| 39 | Q | 94.8 | Very high | 91.8 | Very high | 140 Ų | 140 | 45.2 Ų | 45.2 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -103.2 | -41.8 | 169.5 | -66.9 | 178.3 | 6.4 | 0 | 0 | 110.5 | T37 N219 | T37-Q39 PolarHBondContact O-N 3.35Å; T37-Q39 PolarHBondContact OG1-N 3.26Å; Q39-N219 WeakPolarHBondContact O-CB 3.29Å |
| 40 | D | 95.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -142.9 | 160.8 | -175.1 | -51.4 | -51.1 | 0 | 0 | 0 | 111 | T37 L69 K71 M216 N219 | T37-D40 PolarHBondContact N-O 2.89Å; T37-D40 PolarHBondContact OG1-N 3.41Å; T37-D40 PolarHBondContact OG1-O 3.08Å; D40-L69 HydrophobicContact CB-CD2 4.16Å; D40-K71 IonicContact OD1-NZ 2.83Å; D40-K71 PolarHBondContact OD1-NZ 3.21Å; D40-K71 IonicContact OD2-NZ 3.5Å; D40-M216 VanDerWaalsContact C-SD 3.56Å; D40-N219 PolarHBondContact OD1-ND2 3.12Å | ||
| 41 | L | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.3 | 161.9 | -172.4 | 71.2 | 0 | 0 | 0 | 108.6 | V34 I70 A140 V143 L202 L205 | V34-L41 HydrophobicContact CG1-CD1 3.66Å; V34-L41 HydrophobicContact CG1-CD2 4.45Å; V34-L41 HydrophobicContact CG1-CG 4.13Å; L41-I70 HydrophobicContact CB-CB 4.39Å; L41-I70 HydrophobicContact CD2-CB 4.45Å; L41-I70 HydrophobicContact CD2-CD1 3.85Å; L41-I70 PolarHBondContact O-N 3.31Å; L41-A140 HydrophobicContact CD1-CB 4.05Å; L41-A140 HydrophobicContact CD2-CB 3.45Å; L41-A140 VanDerWaalsContact CD2-CB 3.45Å; L41-A140 HydrophobicContact CG-CB 4.39Å; L41-V143 HydrophobicContact CD1-CG2 4.06Å; L41-L202 HydrophobicContact CD2-CD2 3.72Å; L41-L205 HydrophobicContact CB-CD1 4.15Å; L41-L205 HydrophobicContact CD1-CD1 3.94Å; L41-L205 HydrophobicContact CD2-CD1 4.29Å; L41-L205 HydrophobicContact CG-CD1 4.37Å |
| 42 | Q | 97.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.3 | -177.5 | -175.5 | 176.2 | 35.2 | 0 | 0 | 110.7 | V34 V35 T37 K44 A68 L69 | V34-Q42 CarbonylContact C-O 3.58Å; V34-Q42 WeakPolarHBondContact CA-O 3.42Å; V35-Q42 HydrophobicContact CB-CB 4.43Å; V35-Q42 PolarHBondContact N-O 2.98Å; V35-Q42 PolarHBondContact O-N 3.29Å; T37-Q42 HydrophobicContact CG2-CB 3.95Å; Q42-K44 VanDerWaalsContact CD-CE 3.44Å; Q42-K44 HydrophobicContact CG-CG 3.93Å; Q42-A68 WeakPolarHBondContact CA-O 3.23Å; Q42-L69 HydrophobicContact CB-CD2 3.89Å; Q42-L69 HydrophobicContact CG-CD2 3.89Å |
| 43 | V | 97.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.3 | 172 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | V32 E33 G67 A68 I70 L136 | V32-V43 HydrophobicContact CB-CG1 3.69Å; V32-V43 HydrophobicContact CG1-CG1 4Å; V32-V43 HydrophobicContact CG2-CG1 3.74Å; E33-V43 CarbonylContact O-C 3.4Å; E33-V43 WeakPolarHBondContact O-CA 3.29Å; V43-G67 CarbonylContact O-C 3.55Å; V43-G67 WeakPolarHBondContact O-CA 3.15Å; V43-A68 HydrophobicContact CB-CB 4.17Å; V43-A68 PolarHBondContact N-O 3.27Å; V43-A68 PolarHBondContact O-N 2.8Å; V43-I70 HydrophobicContact CG2-CD1 4.46Å; V43-L136 HydrophobicContact CG1-CD1 4.22Å; V43-L136 HydrophobicContact CG2-CD1 3.85Å; V43-L136 HydrophobicContact CG2-CD2 4.36Å |
| 44 | K | 95.4 | Very high | 90.2 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.339 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132 | -179.2 | -59.6 | 179.2 | -176.9 | 172 | 0 | 109.5 | V32 E33 V35 Q42 L46 | V32-K44 CarbonylContact C-O 3.51Å; V32-K44 WeakPolarHBondContact CA-O 3.24Å; V32-K44 WeakPolarHBondContact CB-O 3.34Å; E33-K44 HydrophobicContact CB-CB 4.42Å; E33-K44 PolarHBondContact N-O 2.98Å; E33-K44 PolarHBondContact O-N 3.24Å; V35-K44 HydrophobicContact CG2-CD 4.07Å; V35-K44 HydrophobicContact CG2-CG 4.46Å; Q42-K44 VanDerWaalsContact CD-CE 3.44Å; Q42-K44 HydrophobicContact CG-CG 3.93Å; K44-L46 PolarHBondContact O-N 3.08Å |
| 45 | I | 93 | Very high | 90.2 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.9 | 169.2 | -166.9 | 167.5 | 0 | 0 | 0 | 109.4 | I30 F65 F66 | I30-I45 HydrophobicContact CD1-CD1 4.36Å; I45-F65 HydrophobicContact CB-CD1 4.42Å; I45-F65 HydrophobicContact CB-CE1 4.31Å; I45-F65 HydrophobicContact CD1-CD1 4.04Å; I45-F66 WeakPolarHBondContact CG2-O 3.39Å |
| 46 | L | 90.5 | Very high | 90.2 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | trans | -94.4 | -35.7 | 177.5 | -69.2 | 176.1 | 0 | 0 | 0 | 112 | D31 E33 K44 S48 R151 | D31-L46 HydrophobicContact CB-CB 4.38Å; D31-L46 WeakPolarHBondContact O-CB 3.44Å; D31-L46 PolarHBondContact O-N 2.6Å; E33-L46 HydrophobicContact CB-CD1 4.09Å; E33-L46 HydrophobicContact CB-CD2 3.87Å; E33-L46 HydrophobicContact CB-CG 4.01Å; K44-L46 PolarHBondContact O-N 3.08Å; L46-S48 PolarHBondContact O-N 3.11Å; L46-R151 HydrophobicContact CD1-CB 4.42Å; L46-R151 HydrophobicContact CD1-CG 3.82Å | ||
| 47 | D | 75 | Confident | 90.1 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -83.5 | 112 | -178.2 | -174.8 | 7.2 | 0 | 0 | 0 | 111.1 | T49 A50 | D47-T49 VanDerWaalsContact C-N 3.27Å; D47-T49 VanDerWaalsContact CG-OG1 3.23Å; D47-T49 WeakPolarHBondContact OD1-CA 3.3Å; D47-T49 VanDerWaalsContact OD1-CB 3.32Å; D47-T49 WeakPolarHBondContact OD1-CB 3.36Å; D47-T49 PolarHBondContact OD1-N 2.78Å; D47-T49 PolarHBondContact OD1-OG1 3.3Å; D47-T49 PolarHBondContact OD2-OG1 2.86Å; D47-T49 VanDerWaalsContact OD2-OG1 3.05Å; D47-A50 HydrophobicContact CB-CB 4.07Å; D47-A50 PolarHBondContact OD1-N 3.32Å; D47-A50 VanDerWaalsContact OD2-CB 3.28Å; D47-A50 WeakPolarHBondContact OD2-CB 3.39Å; D47-A50 PolarHBondContact OD2-N 3.12Å | ||
| 48 | S | 64.7 | Low | 90.1 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -74.2 | -19.9 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | L46 K64 | L46-S48 PolarHBondContact O-N 3.11Å; S48-K64 PolarHBondContact O-NZ 3.21Å |
| 49 | T | 63.7 | Low | 90.2 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 68% | 0.675 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -83.2 | -38.2 | -177.2 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | D47 S51 | D47-T49 VanDerWaalsContact C-N 3.27Å; D47-T49 VanDerWaalsContact CG-OG1 3.23Å; D47-T49 WeakPolarHBondContact OD1-CA 3.3Å; D47-T49 VanDerWaalsContact OD1-CB 3.32Å; D47-T49 WeakPolarHBondContact OD1-CB 3.36Å; D47-T49 PolarHBondContact OD1-N 2.78Å; D47-T49 PolarHBondContact OD1-OG1 3.3Å; D47-T49 PolarHBondContact OD2-OG1 2.86Å; D47-T49 VanDerWaalsContact OD2-OG1 3.05Å; T49-S51 PolarHBondContact O-N 3.39Å; T49-S51 PolarHBondContact O-OG 2.89Å |
| 50 | A | 64.8 | Low | 90.2 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -62.4 | 94.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I30 D47 V52 | I30-A50 HydrophobicContact CG2-CB 3.75Å; D47-A50 HydrophobicContact CB-CB 4.07Å; D47-A50 PolarHBondContact OD1-N 3.32Å; D47-A50 VanDerWaalsContact OD2-CB 3.28Å; D47-A50 WeakPolarHBondContact OD2-CB 3.39Å; D47-A50 PolarHBondContact OD2-N 3.12Å; A50-V52 PolarHBondContact O-N 3.23Å |
| 51 | S | 84.8 | Confident | 90.4 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | trans | -90.5 | 86.7 | 178.2 | -64 | 0 | 0 | 0 | 0 | 109.7 | T49 V53 K64 | T49-S51 PolarHBondContact O-N 3.39Å; T49-S51 PolarHBondContact O-OG 2.89Å; S51-V53 PolarHBondContact O-N 3.08Å; S51-K64 PolarHBondContact OG-NZ 3.12Å | ||
| 52 | V | 95.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | trans | -71.8 | 120.9 | 163 | 178.2 | 0 | 0 | 0 | 0 | 108 | I23 S24 I30 A50 F54 F65 L157 | I23-V52 HydrophobicContact CG2-CG1 3.65Å; S24-V52 VanDerWaalsContact O-CA 3.28Å; S24-V52 WeakPolarHBondContact O-CA 3.49Å; I30-V52 HydrophobicContact CG2-CG2 4.12Å; A50-V52 PolarHBondContact O-N 3.23Å; V52-F54 HydrophobicContact CG1-CE1 4.01Å; V52-F65 HydrophobicContact CB-CB 3.74Å; V52-F65 HydrophobicContact CB-CD1 4.27Å; V52-F65 HydrophobicContact CB-CG 4.34Å; V52-F65 HydrophobicContact CG1-CB 3.84Å; V52-F65 HydrophobicContact CG1-CG 4.32Å; V52-F65 WeakPolarHBondContact O-CB 3.05Å; V52-F65 PolarHBondContact O-N 3.12Å; V52-L157 HydrophobicContact CB-CD1 4.4Å; V52-L157 HydrophobicContact CG1-CD1 3.72Å; V52-L157 HydrophobicContact CG2-CD1 4.05Å | ||
| 53 | V | 96.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.7 | -173.2 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | I23 S24 S51 N62 Y63 F100 | I23-V53 CarbonylContact C-O 3.44Å; I23-V53 WeakPolarHBondContact CA-O 3.35Å; S24-V53 PolarHBondContact N-O 3.44Å; S24-V53 PolarHBondContact O-N 2.82Å; S51-V53 PolarHBondContact O-N 3.08Å; V53-N62 HydrophobicContact CG1-CB 3.83Å; V53-Y63 CarbonylContact C-O 3.57Å; V53-Y63 WeakPolarHBondContact CA-O 3.46Å; V53-F100 HydrophobicContact CG1-CE1 4.21Å |
| 54 | F | 98.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.4 | 171.9 | -54.4 | -9.9 | 0 | 0 | 0 | 108.8 | K22 I23 V52 L59 N62 Y63 F65 L95 A97 A117 L119 | K22-F54 WeakPolarHBondContact O-CA 3.09Å; I23-F54 HydrophobicContact CB-CD1 4.33Å; I23-F54 HydrophobicContact CD1-CD1 4.46Å; I23-F54 HydrophobicContact CD1-CE1 4.26Å; I23-F54 HydrophobicContact CG1-CD1 3.96Å; I23-F54 HydrophobicContact CG1-CE1 4.22Å; I23-F54 HydrophobicContact CG2-CD1 3.81Å; I23-F54 HydrophobicContact CG2-CE1 3.74Å; V52-F54 HydrophobicContact CG1-CE1 4.01Å; F54-L59 HydrophobicContact CB-CD1 3.76Å; F54-N62 WeakPolarHBondContact O-CA 3.44Å; F54-Y63 PolarHBondContact N-O 2.91Å; F54-Y63 PolarHBondContact O-N 2.66Å; F54-F65 HydrophobicContact CE1-CB 4.39Å; F54-F65 HydrophobicContact CZ-CB 4.5Å; F54-F65 AromaticContact CZ-CD2 3.95Å; F54-F65 HydrophobicContact CZ-CD2 3.95Å; F54-L95 HydrophobicContact CE2-CB 4.35Å; F54-L95 HydrophobicContact CZ-CB 4.03Å; F54-L95 HydrophobicContact CZ-CD2 4.16Å; F54-A97 HydrophobicContact CD2-CB 3.49Å; F54-A97 VanDerWaalsContact CD2-CB 3.49Å; F54-A97 HydrophobicContact CE2-CB 3.61Å; F54-A97 HydrophobicContact CG-CB 4.16Å; F54-A97 HydrophobicContact CZ-CB 4.36Å; F54-A117 HydrophobicContact CD2-CB 4.48Å; F54-L119 HydrophobicContact CE2-CB 4.05Å |
| 55 | S | 98.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168 | -177 | 55 | 0 | 0 | 0 | 0 | 109.8 | K22 N62 | K22-S55 PolarHBondContact N-O 3.18Å; K22-S55 PolarHBondContact O-N 2.92Å; K22-S55 PolarHBondContact O-OG 3.47Å; S55-N62 WeakPolarHBondContact CB-OD1 3.28Å |
| 56 | E | 98 | Very high | 90.4 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.2 | -153.4 | -179.1 | -53.8 | 176.3 | -161.5 | 0 | 0 | 111.4 | V19 K22 L59 | V19-E56 HydrophobicContact CG2-CB 3.99Å; K22-E56 HydrophobicContact CB-CB 4.26Å; K22-E56 HydrophobicContact CB-CG 4.22Å; K22-E56 VanDerWaalsContact CD-OE1 3.23Å; K22-E56 WeakPolarHBondContact CD-OE1 3.38Å; K22-E56 IonicContact NZ-OE1 3.26Å; E56-L59 VanDerWaalsContact O-CB 3.28Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 3.47Å |
| 57 | G | 98 | Very high | 90.6 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -123.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V19 P20 L59 Y167 | V19-G57 WeakPolarHBondContact O-CA 3.39Å; P20-G57 PolarHBondContact O-N 3.3Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-Y167 WeakPolarHBondContact CA-OH 3.44Å |
| 58 | P | 97.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.104 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.1 | 175.8 | 34.8 | -28.7 | 0 | 0 | 0 | 113.8 | L18 Y167 T169 T184 I186 | L18-P58 HydrophobicContact CD2-CB 3.86Å; P58-Y167 HydrophobicContact CB-CE2 4.37Å; P58-Y167 WeakPolarHBondContact CD-OH 3.15Å; P58-Y167 HydrophobicContact CG-CE2 3.9Å; P58-T169 HydrophobicContact CB-CG2 3.81Å; P58-T169 WeakPolarHBondContact CB-OG1 3.42Å; P58-T169 HydrophobicContact CG-CG2 4.26Å; P58-T169 WeakPolarHBondContact CG-OG1 3.46Å; P58-T184 HydrophobicContact CB-CG2 4.44Å; P58-T184 HydrophobicContact CG-CG2 4.28Å; P58-I186 HydrophobicContact CG-CD1 3.92Å; P58-I186 HydrophobicContact CG-CG1 3.67Å |
| 59 | L | 98.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | trans | -90.7 | 127.7 | -171.1 | -54.9 | 176.1 | 0 | 0 | 0 | 110.8 | L21 F54 E56 G57 Y61 Y63 A117 T184 I186 | L21-L59 HydrophobicContact CD1-CD1 4Å; F54-L59 HydrophobicContact CB-CD1 3.76Å; E56-L59 VanDerWaalsContact O-CB 3.28Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 3.47Å; G57-L59 VanDerWaalsContact C-N 3.34Å; L59-Y61 WeakPolarHBondContact CB-O 3.27Å; L59-Y63 HydrophobicContact CB-CD2 4.32Å; L59-Y63 HydrophobicContact CB-CE2 4.16Å; L59-Y63 HydrophobicContact CD1-CD2 3.94Å; L59-Y63 HydrophobicContact CD1-CE2 4.48Å; L59-Y63 HydrophobicContact CD2-CD2 4.14Å; L59-Y63 HydrophobicContact CD2-CE2 3.94Å; L59-Y63 HydrophobicContact CG-CD2 4.36Å; L59-Y63 HydrophobicContact CG-CE2 4.42Å; L59-A117 HydrophobicContact CD1-CB 4.12Å; L59-A117 HydrophobicContact CD2-CB 3.63Å; L59-T184 HydrophobicContact CD2-CG2 4.06Å; L59-I186 HydrophobicContact CD1-CD1 4.19Å; L59-I186 HydrophobicContact CD2-CD1 4.02Å; L59-I186 HydrophobicContact CG-CD1 4.15Å | ||
| 60 | V | 95.5 | Very high | 94.9 | Very high | 123 Ų | 123 | 32.4 Ų | 32.4 | 75% | 0.745 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -81.6 | -23.3 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 61 | Y | 97.6 | Very high | 96.4 | Very high | 77 Ų | 77 | 32.2 Ų | 32.2 | 30% | 0.302 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -123.6 | 170.8 | -179.1 | -59.1 | -85.5 | 0 | 0 | 0 | 110.5 | L59 Y63 N99 L102 N114 | L59-Y61 WeakPolarHBondContact CB-O 3.27Å; Y61-Y63 VanDerWaalsContact O-CD2 3.23Å; Y61-Y63 WeakPolarHBondContact O-CD2 3.39Å; Y61-Y63 WeakPolarHBondContact O-CE2 3.23Å; Y61-N99 WeakPolarHBondContact CB-ND2 3.08Å; Y61-N99 VanDerWaalsContact CD2-ND2 3.31Å; Y61-N99 WeakPolarHBondContact CD2-ND2 3.4Å; Y61-L102 HydrophobicContact CD1-CG 4.48Å; Y61-L102 HydrophobicContact CE1-CD1 4.18Å; Y61-L102 HydrophobicContact CE1-CD2 4.16Å; Y61-L102 HydrophobicContact CE1-CG 4.26Å; Y61-L102 HydrophobicContact CE2-CD1 4.13Å; Y61-N114 HydrophobicContact CD2-CB 4.29Å; Y61-N114 HydrophobicContact CE2-CB 4.18Å |
| 62 | N | 97.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 29.4 Ų | 29.4 | 39% | 0.385 | 15% | 0.153 | S | C | . | . | trans | -89.9 | 138.1 | 169.5 | -66.1 | -11.6 | 0 | 0 | 0 | 110.3 | V53 F54 S55 F100 | V53-N62 HydrophobicContact CG1-CB 3.83Å; F54-N62 WeakPolarHBondContact O-CA 3.44Å; S55-N62 WeakPolarHBondContact CB-OD1 3.28Å; N62-F100 HydrophobicContact CB-CE1 3.63Å; N62-F100 HydrophobicContact CB-CZ 4.09Å; N62-F100 WeakPolarHBondContact O-CD1 3.43Å; N62-F100 WeakPolarHBondContact O-CE1 3.36Å | ||
| 63 | Y | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.1 | -176.9 | -68.2 | -107 | 0 | 0 | 0 | 110.1 | V53 F54 L59 Y61 F98 N99 N114 L116 A117 | V53-Y63 CarbonylContact C-O 3.57Å; V53-Y63 WeakPolarHBondContact CA-O 3.46Å; F54-Y63 PolarHBondContact N-O 2.91Å; F54-Y63 PolarHBondContact O-N 2.66Å; L59-Y63 HydrophobicContact CB-CD2 4.32Å; L59-Y63 HydrophobicContact CB-CE2 4.16Å; L59-Y63 HydrophobicContact CD1-CD2 3.94Å; L59-Y63 HydrophobicContact CD1-CE2 4.48Å; L59-Y63 HydrophobicContact CD2-CD2 4.14Å; L59-Y63 HydrophobicContact CD2-CE2 3.94Å; L59-Y63 HydrophobicContact CG-CD2 4.36Å; L59-Y63 HydrophobicContact CG-CE2 4.42Å; Y61-Y63 VanDerWaalsContact O-CD2 3.23Å; Y61-Y63 WeakPolarHBondContact O-CD2 3.39Å; Y61-Y63 WeakPolarHBondContact O-CE2 3.23Å; Y63-F98 CarbonylContact C-O 3.59Å; Y63-F98 WeakPolarHBondContact CA-O 3.21Å; Y63-F98 VanDerWaalsContact CD1-C 3.41Å; Y63-N99 HydrophobicContact CD1-CB 3.95Å; Y63-N99 VanDerWaalsContact CD1-N 3.26Å; Y63-N99 HydrophobicContact CE1-CB 3.56Å; Y63-N114 VanDerWaalsContact CE1-O 3.27Å; Y63-N114 WeakPolarHBondContact CE1-O 3.45Å; Y63-N114 PolarHBondContact OH-O 2.88Å; Y63-L116 VanDerWaalsContact CE1-C 3.44Å; Y63-A117 HydrophobicContact CD1-CB 3.57Å; Y63-A117 HydrophobicContact CD2-CB 3.97Å; Y63-A117 HydrophobicContact CE1-CB 4.04Å; Y63-A117 HydrophobicContact CE2-CB 4.41Å; Y63-A117 HydrophobicContact CG-CB 3.56Å |
| 64 | K | 95.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 30.6 Ų | 30.6 | 22% | 0.222 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.7 | 178 | -174.1 | 170.4 | -179.5 | 167.1 | 0 | 109.2 | S48 S51 A97 F98 F100 | S48-K64 PolarHBondContact O-NZ 3.21Å; S51-K64 PolarHBondContact OG-NZ 3.12Å; K64-A97 CarbonylContact O-C 3.44Å; K64-A97 WeakPolarHBondContact O-CA 3.22Å; K64-A97 WeakPolarHBondContact O-CB 3.43Å; K64-F98 HydrophobicContact CB-CD1 4.48Å; K64-F98 HydrophobicContact CB-CE1 4Å; K64-F98 HydrophobicContact CB-CZ 4.35Å; K64-F98 HydrophobicContact CG-CE1 4.43Å; K64-F98 PolarHBondContact N-O 3.48Å; K64-F98 WeakPolarHBondContact O-CD1 3.42Å; K64-F98 PolarHBondContact O-N 3.32Å; K64-F100 HydrophobicContact CB-CB 4.11Å; K64-F100 HydrophobicContact CB-CD1 3.75Å; K64-F100 HydrophobicContact CB-CE1 4.46Å; K64-F100 HydrophobicContact CB-CG 4.09Å |
| 65 | F | 95.7 | Very high | 97 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 136.3 | 174.9 | 178.3 | -119.5 | 0 | 0 | 0 | 110.6 | I30 I45 V52 F54 G67 L95 L157 | I30-F65 HydrophobicContact CD1-CE1 4.16Å; I45-F65 HydrophobicContact CB-CD1 4.42Å; I45-F65 HydrophobicContact CB-CE1 4.31Å; I45-F65 HydrophobicContact CD1-CD1 4.04Å; V52-F65 HydrophobicContact CB-CB 3.74Å; V52-F65 HydrophobicContact CB-CD1 4.27Å; V52-F65 HydrophobicContact CB-CG 4.34Å; V52-F65 HydrophobicContact CG1-CB 3.84Å; V52-F65 HydrophobicContact CG1-CG 4.32Å; V52-F65 WeakPolarHBondContact O-CB 3.05Å; V52-F65 PolarHBondContact O-N 3.12Å; F54-F65 HydrophobicContact CE1-CB 4.39Å; F54-F65 HydrophobicContact CZ-CB 4.5Å; F54-F65 AromaticContact CZ-CD2 3.95Å; F54-F65 HydrophobicContact CZ-CD2 3.95Å; F65-G67 VanDerWaalsContact CE2-C 3.47Å; F65-G67 WeakPolarHBondContact CE2-O 3.09Å; F65-L95 HydrophobicContact CD2-CB 4.2Å; F65-L95 HydrophobicContact CD2-CD2 4.34Å; F65-L95 HydrophobicContact CE2-CB 3.72Å; F65-L95 HydrophobicContact CE2-CD2 3.82Å; F65-L95 HydrophobicContact CE2-CG 3.75Å; F65-L95 HydrophobicContact CZ-CD2 4.35Å; F65-L95 HydrophobicContact CZ-CG 4.4Å; F65-L157 HydrophobicContact CD1-CD1 4.43Å; F65-L157 HydrophobicContact CE1-CD1 4.38Å |
| 66 | F | 94.6 | Very high | 97 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -37.7 | -177.3 | 174.3 | -103.9 | 0 | 0 | 0 | 112.1 | I45 Y96 F98 F106 | I45-F66 WeakPolarHBondContact CG2-O 3.39Å; F66-Y96 WeakPolarHBondContact CB-O 3.44Å; F66-Y96 PolarHBondContact N-O 2.86Å; F66-F98 HydrophobicContact CB-CD1 4.31Å; F66-F106 HydrophobicContact CB-CD2 3.56Å; F66-F106 HydrophobicContact CB-CE2 4.05Å; F66-F106 HydrophobicContact CB-CG 4.21Å; F66-F106 HydrophobicContact CD1-CB 4.29Å; F66-F106 AromaticContact CD1-CD1 3.78Å; F66-F106 HydrophobicContact CD1-CD1 3.78Å; F66-F106 AromaticContact CD1-CD2 3.52Å; F66-F106 HydrophobicContact CD1-CD2 3.52Å; F66-F106 AromaticContact CD1-CE1 3.89Å; F66-F106 HydrophobicContact CD1-CE1 3.89Å; F66-F106 AromaticContact CD1-CE2 3.7Å; F66-F106 HydrophobicContact CD1-CE2 3.7Å; F66-F106 AromaticContact CD1-CG 3.59Å; F66-F106 HydrophobicContact CD1-CG 3.59Å; F66-F106 AromaticContact CD1-CZ 3.88Å; F66-F106 HydrophobicContact CD1-CZ 3.88Å; F66-F106 HydrophobicContact CD2-CB 3.53Å; F66-F106 HydrophobicContact CD2-CD1 4.46Å; F66-F106 HydrophobicContact CD2-CD2 4.03Å; F66-F106 AromaticContact CD2-CG 3.77Å; F66-F106 HydrophobicContact CD2-CG 3.77Å; F66-F106 HydrophobicContact CE1-CB 4.41Å; F66-F106 AromaticContact CE1-CD1 3.58Å; F66-F106 HydrophobicContact CE1-CD1 3.58Å; F66-F106 HydrophobicContact CE1-CD2 4.2Å; F66-F106 AromaticContact CE1-CE1 3.79Å; F66-F106 HydrophobicContact CE1-CE1 3.79Å; F66-F106 HydrophobicContact CE1-CE2 4.43Å; F66-F106 AromaticContact CE1-CG 3.81Å; F66-F106 HydrophobicContact CE1-CG 3.81Å; F66-F106 HydrophobicContact CE1-CZ 4.24Å; F66-F106 HydrophobicContact CE2-CB 3.67Å; F66-F106 HydrophobicContact CE2-CD1 4.3Å; F66-F106 AromaticContact CE2-CG 3.99Å; F66-F106 HydrophobicContact CE2-CG 3.99Å; F66-F106 HydrophobicContact CG-CB 3.86Å; F66-F106 HydrophobicContact CG-CD1 4.21Å; F66-F106 AromaticContact CG-CD2 3.41Å; F66-F106 HydrophobicContact CG-CD2 3.41Å; F66-F106 VanDerWaalsContact CG-CD2 3.41Å; F66-F106 AromaticContact CG-CE2 4Å; F66-F106 HydrophobicContact CG-CE2 4Å; F66-F106 AromaticContact CG-CG 3.57Å; F66-F106 HydrophobicContact CG-CG 3.57Å; F66-F106 HydrophobicContact CZ-CB 4.12Å; F66-F106 AromaticContact CZ-CD1 3.87Å; F66-F106 HydrophobicContact CZ-CD1 3.87Å; F66-F106 HydrophobicContact CZ-CE1 4.49Å; F66-F106 HydrophobicContact CZ-CG 4Å |
| 67 | G | 95.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V43 F65 Y96 | V43-G67 CarbonylContact O-C 3.55Å; V43-G67 WeakPolarHBondContact O-CA 3.15Å; F65-G67 VanDerWaalsContact CE2-C 3.47Å; F65-G67 WeakPolarHBondContact CE2-O 3.09Å; G67-Y96 PolarHBondContact N-O 2.98Å; G67-Y96 PolarHBondContact O-N 3.14Å |
| 68 | A | 97.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q42 V43 L93 Q94 L95 | Q42-A68 WeakPolarHBondContact CA-O 3.23Å; V43-A68 HydrophobicContact CB-CB 4.17Å; V43-A68 PolarHBondContact N-O 3.27Å; V43-A68 PolarHBondContact O-N 2.8Å; A68-L93 HydrophobicContact CB-CD1 3.86Å; A68-Q94 CarbonylContact C-O 3.5Å; A68-Q94 WeakPolarHBondContact CA-O 3.41Å; A68-Q94 WeakPolarHBondContact CB-O 3.27Å; A68-L95 HydrophobicContact CB-CD1 4.45Å; A68-L95 HydrophobicContact CB-CG 4.13Å |
| 69 | L | 97.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141 | 166.6 | -61.1 | 178 | 0 | 0 | 0 | 108.9 | D40 Q42 Q94 Y96 F176 | D40-L69 HydrophobicContact CB-CD2 4.16Å; Q42-L69 HydrophobicContact CB-CD2 3.89Å; Q42-L69 HydrophobicContact CG-CD2 3.89Å; L69-Q94 PolarHBondContact N-O 3.01Å; L69-Q94 PolarHBondContact O-N 2.64Å; L69-Y96 HydrophobicContact CB-CE2 4.01Å; L69-Y96 HydrophobicContact CD1-CE2 3.72Å; L69-Y96 HydrophobicContact CG-CD2 4.31Å; L69-Y96 HydrophobicContact CG-CE2 3.71Å; L69-F176 HydrophobicContact CD1-CD1 4.01Å; L69-F176 HydrophobicContact CD1-CE1 3.73Å |
| 70 | I | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.3 | 171.4 | -60 | 169.6 | 0 | 0 | 0 | 108.1 | L41 V43 F72 L93 L136 L137 L202 N219 | L41-I70 HydrophobicContact CB-CB 4.39Å; L41-I70 HydrophobicContact CD2-CB 4.45Å; L41-I70 HydrophobicContact CD2-CD1 3.85Å; L41-I70 PolarHBondContact O-N 3.31Å; V43-I70 HydrophobicContact CG2-CD1 4.46Å; I70-F72 HydrophobicContact CG2-CD1 4.13Å; I70-L93 HydrophobicContact CD1-CD1 4.47Å; I70-L93 HydrophobicContact CG1-CD1 3.76Å; I70-L136 HydrophobicContact CD1-CD2 4.08Å; I70-L137 HydrophobicContact CD1-CD2 4.49Å; I70-L202 HydrophobicContact CG2-CD1 4.33Å; I70-N219 PolarHBondContact O-ND2 3.41Å; I70-N219 VanDerWaalsContact O-ND2 3.11Å |
| 71 | K | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.4 | 173.8 | -56.5 | -56.1 | -164.6 | 166.2 | 0 | 109.1 | D40 G79 A91 E92 N219 | D40-K71 IonicContact OD1-NZ 2.83Å; D40-K71 PolarHBondContact OD1-NZ 3.21Å; D40-K71 IonicContact OD2-NZ 3.5Å; K71-G79 CarbonylContact C-O 3.52Å; K71-A91 CarbonylContact O-C 3.52Å; K71-A91 WeakPolarHBondContact O-CA 3.23Å; K71-A91 WeakPolarHBondContact O-CB 3.18Å; K71-E92 HydrophobicContact CB-CB 4.31Å; K71-E92 PolarHBondContact N-O 3.49Å; K71-E92 PolarHBondContact O-N 2.83Å; K71-N219 VanDerWaalsContact CA-OD1 3.31Å; K71-N219 WeakPolarHBondContact CA-OD1 3.42Å; K71-N219 WeakPolarHBondContact CD-O 3.28Å; K71-N219 PolarHBondContact NZ-O 2.95Å |
| 72 | F | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 150.5 | -178.3 | 57.2 | -85.2 | 0 | 0 | 0 | 112 | I70 G79 A91 L199 L202 R203 L205 M216 D218 N219 | I70-F72 HydrophobicContact CG2-CD1 4.13Å; F72-G79 PolarHBondContact N-O 3.29Å; F72-A91 HydrophobicContact CB-CB 3.89Å; F72-L199 HydrophobicContact CB-CD2 4.42Å; F72-L202 HydrophobicContact CB-CD1 4.45Å; F72-L202 HydrophobicContact CD1-CB 4.38Å; F72-L202 HydrophobicContact CD1-CD1 4.23Å; F72-L202 HydrophobicContact CD2-CB 3.89Å; F72-L202 HydrophobicContact CE1-CB 4.33Å; F72-L202 HydrophobicContact CE2-CB 3.8Å; F72-L202 VanDerWaalsContact CE2-O 3.31Å; F72-L202 WeakPolarHBondContact CE2-O 3.23Å; F72-L202 HydrophobicContact CG-CB 4.18Å; F72-L202 HydrophobicContact CG-CD1 4.23Å; F72-L202 HydrophobicContact CZ-CB 4.04Å; F72-L202 WeakPolarHBondContact CZ-O 3.33Å; F72-R203 HydrophobicContact CD2-CG 4.43Å; F72-L205 HydrophobicContact CE1-CD1 4.34Å; F72-L205 HydrophobicContact CZ-CD1 3.95Å; F72-M216 HydrophobicContact CE1-CG 4.39Å; F72-M216 HydrophobicContact CE1-SD 3.94Å; F72-M216 HydrophobicContact CE2-CG 4.47Å; F72-M216 WeakPolarHBondContact CE2-O 3.38Å; F72-M216 HydrophobicContact CZ-CB 4.27Å; F72-M216 HydrophobicContact CZ-CG 3.73Å; F72-M216 HydrophobicContact CZ-SD 3.68Å; F72-D218 PolarHBondContact O-N 3.11Å; F72-N219 PolarHBondContact N-OD1 3.25Å; F72-N219 PolarHBondContact O-OD1 2.96Å |
| 73 | G | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -95.5 | 162.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R75 R78 P90 R203 D218 | G73-R75 PolarHBondContact O-N 2.99Å; G73-R78 VanDerWaalsContact CA-O 3.29Å; G73-R78 WeakPolarHBondContact CA-O 3.31Å; G73-R78 PolarHBondContact N-O 3.14Å; G73-P90 PolarHBondContact N-O 3.17Å; G73-P90 VanDerWaalsContact N-O 3.11Å; G73-R203 PolarHBondContact O-NE 3.13Å; G73-D218 VanDerWaalsContact CA-OD1 3.29Å; G73-D218 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 74 | S | 96.5 | Very high | 96.7 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -65.9 | -18 | 170 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | R203 D218 | S74-R203 PolarHBondContact O-NE 3.1Å; S74-D218 VanDerWaalsContact CB-OD2 3.3Å; S74-D218 WeakPolarHBondContact CB-OD2 3.16Å; S74-D218 PolarHBondContact N-OD1 3.37Å; S74-D218 VanDerWaalsContact OG-CG 3.24Å; S74-D218 PolarHBondContact OG-OD1 2.9Å; S74-D218 VanDerWaalsContact OG-OD1 3.08Å; S74-D218 PolarHBondContact OG-OD2 2.86Å |
| 75 | R | 95.8 | Very high | 96.7 | Very high | 118 Ų | 118 | 31.2 Ų | 31.2 | 45% | 0.445 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -136.3 | 165.6 | 179.1 | -50.7 | -169.9 | -46.6 | -173.8 | 9 | 110.2 | G73 D77 R78 R203 | G73-R75 PolarHBondContact O-N 2.99Å; R75-D77 VanDerWaalsContact C-N 3.28Å; R75-D77 VanDerWaalsContact CB-OD1 3.28Å; R75-D77 WeakPolarHBondContact CB-OD1 3.47Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact CZ-OD2 3.5Å; R75-D77 IonicContact NE-OD1 3.76Å; R75-D77 PolarHBondContact NE-OD1 3.06Å; R75-D77 IonicContact NE-OD2 3.91Å; R75-D77 VanDerWaalsContact NH2-CG 3.29Å; R75-D77 IonicContact NH2-OD1 3.49Å; R75-D77 PolarHBondContact NH2-OD1 3.25Å; R75-D77 VanDerWaalsContact NH2-OD1 3.12Å; R75-D77 IonicContact NH2-OD2 3.63Å; R75-D77 PolarHBondContact NH2-OD2 3Å; R75-D77 PolarHBondContact O-N 3.06Å; R75-R78 HydrophobicContact CB-CG 4.28Å; R75-R78 VanDerWaalsContact CZ-NH2 3.3Å; R75-R203 PolarHBondContact O-NH2 2.93Å |
| 76 | S | 96.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.7 | -173.6 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | P90 E196 R203 | S76-P90 WeakPolarHBondContact O-CB 3.4Å; S76-E196 VanDerWaalsContact OG-CD 3.26Å; S76-E196 PolarHBondContact OG-OE1 2.84Å; S76-E196 PolarHBondContact OG-OE2 2.93Å; S76-R203 VanDerWaalsContact N-NH2 3.18Å; S76-R203 PolarHBondContact OG-NH2 3.06Å |
| 77 | D | 95.4 | Very high | 96.7 | Very high | 87 Ų | 87 | 31.8 Ų | 31.8 | 47% | 0.465 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.9 | 177.3 | 74.2 | -35.1 | 0 | 0 | 0 | 113.8 | R75 | R75-D77 VanDerWaalsContact C-N 3.28Å; R75-D77 VanDerWaalsContact CB-OD1 3.28Å; R75-D77 WeakPolarHBondContact CB-OD1 3.47Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact CZ-OD2 3.5Å; R75-D77 IonicContact NE-OD1 3.76Å; R75-D77 PolarHBondContact NE-OD1 3.06Å; R75-D77 IonicContact NE-OD2 3.91Å; R75-D77 VanDerWaalsContact NH2-CG 3.29Å; R75-D77 IonicContact NH2-OD1 3.49Å; R75-D77 PolarHBondContact NH2-OD1 3.25Å; R75-D77 VanDerWaalsContact NH2-OD1 3.12Å; R75-D77 IonicContact NH2-OD2 3.63Å; R75-D77 PolarHBondContact NH2-OD2 3Å; R75-D77 PolarHBondContact O-N 3.06Å |
| 78 | R | 96.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 32.5 Ų | 32.5 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | trans | -154.1 | 160.2 | -178.1 | 63.5 | -177.4 | 65 | -170.9 | -5.5 | 110 | G73 R75 F89 P90 Y220 | G73-R78 VanDerWaalsContact CA-O 3.29Å; G73-R78 WeakPolarHBondContact CA-O 3.31Å; G73-R78 PolarHBondContact N-O 3.14Å; R75-R78 HydrophobicContact CB-CG 4.28Å; R75-R78 VanDerWaalsContact CZ-NH2 3.3Å; R78-F89 CarbonylContact C-O 3.6Å; R78-P90 CarbonylContact O-C 3.5Å; R78-P90 WeakPolarHBondContact O-CA 3.34Å; R78-Y220 HydrophobicContact CB-CE1 4.42Å; R78-Y220 HydrophobicContact CG-CE1 4.5Å | ||
| 79 | G | 96.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | 142.7 | -26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K71 F72 F89 P90 | K71-G79 CarbonylContact C-O 3.52Å; F72-G79 PolarHBondContact N-O 3.29Å; G79-F89 CarbonylContact C-O 3.48Å; G79-F89 WeakPolarHBondContact CA-O 3.41Å; G79-F89 PolarHBondContact N-O 3Å; G79-P90 WeakPolarHBondContact CA-O 3.17Å | ||
| 80 | S | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -78 | 146.8 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | H82 F89 | S80-H82 WeakPolarHBondContact CB-O 3.23Å; S80-H82 PolarHBondContact OG-O 3.43Å; S80-F89 PolarHBondContact N-O 2.81Å; S80-F89 PolarHBondContact OG-N 3.18Å | ||
| 81 | D | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -69.2 | -49.9 | 169.2 | -92.9 | 3.9 | 0 | 0 | 0 | 109.2 | P4 E92 Q94 P175 Y220 R221 | P4-D81 VanDerWaalsContact CB-C 3.47Å; P4-D81 HydrophobicContact CB-CB 3.78Å; P4-D81 VanDerWaalsContact CB-O 3.26Å; P4-D81 WeakPolarHBondContact CB-O 3.49Å; P4-D81 VanDerWaalsContact CG-C 3.49Å; P4-D81 HydrophobicContact CG-CB 3.68Å; P4-D81 WeakPolarHBondContact CG-O 3.26Å; D81-E92 WeakPolarHBondContact CB-OE2 3.29Å; D81-E92 PolarHBondContact N-OE2 3.29Å; D81-Q94 PolarHBondContact OD2-NE2 2.82Å; D81-P175 WeakPolarHBondContact OD2-CB 3.35Å; D81-P175 WeakPolarHBondContact OD2-CG 3.45Å; D81-Y220 WeakPolarHBondContact OD1-CA 3.13Å; D81-Y220 WeakPolarHBondContact OD1-CB 3.29Å; D81-R221 PolarHBondContact OD1-N 2.92Å |
| 82 | H | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -79.7 | 152.2 | 178.3 | -66.4 | 89.4 | 0 | 0 | 0 | 111.8 | S80 E92 L122 Y170 W185 L187 | S80-H82 WeakPolarHBondContact CB-O 3.23Å; S80-H82 PolarHBondContact OG-O 3.43Å; H82-E92 IonicContact CE1-OE1 3.25Å; H82-E92 PolarHBondContact CE1-OE1 2.97Å; H82-E92 IonicContact CG-OE1 2.94Å; H82-E92 IonicContact CG-OE2 3.12Å; H82-E92 PolarHBondContact N-OE2 2.88Å; H82-E92 IonicContact ND1-OE1 3.42Å; H82-E92 PolarHBondContact ND1-OE1 3.32Å; H82-E92 IonicContact ND1-OE2 2.85Å; H82-E92 PolarHBondContact ND1-OE2 3.5Å; H82-L122 HydrophobicContact CB-CD2 4.27Å; H82-Y170 AromaticContact NE2-CE1 3.66Å; H82-Y170 AromaticContact NE2-CZ 3.55Å; H82-Y170 PolarHBondContact NE2-OH 3.42Å; H82-W185 AromaticContact CE1-CD2 3.85Å; H82-W185 AromaticContact CE1-CE3 3.46Å; H82-W185 VanDerWaalsContact CE1-CE3 3.46Å; H82-W185 AromaticContact CE1-CH2 3.81Å; H82-W185 AromaticContact CE1-CZ3 3.45Å; H82-W185 VanDerWaalsContact CE1-CZ3 3.45Å; H82-W185 WeakPolarHBondContact CE1-CZ3 3.09Å; H82-L187 HydrophobicContact CB-CD2 3.66Å |
| 83 | R | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 32.1 Ų | 32.1 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150 | 171.4 | -61.1 | -169.2 | -175.8 | -170.5 | -0.6 | 110 | I5 S6 I7 G86 I87 A88 I223 | I5-R83 PolarHBondContact O-N 2.74Å; S6-R83 CarbonylContact C-O 3.46Å; S6-R83 WeakPolarHBondContact CA-O 3.29Å; I7-R83 PolarHBondContact N-O 2.94Å; R83-G86 WeakPolarHBondContact CD-O 3.14Å; R83-I87 CarbonylContact C-O 3.48Å; R83-I87 WeakPolarHBondContact CA-O 3.45Å; R83-I87 VanDerWaalsContact CB-O 3.23Å; R83-I87 WeakPolarHBondContact CB-O 3.41Å; R83-A88 HydrophobicContact CG-CB 4.2Å; R83-I223 HydrophobicContact CG-CG2 3.89Å |
| 84 | I | 96.4 | Very high | 97 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.8 | 172.4 | -53.5 | -58.1 | 0 | 0 | 0 | 107.2 | I7 T9 G86 I87 F89 L122 Y252 | I7-I84 HydrophobicContact CB-CD1 3.97Å; I7-I84 HydrophobicContact CD1-CD1 3.85Å; I7-I84 HydrophobicContact CG1-CD1 4.46Å; I7-I84 HydrophobicContact CG2-CD1 4.42Å; T9-I84 HydrophobicContact CG2-CG2 3.73Å; I84-G86 PolarHBondContact O-N 2.74Å; I84-G86 VanDerWaalsContact O-N 3.12Å; I84-I87 PolarHBondContact N-O 2.99Å; I84-I87 WeakPolarHBondContact O-CB 3.47Å; I84-I87 PolarHBondContact O-N 3.27Å; I84-F89 HydrophobicContact CB-CE2 4.11Å; I84-F89 HydrophobicContact CB-CZ 4.4Å; I84-F89 HydrophobicContact CG1-CE2 3.77Å; I84-F89 HydrophobicContact CG1-CZ 4.12Å; I84-L122 HydrophobicContact CD1-CD1 4.12Å; I84-L122 HydrophobicContact CG1-CD1 3.78Å; I84-Y252 HydrophobicContact CG1-CD1 4.33Å; I84-Y252 HydrophobicContact CG1-CE1 4.27Å; I84-Y252 HydrophobicContact CG2-CG 4.32Å |
| 85 | D | 95.3 | Very high | 97 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 36% | 0.358 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 37.7 | -176.1 | -63.4 | -45 | 0 | 0 | 0 | 113.8 | I7 S8 T9 I87 | I7-D85 PolarHBondContact O-N 3.01Å; S8-D85 WeakPolarHBondContact CA-OD1 3.37Å; T9-D85 WeakPolarHBondContact CB-OD2 3.13Å; T9-D85 WeakPolarHBondContact CG2-OD2 3.07Å; T9-D85 PolarHBondContact N-OD1 3.44Å; T9-D85 VanDerWaalsContact OG1-CG 3.31Å; T9-D85 PolarHBondContact OG1-OD1 2.79Å; T9-D85 PolarHBondContact OG1-OD2 2.75Å; D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 PolarHBondContact O-N 2.96Å |
| 86 | G | 94.7 | Very high | 97.1 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 35% | 0.351 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S6 R83 I84 | S6-G86 WeakPolarHBondContact OG-CA 3.31Å; S6-G86 PolarHBondContact OG-N 3.21Å; S6-G86 VanDerWaalsContact OG-N 3.08Å; R83-G86 WeakPolarHBondContact CD-O 3.14Å; I84-G86 PolarHBondContact O-N 2.74Å; I84-G86 VanDerWaalsContact O-N 3.12Å |
| 87 | I | 96.2 | Very high | 97.1 | Very high | 69 Ų | 69 | 23 Ų | 23 | 35% | 0.354 | 12% | 0.12 | S | C | . | . | B | Isolated β-bridge | trans | -88.1 | 128.9 | -179.4 | -52.7 | -62.9 | 0 | 0 | 0 | 110.4 | R83 I84 D85 A256 | R83-I87 CarbonylContact C-O 3.48Å; R83-I87 WeakPolarHBondContact CA-O 3.45Å; R83-I87 VanDerWaalsContact CB-O 3.23Å; R83-I87 WeakPolarHBondContact CB-O 3.41Å; I84-I87 PolarHBondContact N-O 2.99Å; I84-I87 WeakPolarHBondContact O-CB 3.47Å; I84-I87 PolarHBondContact O-N 3.27Å; D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 PolarHBondContact O-N 2.96Å; I87-A256 HydrophobicContact CB-CB 4.26Å; I87-A256 HydrophobicContact CD1-CB 4.07Å; I87-A256 HydrophobicContact CG1-CB 3.71Å; I87-A256 HydrophobicContact CG2-CB 3.81Å |
| 88 | A | 97 | Very high | 97.2 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 16% | 0.157 | 10% | 0.102 | C | C | . | . | trans | -90.5 | 159.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R83 | R83-A88 HydrophobicContact CG-CB 4.2Š| ||
| 89 | F | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | trans | -111.9 | 155.6 | 178.3 | -68.4 | -97.6 | 0 | 0 | 0 | 109.4 | R78 G79 S80 I84 A91 L122 F123 Y252 A255 | R78-F89 CarbonylContact C-O 3.6Å; G79-F89 CarbonylContact C-O 3.48Å; G79-F89 WeakPolarHBondContact CA-O 3.41Å; G79-F89 PolarHBondContact N-O 3Å; S80-F89 PolarHBondContact N-O 2.81Å; S80-F89 PolarHBondContact OG-N 3.18Å; I84-F89 HydrophobicContact CB-CE2 4.11Å; I84-F89 HydrophobicContact CB-CZ 4.4Å; I84-F89 HydrophobicContact CG1-CE2 3.77Å; I84-F89 HydrophobicContact CG1-CZ 4.12Å; F89-A91 PolarHBondContact O-N 3.19Å; F89-A91 VanDerWaalsContact O-N 3.17Å; F89-L122 HydrophobicContact CB-CB 4.36Å; F89-L122 HydrophobicContact CB-CD2 4.29Å; F89-L122 HydrophobicContact CD1-CB 4.07Å; F89-L122 HydrophobicContact CD2-CB 4.26Å; F89-L122 HydrophobicContact CD2-CD1 3.7Å; F89-L122 HydrophobicContact CD2-CD2 3.93Å; F89-L122 HydrophobicContact CD2-CG 4.18Å; F89-L122 HydrophobicContact CE2-CD1 3.66Å; F89-L122 HydrophobicContact CG-CB 3.94Å; F89-L122 HydrophobicContact CG-CD1 4.23Å; F89-L122 HydrophobicContact CG-CD2 4.18Å; F89-L122 HydrophobicContact CG-CG 4.35Å; F89-L122 HydrophobicContact CZ-CD1 4.1Å; F89-F123 WeakPolarHBondContact CB-O 3.02Å; F89-F123 VanDerWaalsContact CD1-O 3.29Å; F89-F123 WeakPolarHBondContact CD1-O 3.32Å; F89-Y252 AromaticContact CE1-CD1 3.62Å; F89-Y252 HydrophobicContact CE1-CD1 3.62Å; F89-Y252 AromaticContact CE1-CE1 3.75Å; F89-Y252 HydrophobicContact CE1-CE1 3.75Å; F89-Y252 HydrophobicContact CE2-CD1 4.39Å; F89-Y252 HydrophobicContact CE2-CE1 4.46Å; F89-Y252 AromaticContact CZ-CD1 3.29Å; F89-Y252 HydrophobicContact CZ-CD1 3.29Å; F89-Y252 AromaticContact CZ-CE1 3.57Å; F89-Y252 HydrophobicContact CZ-CE1 3.57Å; F89-Y252 HydrophobicContact CZ-CG 4.42Å; F89-A255 HydrophobicContact CE1-CB 4.41Å | ||
| 90 | P | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.052 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -57.7 | -28.4 | -179.3 | 19.5 | -34.4 | 0 | 0 | 0 | 114.5 | G73 S76 R78 G79 F123 I125 L199 | G73-P90 PolarHBondContact N-O 3.17Å; G73-P90 VanDerWaalsContact N-O 3.11Å; S76-P90 WeakPolarHBondContact O-CB 3.4Å; R78-P90 CarbonylContact O-C 3.5Å; R78-P90 WeakPolarHBondContact O-CA 3.34Å; G79-P90 WeakPolarHBondContact CA-O 3.17Å; P90-F123 VanDerWaalsContact CD-O 3.27Å; P90-F123 WeakPolarHBondContact CD-O 3.39Å; P90-F123 HydrophobicContact CG-CB 4.34Å; P90-F123 WeakPolarHBondContact CG-O 3.12Å; P90-I125 HydrophobicContact CB-CD1 4.05Å; P90-I125 HydrophobicContact CG-CD1 3.97Å; P90-I125 HydrophobicContact CG-CG1 4.21Å; P90-L199 HydrophobicContact CB-CD1 3.61Å; P90-L199 HydrophobicContact CB-CD2 4.33Å; P90-L199 HydrophobicContact CG-CD1 4.4Å |
| 91 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K71 F72 F89 F123 L199 | K71-A91 CarbonylContact O-C 3.52Å; K71-A91 WeakPolarHBondContact O-CA 3.23Å; K71-A91 WeakPolarHBondContact O-CB 3.18Å; F72-A91 HydrophobicContact CB-CB 3.89Å; F89-A91 PolarHBondContact O-N 3.19Å; F89-A91 VanDerWaalsContact O-N 3.17Å; A91-F123 VanDerWaalsContact C-CD2 3.43Å; A91-F123 HydrophobicContact CB-CB 3.86Å; A91-F123 HydrophobicContact CB-CD2 3.44Å; A91-F123 VanDerWaalsContact CB-CD2 3.44Å; A91-F123 HydrophobicContact CB-CE2 4.05Å; A91-F123 HydrophobicContact CB-CG 3.79Å; A91-F123 PolarHBondContact O-N 3.23Å; A91-L199 HydrophobicContact CB-CD2 4.13Å |
| 92 | E | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133 | 172.2 | -175.6 | 178.8 | 144 | 0 | 0 | 110.9 | K71 D81 H82 Q94 S120 V121 L122 | K71-E92 HydrophobicContact CB-CB 4.31Å; K71-E92 PolarHBondContact N-O 3.49Å; K71-E92 PolarHBondContact O-N 2.83Å; D81-E92 WeakPolarHBondContact CB-OE2 3.29Å; D81-E92 PolarHBondContact N-OE2 3.29Å; H82-E92 IonicContact CE1-OE1 3.25Å; H82-E92 PolarHBondContact CE1-OE1 2.97Å; H82-E92 IonicContact CG-OE1 2.94Å; H82-E92 IonicContact CG-OE2 3.12Å; H82-E92 PolarHBondContact N-OE2 2.88Å; H82-E92 IonicContact ND1-OE1 3.42Å; H82-E92 PolarHBondContact ND1-OE1 3.32Å; H82-E92 IonicContact ND1-OE2 2.85Å; H82-E92 PolarHBondContact ND1-OE2 3.5Å; E92-Q94 HydrophobicContact CG-CG 3.99Å; E92-Q94 WeakPolarHBondContact OE1-CG 3.41Å; E92-Q94 PolarHBondContact OE1-NE2 3.42Å; E92-S120 WeakPolarHBondContact CG-OG 3.32Å; E92-S120 PolarHBondContact OE1-OG 2.99Å; E92-V121 WeakPolarHBondContact CA-O 3.34Å; E92-L122 HydrophobicContact CB-CD2 4.33Å; E92-L122 HydrophobicContact CG-CD2 4.12Å |
| 93 | L | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.6 | 172.1 | 172.2 | 64.7 | 0 | 0 | 0 | 108.3 | A68 I70 L95 S120 V121 F123 V160 L161 I192 | A68-L93 HydrophobicContact CB-CD1 3.86Å; I70-L93 HydrophobicContact CD1-CD1 4.47Å; I70-L93 HydrophobicContact CG1-CD1 3.76Å; L93-L95 HydrophobicContact CD1-CD1 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.57Å; L93-S120 WeakPolarHBondContact O-CA 3.37Å; L93-V121 HydrophobicContact CB-CB 4.39Å; L93-V121 PolarHBondContact N-O 2.98Å; L93-V121 PolarHBondContact O-N 2.97Å; L93-F123 HydrophobicContact CB-CE2 3.58Å; L93-F123 HydrophobicContact CB-CZ 3.98Å; L93-V160 HydrophobicContact CD2-CG1 3.75Å; L93-L161 HydrophobicContact CD2-CD2 4.49Å; L93-I192 HydrophobicContact CB-CD1 4.49Å; L93-I192 HydrophobicContact CD2-CD1 4.23Å |
| 94 | Q | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 110.5 | -177.3 | -62.7 | 176.7 | -18.7 | 0 | 0 | 109.8 | A68 L69 D81 E92 Y96 V118 L119 W185 | A68-Q94 CarbonylContact C-O 3.5Å; A68-Q94 WeakPolarHBondContact CA-O 3.41Å; A68-Q94 WeakPolarHBondContact CB-O 3.27Å; L69-Q94 PolarHBondContact N-O 3.01Å; L69-Q94 PolarHBondContact O-N 2.64Å; D81-Q94 PolarHBondContact OD2-NE2 2.82Å; E92-Q94 HydrophobicContact CG-CG 3.99Å; E92-Q94 WeakPolarHBondContact OE1-CG 3.41Å; E92-Q94 PolarHBondContact OE1-NE2 3.42Å; Q94-Y96 HydrophobicContact CB-CD2 4.43Å; Q94-Y96 HydrophobicContact CB-CE2 3.57Å; Q94-Y96 WeakPolarHBondContact O-CD2 3.46Å; Q94-Y96 WeakPolarHBondContact O-CE2 3.1Å; Q94-Y96 PolarHBondContact OE1-OH 3.29Å; Q94-V118 HydrophobicContact CB-CG1 4.43Å; Q94-L119 CarbonylContact C-O 3.42Å; Q94-L119 WeakPolarHBondContact CA-O 3.38Å; Q94-W185 HydrophobicContact CG-CH2 4.36Å; Q94-W185 HydrophobicContact CG-CZ3 4.23Å |
| 95 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.1 | 176.4 | -72.7 | 73.3 | 0 | 0 | 0 | 109.3 | F54 F65 A68 L93 V118 L119 L157 L161 | F54-L95 HydrophobicContact CE2-CB 4.35Å; F54-L95 HydrophobicContact CZ-CB 4.03Å; F54-L95 HydrophobicContact CZ-CD2 4.16Å; F65-L95 HydrophobicContact CD2-CB 4.2Å; F65-L95 HydrophobicContact CD2-CD2 4.34Å; F65-L95 HydrophobicContact CE2-CB 3.72Å; F65-L95 HydrophobicContact CE2-CD2 3.82Å; F65-L95 HydrophobicContact CE2-CG 3.75Å; F65-L95 HydrophobicContact CZ-CD2 4.35Å; F65-L95 HydrophobicContact CZ-CG 4.4Å; A68-L95 HydrophobicContact CB-CD1 4.45Å; A68-L95 HydrophobicContact CB-CG 4.13Å; L93-L95 HydrophobicContact CD1-CD1 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.57Å; L95-V118 WeakPolarHBondContact O-CA 3.23Å; L95-L119 HydrophobicContact CB-CB 4.2Å; L95-L119 HydrophobicContact CD2-CD2 4.47Å; L95-L119 PolarHBondContact N-O 3.31Å; L95-L119 PolarHBondContact O-N 3.03Å; L95-L157 HydrophobicContact CD2-CD1 4.36Å; L95-L157 HydrophobicContact CD2-CD2 4.2Å; L95-L161 HydrophobicContact CD1-CD2 3.98Å; L95-L161 HydrophobicContact CD2-CD1 4.1Å; L95-L161 HydrophobicContact CD2-CD2 4.16Å |
| 96 | Y | 97.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.9 | -178.5 | -66.6 | -93.4 | 0 | 0 | 0 | 110 | F66 G67 L69 Q94 F106 V118 L174 F176 | F66-Y96 WeakPolarHBondContact CB-O 3.44Å; F66-Y96 PolarHBondContact N-O 2.86Å; G67-Y96 PolarHBondContact N-O 2.98Å; G67-Y96 PolarHBondContact O-N 3.14Å; L69-Y96 HydrophobicContact CB-CE2 4.01Å; L69-Y96 HydrophobicContact CD1-CE2 3.72Å; L69-Y96 HydrophobicContact CG-CD2 4.31Å; L69-Y96 HydrophobicContact CG-CE2 3.71Å; Q94-Y96 HydrophobicContact CB-CD2 4.43Å; Q94-Y96 HydrophobicContact CB-CE2 3.57Å; Q94-Y96 WeakPolarHBondContact O-CD2 3.46Å; Q94-Y96 WeakPolarHBondContact O-CE2 3.1Å; Q94-Y96 PolarHBondContact OE1-OH 3.29Å; Y96-F106 HydrophobicContact CD1-CZ 4.47Å; Y96-V118 HydrophobicContact CD1-CG1 4.02Å; Y96-V118 HydrophobicContact CD1-CG2 3.78Å; Y96-V118 HydrophobicContact CE1-CG1 3.81Å; Y96-V118 HydrophobicContact CE1-CG2 3.9Å; Y96-V118 HydrophobicContact CE2-CG1 4.47Å; Y96-V118 HydrophobicContact CG-CG1 4.44Å; Y96-L174 HydrophobicContact CD1-CD2 4.11Å; Y96-L174 HydrophobicContact CE1-CD2 3.66Å; Y96-F176 AromaticContact CE1-CE1 3.74Å; Y96-F176 HydrophobicContact CE1-CE1 3.74Å; Y96-F176 HydrophobicContact CE1-CZ 4.07Å; Y96-F176 AromaticContact CZ-CE1 3.66Å; Y96-F176 WeakPolarHBondContact OH-CE1 3.42Å |
| 97 | A | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F54 K64 L116 A117 | F54-A97 HydrophobicContact CD2-CB 3.49Å; F54-A97 VanDerWaalsContact CD2-CB 3.49Å; F54-A97 HydrophobicContact CE2-CB 3.61Å; F54-A97 HydrophobicContact CG-CB 4.16Å; F54-A97 HydrophobicContact CZ-CB 4.36Å; K64-A97 CarbonylContact O-C 3.44Å; K64-A97 WeakPolarHBondContact O-CA 3.22Å; K64-A97 WeakPolarHBondContact O-CB 3.43Å; A97-L116 WeakPolarHBondContact O-CA 3.27Å; A97-A117 PolarHBondContact N-O 2.8Å; A97-A117 PolarHBondContact O-N 3.48Å |
| 98 | F | 97 | Very high | 96.7 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 9% | 0.088 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.6 | 179.6 | 73.3 | -76.5 | 0 | 0 | 0 | 112.4 | Y63 K64 F66 F100 F106 A109 G115 L116 | Y63-F98 CarbonylContact C-O 3.59Å; Y63-F98 WeakPolarHBondContact CA-O 3.21Å; Y63-F98 VanDerWaalsContact CD1-C 3.41Å; K64-F98 HydrophobicContact CB-CD1 4.48Å; K64-F98 HydrophobicContact CB-CE1 4Å; K64-F98 HydrophobicContact CB-CZ 4.35Å; K64-F98 HydrophobicContact CG-CE1 4.43Å; K64-F98 PolarHBondContact N-O 3.48Å; K64-F98 WeakPolarHBondContact O-CD1 3.42Å; K64-F98 PolarHBondContact O-N 3.32Å; F66-F98 HydrophobicContact CB-CD1 4.31Å; F98-F100 HydrophobicContact CD2-CB 4.28Å; F98-F100 HydrophobicContact CE2-CB 3.66Å; F98-F100 HydrophobicContact CZ-CB 4Å; F98-F100 PolarHBondContact O-N 3.08Å; F98-F106 HydrophobicContact CB-CB 4.42Å; F98-F106 HydrophobicContact CB-CD2 3.8Å; F98-F106 HydrophobicContact CD1-CB 4Å; F98-F106 HydrophobicContact CD1-CD2 4.09Å; F98-F106 HydrophobicContact CG-CB 4.17Å; F98-F106 HydrophobicContact CG-CD2 4.26Å; F98-A109 HydrophobicContact CB-CB 3.78Å; F98-A109 HydrophobicContact CD2-CB 4.34Å; F98-G115 CarbonylContact C-O 3.6Å; F98-G115 WeakPolarHBondContact CA-O 3.38Å; F98-L116 HydrophobicContact CB-CD2 3.96Å |
| 99 | N | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 92.8 | 176.7 | -171.1 | -27.1 | 0 | 0 | 0 | 110.2 | Y61 Y63 I101 L102 Y103 N114 G115 | Y61-N99 WeakPolarHBondContact CB-ND2 3.08Å; Y61-N99 VanDerWaalsContact CD2-ND2 3.31Å; Y61-N99 WeakPolarHBondContact CD2-ND2 3.4Å; Y63-N99 HydrophobicContact CD1-CB 3.95Å; Y63-N99 VanDerWaalsContact CD1-N 3.26Å; Y63-N99 HydrophobicContact CE1-CB 3.56Å; N99-I101 PolarHBondContact O-N 3.13Å; N99-I101 WeakPolarHBondContact OD1-CB 3.22Å; N99-I101 PolarHBondContact OD1-N 3.12Å; N99-I101 VanDerWaalsContact OD1-N 3.16Å; N99-L102 VanDerWaalsContact ND2-CD1 3.32Å; N99-L102 WeakPolarHBondContact ND2-CD1 3.28Å; N99-L102 WeakPolarHBondContact ND2-CG 3.03Å; N99-L102 PolarHBondContact O-N 2.61Å; N99-L102 PolarHBondContact OD1-N 3.03Å; N99-Y103 HydrophobicContact CB-CD2 4.04Å; N99-Y103 HydrophobicContact CB-CE2 4.31Å; N99-Y103 PolarHBondContact O-N 3.27Å; N99-N114 VanDerWaalsContact CB-O 3.27Å; N99-N114 WeakPolarHBondContact CB-O 3.16Å; N99-N114 PolarHBondContact ND2-O 2.79Å; N99-G115 PolarHBondContact N-O 2.85Å |
| 100 | F | 95.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 37.9 Ų | 37.9 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.3 | -179.1 | 75.2 | -82.1 | 0 | 0 | 0 | 113.2 | V53 N62 K64 F98 Y103 | V53-F100 HydrophobicContact CG1-CE1 4.21Å; N62-F100 HydrophobicContact CB-CE1 3.63Å; N62-F100 HydrophobicContact CB-CZ 4.09Å; N62-F100 WeakPolarHBondContact O-CD1 3.43Å; N62-F100 WeakPolarHBondContact O-CE1 3.36Å; K64-F100 HydrophobicContact CB-CB 4.11Å; K64-F100 HydrophobicContact CB-CD1 3.75Å; K64-F100 HydrophobicContact CB-CE1 4.46Å; K64-F100 HydrophobicContact CB-CG 4.09Å; F98-F100 HydrophobicContact CD2-CB 4.28Å; F98-F100 HydrophobicContact CE2-CB 3.66Å; F98-F100 HydrophobicContact CZ-CB 4Å; F98-F100 PolarHBondContact O-N 3.08Å; F100-Y103 WeakPolarHBondContact CA-O 3.43Å |
| 101 | I | 95.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -40.3 | 174.1 | -54.1 | -60.6 | 0 | 0 | 0 | 110.1 | N99 | N99-I101 PolarHBondContact O-N 3.13Å; N99-I101 WeakPolarHBondContact OD1-CB 3.22Å; N99-I101 PolarHBondContact OD1-N 3.12Å; N99-I101 VanDerWaalsContact OD1-N 3.16Å |
| 102 | L | 97.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 45.1 Ų | 45.1 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -27 | -178.1 | -61 | -174.8 | 0 | 0 | 0 | 113.5 | Y61 N99 | Y61-L102 HydrophobicContact CD1-CG 4.48Å; Y61-L102 HydrophobicContact CE1-CD1 4.18Å; Y61-L102 HydrophobicContact CE1-CD2 4.16Å; Y61-L102 HydrophobicContact CE1-CG 4.26Å; Y61-L102 HydrophobicContact CE2-CD1 4.13Å; N99-L102 VanDerWaalsContact ND2-CD1 3.32Å; N99-L102 WeakPolarHBondContact ND2-CD1 3.28Å; N99-L102 WeakPolarHBondContact ND2-CG 3.03Å; N99-L102 PolarHBondContact O-N 2.61Å; N99-L102 PolarHBondContact OD1-N 3.03Å |
| 103 | Y | 97 | Very high | 96.2 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | trans | -131.3 | 138.5 | -170.8 | -52 | -61 | 0 | 0 | 0 | 112.1 | N99 F100 N105 A109 K112 P113 | N99-Y103 HydrophobicContact CB-CD2 4.04Å; N99-Y103 HydrophobicContact CB-CE2 4.31Å; N99-Y103 PolarHBondContact O-N 3.27Å; F100-Y103 WeakPolarHBondContact CA-O 3.43Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 2.9Å; Y103-A109 HydrophobicContact CD2-CB 3.6Å; Y103-A109 HydrophobicContact CE2-CB 4.49Å; Y103-A109 HydrophobicContact CG-CB 3.93Å; Y103-K112 HydrophobicContact CD1-CB 4.29Å; Y103-K112 HydrophobicContact CD1-CG 4.38Å; Y103-K112 HydrophobicContact CE1-CB 3.51Å; Y103-K112 HydrophobicContact CE1-CG 3.86Å; Y103-K112 HydrophobicContact CE2-CB 3.99Å; Y103-K112 WeakPolarHBondContact OH-CB 3.39Å; Y103-P113 PolarHBondContact OH-O 2.94Å | ||
| 104 | Q | 94.9 | Very high | 96.1 | Very high | 176 Ų | 176 | 52.3 Ų | 52.3 | 82% | 0.822 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63.5 | -31.4 | -177.1 | -66.5 | 175.4 | 1 | 0 | 0 | 113.6 | ||
| 105 | N | 93.7 | Very high | 96.1 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -157.3 | 167.3 | -176.9 | 58.8 | 58.1 | 0 | 0 | 0 | 111.2 | Y103 S107 N108 A109 | Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 2.9Å; N105-S107 VanDerWaalsContact C-N 3.3Å; N105-S107 PolarHBondContact O-N 3.45Å; N105-S107 WeakPolarHBondContact OD1-CB 3.31Å; N105-S107 PolarHBondContact OD1-N 3.06Å; N105-N108 PolarHBondContact O-N 3Å; N105-N108 PolarHBondContact OD1-N 2.66Å; N105-A109 PolarHBondContact O-N 2.76Å; N105-A109 VanDerWaalsContact O-N 3.16Å |
| 106 | F | 93.5 | Very high | 96.1 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.9 | -43.2 | 178.8 | -173.4 | -93.5 | 0 | 0 | 0 | 112.6 | F66 Y96 F98 N108 A109 L110 L116 | F66-F106 HydrophobicContact CB-CD2 3.56Å; F66-F106 HydrophobicContact CB-CE2 4.05Å; F66-F106 HydrophobicContact CB-CG 4.21Å; F66-F106 HydrophobicContact CD1-CB 4.29Å; F66-F106 AromaticContact CD1-CD1 3.78Å; F66-F106 HydrophobicContact CD1-CD1 3.78Å; F66-F106 AromaticContact CD1-CD2 3.52Å; F66-F106 HydrophobicContact CD1-CD2 3.52Å; F66-F106 AromaticContact CD1-CE1 3.89Å; F66-F106 HydrophobicContact CD1-CE1 3.89Å; F66-F106 AromaticContact CD1-CE2 3.7Å; F66-F106 HydrophobicContact CD1-CE2 3.7Å; F66-F106 AromaticContact CD1-CG 3.59Å; F66-F106 HydrophobicContact CD1-CG 3.59Å; F66-F106 AromaticContact CD1-CZ 3.88Å; F66-F106 HydrophobicContact CD1-CZ 3.88Å; F66-F106 HydrophobicContact CD2-CB 3.53Å; F66-F106 HydrophobicContact CD2-CD1 4.46Å; F66-F106 HydrophobicContact CD2-CD2 4.03Å; F66-F106 AromaticContact CD2-CG 3.77Å; F66-F106 HydrophobicContact CD2-CG 3.77Å; F66-F106 HydrophobicContact CE1-CB 4.41Å; F66-F106 AromaticContact CE1-CD1 3.58Å; F66-F106 HydrophobicContact CE1-CD1 3.58Å; F66-F106 HydrophobicContact CE1-CD2 4.2Å; F66-F106 AromaticContact CE1-CE1 3.79Å; F66-F106 HydrophobicContact CE1-CE1 3.79Å; F66-F106 HydrophobicContact CE1-CE2 4.43Å; F66-F106 AromaticContact CE1-CG 3.81Å; F66-F106 HydrophobicContact CE1-CG 3.81Å; F66-F106 HydrophobicContact CE1-CZ 4.24Å; F66-F106 HydrophobicContact CE2-CB 3.67Å; F66-F106 HydrophobicContact CE2-CD1 4.3Å; F66-F106 AromaticContact CE2-CG 3.99Å; F66-F106 HydrophobicContact CE2-CG 3.99Å; F66-F106 HydrophobicContact CG-CB 3.86Å; F66-F106 HydrophobicContact CG-CD1 4.21Å; F66-F106 AromaticContact CG-CD2 3.41Å; F66-F106 HydrophobicContact CG-CD2 3.41Å; F66-F106 VanDerWaalsContact CG-CD2 3.41Å; F66-F106 AromaticContact CG-CE2 4Å; F66-F106 HydrophobicContact CG-CE2 4Å; F66-F106 AromaticContact CG-CG 3.57Å; F66-F106 HydrophobicContact CG-CG 3.57Å; F66-F106 HydrophobicContact CZ-CB 4.12Å; F66-F106 AromaticContact CZ-CD1 3.87Å; F66-F106 HydrophobicContact CZ-CD1 3.87Å; F66-F106 HydrophobicContact CZ-CE1 4.49Å; F66-F106 HydrophobicContact CZ-CG 4Å; Y96-F106 HydrophobicContact CD1-CZ 4.47Å; F98-F106 HydrophobicContact CB-CB 4.42Å; F98-F106 HydrophobicContact CB-CD2 3.8Å; F98-F106 HydrophobicContact CD1-CB 4Å; F98-F106 HydrophobicContact CD1-CD2 4.09Å; F98-F106 HydrophobicContact CG-CB 4.17Å; F98-F106 HydrophobicContact CG-CD2 4.26Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.34Å; F106-A109 WeakPolarHBondContact O-CB 3.44Å; F106-A109 PolarHBondContact O-N 3.37Å; F106-A109 VanDerWaalsContact O-N 3.09Å; F106-L110 HydrophobicContact CD1-CD1 4.48Å; F106-L110 HydrophobicContact CD1-CD2 4.16Å; F106-L110 HydrophobicContact CD1-CG 4.14Å; F106-L110 HydrophobicContact CE1-CD1 4.4Å; F106-L110 HydrophobicContact CE1-CD2 3.49Å; F106-L110 VanDerWaalsContact CE1-CD2 3.49Å; F106-L110 HydrophobicContact CE1-CG 3.97Å; F106-L110 HydrophobicContact CZ-CD2 3.92Å; F106-L110 WeakPolarHBondContact O-CG 3.28Å; F106-L110 PolarHBondContact O-N 2.81Å; F106-L116 HydrophobicContact CD2-CD2 4.01Å; F106-L116 HydrophobicContact CE2-CD2 3.57Å; F106-L116 HydrophobicContact CZ-CD2 4.1Å |
| 107 | S | 94.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 52 Ų | 52 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | -178.8 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | N105 A109 | N105-S107 VanDerWaalsContact C-N 3.3Å; N105-S107 PolarHBondContact O-N 3.45Å; N105-S107 WeakPolarHBondContact OD1-CB 3.31Å; N105-S107 PolarHBondContact OD1-N 3.06Å; S107-A109 VanDerWaalsContact C-N 3.34Å |
| 108 | N | 96 | Very high | 96.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.9 | -33 | 176.8 | -74.4 | -9.5 | 0 | 0 | 0 | 112 | N105 F106 K112 | N105-N108 PolarHBondContact O-N 3Å; N105-N108 PolarHBondContact OD1-N 2.66Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.34Å; N108-K112 WeakPolarHBondContact O-CG 3.43Å |
| 109 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.2 | -29.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F98 Y103 N105 F106 S107 S111 K112 G115 L116 | F98-A109 HydrophobicContact CB-CB 3.78Å; F98-A109 HydrophobicContact CD2-CB 4.34Å; Y103-A109 HydrophobicContact CD2-CB 3.6Å; Y103-A109 HydrophobicContact CE2-CB 4.49Å; Y103-A109 HydrophobicContact CG-CB 3.93Å; N105-A109 PolarHBondContact O-N 2.76Å; N105-A109 VanDerWaalsContact O-N 3.16Å; F106-A109 WeakPolarHBondContact O-CB 3.44Å; F106-A109 PolarHBondContact O-N 3.37Å; F106-A109 VanDerWaalsContact O-N 3.09Å; S107-A109 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3Å; A109-K112 PolarHBondContact O-N 2.97Å; A109-K112 VanDerWaalsContact O-N 3.12Å; A109-G115 WeakPolarHBondContact O-CA 3.2Å; A109-L116 HydrophobicContact CB-CD2 4.28Å |
| 110 | L | 95.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | -45 | -175.4 | -80.4 | 171.9 | 0 | 0 | 0 | 114 | F106 L116 L174 Y180 T182 | F106-L110 HydrophobicContact CD1-CD1 4.48Å; F106-L110 HydrophobicContact CD1-CD2 4.16Å; F106-L110 HydrophobicContact CD1-CG 4.14Å; F106-L110 HydrophobicContact CE1-CD1 4.4Å; F106-L110 HydrophobicContact CE1-CD2 3.49Å; F106-L110 VanDerWaalsContact CE1-CD2 3.49Å; F106-L110 HydrophobicContact CE1-CG 3.97Å; F106-L110 HydrophobicContact CZ-CD2 3.92Å; F106-L110 WeakPolarHBondContact O-CG 3.28Å; F106-L110 PolarHBondContact O-N 2.81Å; L110-L116 HydrophobicContact CD2-CD1 4.18Å; L110-L174 HydrophobicContact CD2-CD1 3.49Å; L110-L174 VanDerWaalsContact CD2-CD1 3.49Å; L110-Y180 HydrophobicContact CB-CD2 4.14Å; L110-Y180 HydrophobicContact CB-CE2 4.36Å; L110-Y180 WeakPolarHBondContact O-CB 3.42Å; L110-T182 WeakPolarHBondContact O-CG2 3.06Å; L110-T182 PolarHBondContact O-OG1 3.04Å |
| 111 | S | 94.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 10.4 | -171.6 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | A109 | A109-S111 PolarHBondContact O-N 3Š|
| 112 | K | 96.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 45% | 0.452 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -115.3 | 149.2 | -173.1 | -58.3 | -64.6 | -177.9 | -178.7 | 0 | 112.7 | Y103 N108 A109 G115 T182 | Y103-K112 HydrophobicContact CD1-CB 4.29Å; Y103-K112 HydrophobicContact CD1-CG 4.38Å; Y103-K112 HydrophobicContact CE1-CB 3.51Å; Y103-K112 HydrophobicContact CE1-CG 3.86Å; Y103-K112 HydrophobicContact CE2-CB 3.99Å; Y103-K112 WeakPolarHBondContact OH-CB 3.39Å; N108-K112 WeakPolarHBondContact O-CG 3.43Å; A109-K112 PolarHBondContact O-N 2.97Å; A109-K112 VanDerWaalsContact O-N 3.12Å; K112-G115 WeakPolarHBondContact O-CA 3.46Å; K112-G115 PolarHBondContact O-N 3.04Å; K112-T182 VanDerWaalsContact O-CB 3.29Å; K112-T182 WeakPolarHBondContact O-CB 3.33Å; K112-T182 WeakPolarHBondContact O-CG2 3.45Å |
| 113 | P | 95.2 | Very high | 96.6 | Very high | 90 Ų | 90 | 39 Ų | 39 | 58% | 0.584 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 143.4 | -179.4 | -25.5 | 34.6 | 0 | 0 | 0 | 112.8 | Y103 G115 | Y103-P113 PolarHBondContact OH-O 2.94Å; P113-G115 PolarHBondContact O-N 3.49Å |
| 114 | N | 95.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 22.6 | -175.4 | -53.7 | -51.3 | 0 | 0 | 0 | 113.3 | Y61 Y63 N99 | Y61-N114 HydrophobicContact CD2-CB 4.29Å; Y61-N114 HydrophobicContact CE2-CB 4.18Å; Y63-N114 VanDerWaalsContact CE1-O 3.27Å; Y63-N114 WeakPolarHBondContact CE1-O 3.45Å; Y63-N114 PolarHBondContact OH-O 2.88Å; N99-N114 VanDerWaalsContact CB-O 3.27Å; N99-N114 WeakPolarHBondContact CB-O 3.16Å; N99-N114 PolarHBondContact ND2-O 2.79Å |
| 115 | G | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -65.4 | -40.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F98 N99 A109 K112 P113 T182 | F98-G115 CarbonylContact C-O 3.6Å; F98-G115 WeakPolarHBondContact CA-O 3.38Å; N99-G115 PolarHBondContact N-O 2.85Å; A109-G115 WeakPolarHBondContact O-CA 3.2Å; K112-G115 WeakPolarHBondContact O-CA 3.46Å; K112-G115 PolarHBondContact O-N 3.04Å; P113-G115 PolarHBondContact O-N 3.49Å; G115-T182 PolarHBondContact N-O 3.41Å | ||
| 116 | L | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145 | -167.9 | -55.5 | 177.1 | 0 | 0 | 0 | 113.2 | Y63 A97 F98 F106 A109 L110 L174 T182 A183 T184 | Y63-L116 VanDerWaalsContact CE1-C 3.44Å; A97-L116 WeakPolarHBondContact O-CA 3.27Å; F98-L116 HydrophobicContact CB-CD2 3.96Å; F106-L116 HydrophobicContact CD2-CD2 4.01Å; F106-L116 HydrophobicContact CE2-CD2 3.57Å; F106-L116 HydrophobicContact CZ-CD2 4.1Å; A109-L116 HydrophobicContact CB-CD2 4.28Å; L110-L116 HydrophobicContact CD2-CD1 4.18Å; L116-L174 HydrophobicContact CD1-CD1 3.95Å; L116-L174 HydrophobicContact CD1-CD2 3.59Å; L116-L174 HydrophobicContact CD1-CG 3.94Å; L116-T182 PolarHBondContact N-O 2.76Å; L116-T182 VanDerWaalsContact N-O 3.09Å; L116-A183 HydrophobicContact CB-CB 4.33Å; L116-A183 WeakPolarHBondContact O-CA 3.05Å; L116-T184 PolarHBondContact O-N 3.24Å |
| 117 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | F54 L59 Y63 A97 T184 | F54-A117 HydrophobicContact CD2-CB 4.48Å; L59-A117 HydrophobicContact CD1-CB 4.12Å; L59-A117 HydrophobicContact CD2-CB 3.63Å; Y63-A117 HydrophobicContact CD1-CB 3.57Å; Y63-A117 HydrophobicContact CD2-CB 3.97Å; Y63-A117 HydrophobicContact CE1-CB 4.04Å; Y63-A117 HydrophobicContact CE2-CB 4.41Å; Y63-A117 HydrophobicContact CG-CB 3.56Å; A97-A117 PolarHBondContact N-O 2.8Å; A97-A117 PolarHBondContact O-N 3.48Å; A117-T184 WeakPolarHBondContact CA-O 3.26Å |
| 118 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 112.8 | -178.6 | -167.6 | 0 | 0 | 0 | 0 | 109 | Q94 L95 Y96 A183 T184 W185 I186 | Q94-V118 HydrophobicContact CB-CG1 4.43Å; L95-V118 WeakPolarHBondContact O-CA 3.23Å; Y96-V118 HydrophobicContact CD1-CG1 4.02Å; Y96-V118 HydrophobicContact CD1-CG2 3.78Å; Y96-V118 HydrophobicContact CE1-CG1 3.81Å; Y96-V118 HydrophobicContact CE1-CG2 3.9Å; Y96-V118 HydrophobicContact CE2-CG1 4.47Å; Y96-V118 HydrophobicContact CG-CG1 4.44Å; V118-A183 HydrophobicContact CG2-CB 3.98Å; V118-T184 PolarHBondContact N-O 3.35Å; V118-W185 HydrophobicContact CB-CD2 4.04Å; V118-W185 HydrophobicContact CB-CE3 3.75Å; V118-W185 HydrophobicContact CB-CH2 4.31Å; V118-W185 HydrophobicContact CB-CZ3 3.88Å; V118-W185 HydrophobicContact CG1-CD2 4.33Å; V118-W185 HydrophobicContact CG1-CE3 3.65Å; V118-W185 HydrophobicContact CG1-CH2 3.65Å; V118-W185 HydrophobicContact CG1-CZ2 4.31Å; V118-W185 HydrophobicContact CG1-CZ3 3.25Å; V118-W185 CarbonylContact O-C 3.45Å; V118-W185 WeakPolarHBondContact O-CA 3.22Å; V118-I186 PolarHBondContact O-N 3.03Å |
| 119 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.3 | 173.3 | -176.4 | 69.9 | 0 | 0 | 0 | 108.5 | L21 I23 F54 Q94 L95 L161 I186 L188 | L21-L119 HydrophobicContact CD2-CD1 3.63Å; L21-L119 HydrophobicContact CD2-CD2 4.5Å; I23-L119 HydrophobicContact CD1-CD2 3.7Å; F54-L119 HydrophobicContact CE2-CB 4.05Å; Q94-L119 CarbonylContact C-O 3.42Å; Q94-L119 WeakPolarHBondContact CA-O 3.38Å; L95-L119 HydrophobicContact CB-CB 4.2Å; L95-L119 HydrophobicContact CD2-CD2 4.47Å; L95-L119 PolarHBondContact N-O 3.31Å; L95-L119 PolarHBondContact O-N 3.03Å; L119-L161 HydrophobicContact CD2-CD1 4.02Å; L119-L161 HydrophobicContact CD2-CD2 4.13Å; L119-I186 CarbonylContact C-O 3.54Å; L119-I186 WeakPolarHBondContact CA-O 3.4Å; L119-I186 HydrophobicContact CD1-CB 4Å; L119-I186 HydrophobicContact CD1-CG2 3.83Å; L119-L188 HydrophobicContact CD1-CD1 4.09Å; L119-L188 HydrophobicContact CD1-CD2 3.62Å; L119-L188 HydrophobicContact CD1-CG 3.62Å; L119-L188 HydrophobicContact CD2-CD1 4.29Å; L119-L188 HydrophobicContact CG-CD1 4.41Å; L119-L188 HydrophobicContact CG-CG 4.32Å |
| 120 | S | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.2 | -179.3 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | E92 L93 I186 L187 L188 | E92-S120 WeakPolarHBondContact CG-OG 3.32Å; E92-S120 PolarHBondContact OE1-OG 2.99Å; L93-S120 WeakPolarHBondContact O-CA 3.37Å; S120-I186 PolarHBondContact N-O 3.05Å; S120-L187 WeakPolarHBondContact O-CA 3.37Å; S120-L188 PolarHBondContact O-N 3.48Å |
| 121 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.9 | 179.7 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | E92 L93 L161 P162 L188 I192 | E92-V121 WeakPolarHBondContact CA-O 3.34Å; L93-V121 HydrophobicContact CB-CB 4.39Å; L93-V121 PolarHBondContact N-O 2.98Å; L93-V121 PolarHBondContact O-N 2.97Å; V121-L161 HydrophobicContact CG2-CD2 3.78Å; V121-P162 HydrophobicContact CG1-CG 3.74Å; V121-L188 HydrophobicContact CG2-CD1 3.91Å; V121-L188 HydrophobicContact CG2-CG 4.32Å; V121-I192 HydrophobicContact CB-CD1 4.46Å; V121-I192 HydrophobicContact CG1-CB 4.29Å; V121-I192 HydrophobicContact CG1-CD1 3.89Å; V121-I192 HydrophobicContact CG1-CG1 3.79Å; V121-I192 HydrophobicContact CG1-CG2 3.71Å |
| 122 | L | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 144.5 | 178.5 | -62.7 | 170.2 | 0 | 0 | 0 | 110.1 | H82 I84 F89 E92 P191 I192 Y252 | H82-L122 HydrophobicContact CB-CD2 4.27Å; I84-L122 HydrophobicContact CD1-CD1 4.12Å; I84-L122 HydrophobicContact CG1-CD1 3.78Å; F89-L122 HydrophobicContact CB-CB 4.36Å; F89-L122 HydrophobicContact CB-CD2 4.29Å; F89-L122 HydrophobicContact CD1-CB 4.07Å; F89-L122 HydrophobicContact CD2-CB 4.26Å; F89-L122 HydrophobicContact CD2-CD1 3.7Å; F89-L122 HydrophobicContact CD2-CD2 3.93Å; F89-L122 HydrophobicContact CD2-CG 4.18Å; F89-L122 HydrophobicContact CE2-CD1 3.66Å; F89-L122 HydrophobicContact CG-CB 3.94Å; F89-L122 HydrophobicContact CG-CD1 4.23Å; F89-L122 HydrophobicContact CG-CD2 4.18Å; F89-L122 HydrophobicContact CG-CG 4.35Å; F89-L122 HydrophobicContact CZ-CD1 4.1Å; E92-L122 HydrophobicContact CB-CD2 4.33Å; E92-L122 HydrophobicContact CG-CD2 4.12Å; L122-P191 HydrophobicContact CB-CB 4.46Å; L122-P191 CarbonylContact O-C 3.55Å; L122-P191 WeakPolarHBondContact O-CA 3.39Å; L122-P191 VanDerWaalsContact O-CB 3.23Å; L122-P191 WeakPolarHBondContact O-CB 3.46Å; L122-I192 PolarHBondContact O-N 3.25Å; L122-Y252 HydrophobicContact CD1-CE1 4.05Å |
| 123 | F | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.7 | 173.5 | -73 | -95 | 0 | 0 | 0 | 111.5 | F89 P90 A91 L93 L133 I192 I194 | F89-F123 WeakPolarHBondContact CB-O 3.02Å; F89-F123 VanDerWaalsContact CD1-O 3.29Å; F89-F123 WeakPolarHBondContact CD1-O 3.32Å; P90-F123 VanDerWaalsContact CD-O 3.27Å; P90-F123 WeakPolarHBondContact CD-O 3.39Å; P90-F123 HydrophobicContact CG-CB 4.34Å; P90-F123 WeakPolarHBondContact CG-O 3.12Å; A91-F123 VanDerWaalsContact C-CD2 3.43Å; A91-F123 HydrophobicContact CB-CB 3.86Å; A91-F123 HydrophobicContact CB-CD2 3.44Å; A91-F123 VanDerWaalsContact CB-CD2 3.44Å; A91-F123 HydrophobicContact CB-CE2 4.05Å; A91-F123 HydrophobicContact CB-CG 3.79Å; A91-F123 PolarHBondContact O-N 3.23Å; L93-F123 HydrophobicContact CB-CE2 3.58Å; L93-F123 HydrophobicContact CB-CZ 3.98Å; F123-L133 HydrophobicContact CE1-CD1 3.97Å; F123-L133 HydrophobicContact CE1-CD2 3.8Å; F123-L133 HydrophobicContact CZ-CD1 4.24Å; F123-I192 CarbonylContact C-O 3.47Å; F123-I192 VanDerWaalsContact CA-O 3.27Å; F123-I192 WeakPolarHBondContact CA-O 3.21Å; F123-I192 HydrophobicContact CD1-CD1 3.76Å; F123-I192 HydrophobicContact CD1-CG1 3.5Å; F123-I192 VanDerWaalsContact CD1-CG1 3.5Å; F123-I192 HydrophobicContact CD2-CD1 4.37Å; F123-I192 HydrophobicContact CD2-CG1 4.38Å; F123-I192 HydrophobicContact CE1-CD1 3.32Å; F123-I192 HydrophobicContact CE1-CG1 3.65Å; F123-I192 HydrophobicContact CE2-CD1 4.03Å; F123-I192 HydrophobicContact CG-CD1 4.3Å; F123-I192 HydrophobicContact CG-CG1 3.94Å; F123-I192 HydrophobicContact CZ-CD1 3.5Å; F123-I192 VanDerWaalsContact CZ-CD1 3.5Å; F123-I192 HydrophobicContact CZ-CG1 4.19Å; F123-I194 HydrophobicContact CB-CG2 3.81Å; F123-I194 HydrophobicContact CD1-CB 3.63Å; F123-I194 HydrophobicContact CD1-CD1 4.2Å; F123-I194 HydrophobicContact CD1-CG1 4.47Å; F123-I194 HydrophobicContact CD1-CG2 3.86Å; F123-I194 HydrophobicContact CE1-CB 4.23Å; F123-I194 HydrophobicContact CE1-CD1 4.23Å; F123-I194 HydrophobicContact CG-CB 4.45Å; F123-I194 HydrophobicContact CG-CG2 4.2Å |
| 124 | K | 97 | Very high | 96.9 | Very high | 64 Ų | 64 | 39 Ų | 39 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.8 | 165.8 | 63.1 | 173.4 | 174.3 | -175.8 | 0 | 110.4 | P191 I192 V193 I194 | K124-P191 HydrophobicContact CB-CB 4.3Å; K124-P191 HydrophobicContact CB-CG 4.42Å; K124-P191 HydrophobicContact CD-CB 4.36Å; K124-P191 HydrophobicContact CD-CG 3.72Å; K124-P191 HydrophobicContact CG-CB 4.13Å; K124-P191 HydrophobicContact CG-CG 4.05Å; K124-I192 PolarHBondContact N-O 3.4Å; K124-V193 HydrophobicContact CG-CG2 4.23Å; K124-V193 WeakPolarHBondContact O-CA 3.46Å; K124-I194 PolarHBondContact O-N 2.83Å |
| 125 | I | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 39% | 0.39 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.8 | 171.3 | -55.2 | -60.1 | 0 | 0 | 0 | 109.4 | P90 I194 L199 | P90-I125 HydrophobicContact CB-CD1 4.05Å; P90-I125 HydrophobicContact CG-CD1 3.97Å; P90-I125 HydrophobicContact CG-CG1 4.21Å; I125-I194 WeakPolarHBondContact CA-O 3.04Å; I125-I194 HydrophobicContact CD1-CG2 4.37Å; I125-L199 HydrophobicContact CD1-CD1 3.15Å |
| 126 | G | 96.9 | Very high | 97 | Very high | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | trans | -165.8 | -175.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | I194 T195 | G126-I194 PolarHBondContact N-O 3.37Å; G126-I194 VanDerWaalsContact N-O 3.12Å; G126-T195 WeakPolarHBondContact O-CA 3.16Å | ||
| 127 | D | 96.2 | Very high | 96.9 | Very high | 165 Ų | 165 | 38.1 Ų | 38.1 | 88% | 0.882 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -84.7 | -25.1 | -166.8 | -55.7 | -40.8 | 0 | 0 | 0 | 113.6 | T195 | D127-T195 WeakPolarHBondContact O-CG2 3.41Š|
| 128 | Q | 95.5 | Very high | 96.9 | Very high | 161 Ų | 161 | 40.2 Ų | 40.2 | 75% | 0.752 | 23% | 0.231 | S | C | * | . | trans | -147.8 | 125.2 | -174.1 | -173.3 | 173.7 | -3.5 | 0 | 0 | 111.9 | V193 | Q128-V193 WeakPolarHBondContact O-CB 3.49Å; Q128-V193 WeakPolarHBondContact O-CG1 3.5Å | ||
| 129 | S | 95.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | trans | -84.2 | 168.4 | 168.6 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | V193 Q198 | S129-V193 WeakPolarHBondContact CB-O 3.41Å; S129-Q198 PolarHBondContact OG-NE2 3.34Å | ||
| 130 | S | 94.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | trans | -67.3 | 157.8 | 167.1 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | D132 L133 E134 A159 | S130-D132 PolarHBondContact O-N 2.84Å; S130-L133 PolarHBondContact O-N 2.86Å; S130-L133 VanDerWaalsContact OG-CB 3.28Å; S130-L133 WeakPolarHBondContact OG-CB 3.4Å; S130-L133 PolarHBondContact OG-N 2.7Å; S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 PolarHBondContact O-N 2.83Å; S130-A159 WeakPolarHBondContact CB-O 3.3Å; S130-A159 PolarHBondContact OG-O 2.78Å | ||
| 131 | A | 93.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E134 A135 | A131-E134 WeakPolarHBondContact O-CB 3.46Å; A131-E134 PolarHBondContact O-N 3.28Å; A131-A135 PolarHBondContact O-N 3.17Å |
| 132 | D | 94 | Very high | 96.7 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 177.8 | -76.1 | -100.9 | 0 | 0 | 0 | 112.8 | S130 A135 L136 L155 L156 A159 V160 | S130-D132 PolarHBondContact O-N 2.84Å; D132-A135 PolarHBondContact O-N 3.2Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 PolarHBondContact O-N 3.11Å; D132-L155 HydrophobicContact CB-CD1 4Å; D132-L156 PolarHBondContact OD1-N 3.02Å; D132-A159 HydrophobicContact CB-CB 3.73Å; D132-A159 VanDerWaalsContact CG-CB 3.5Å; D132-A159 WeakPolarHBondContact OD2-CB 3.44Å; D132-V160 HydrophobicContact CB-CG2 3.73Å |
| 133 | L | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 172.3 | 177.6 | 59.9 | 0 | 0 | 0 | 110.6 | F123 S130 L136 L137 I192 V193 | F123-L133 HydrophobicContact CE1-CD1 3.97Å; F123-L133 HydrophobicContact CE1-CD2 3.8Å; F123-L133 HydrophobicContact CZ-CD1 4.24Å; S130-L133 PolarHBondContact O-N 2.86Å; S130-L133 VanDerWaalsContact OG-CB 3.28Å; S130-L133 WeakPolarHBondContact OG-CB 3.4Å; S130-L133 PolarHBondContact OG-N 2.7Å; L133-L136 PolarHBondContact O-N 3.26Å; L133-L137 HydrophobicContact CD1-CD1 3.89Å; L133-L137 HydrophobicContact CD1-CG 4.04Å; L133-L137 HydrophobicContact CG-CD1 3.93Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.35Å; L133-L137 PolarHBondContact O-N 2.99Å; L133-I192 HydrophobicContact CD2-CD1 4.32Å; L133-V193 VanDerWaalsContact CD2-O 3.27Å; L133-V193 WeakPolarHBondContact CD2-O 3.26Å |
| 134 | E | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.2 | -173.7 | 177.3 | 174.8 | 0 | 0 | 111.3 | S130 A131 L136 L137 S138 | S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 PolarHBondContact O-N 2.83Å; A131-E134 WeakPolarHBondContact O-CB 3.46Å; A131-E134 PolarHBondContact O-N 3.28Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.4Å; E134-L137 PolarHBondContact O-N 3.15Å; E134-L137 VanDerWaalsContact O-N 3.12Å; E134-S138 WeakPolarHBondContact O-CB 3.09Å; E134-S138 PolarHBondContact O-N 3.19Å; E134-S138 PolarHBondContact O-OG 3.49Å |
| 135 | A | 97.2 | Very high | 96.7 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A131 D132 T139 L152 | A131-A135 PolarHBondContact O-N 3.17Å; D132-A135 PolarHBondContact O-N 3.2Å; A135-T139 WeakPolarHBondContact O-CB 3.36Å; A135-T139 PolarHBondContact O-N 2.96Å; A135-T139 PolarHBondContact O-OG1 2.89Å; A135-L152 HydrophobicContact CB-CD1 4.32Å |
| 136 | L | 97.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 174.7 | -176.7 | 65.2 | 0 | 0 | 0 | 111.9 | V34 V43 I70 D132 L133 E134 T139 A140 L152 | V34-L136 HydrophobicContact CG2-CD1 3.67Å; V43-L136 HydrophobicContact CG1-CD1 4.22Å; V43-L136 HydrophobicContact CG2-CD1 3.85Å; V43-L136 HydrophobicContact CG2-CD2 4.36Å; I70-L136 HydrophobicContact CD1-CD2 4.08Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 PolarHBondContact O-N 3.11Å; L133-L136 PolarHBondContact O-N 3.26Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.4Å; L136-T139 WeakPolarHBondContact O-CB 3.41Å; L136-T139 PolarHBondContact O-N 2.89Å; L136-A140 PolarHBondContact O-N 2.81Å; L136-L152 HydrophobicContact CB-CD2 4.18Å; L136-L152 HydrophobicContact CD1-CD2 3.93Å |
| 137 | L | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.8 | -36.9 | -178.1 | -63.9 | 175.7 | 0 | 0 | 0 | 112.4 | I70 L133 E134 T139 A140 E141 I194 Q198 L202 | I70-L137 HydrophobicContact CD1-CD2 4.49Å; L133-L137 HydrophobicContact CD1-CD1 3.89Å; L133-L137 HydrophobicContact CD1-CG 4.04Å; L133-L137 HydrophobicContact CG-CD1 3.93Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.35Å; L133-L137 PolarHBondContact O-N 2.99Å; E134-L137 PolarHBondContact O-N 3.15Å; E134-L137 VanDerWaalsContact O-N 3.12Å; L137-T139 VanDerWaalsContact C-N 3.26Å; L137-T139 PolarHBondContact O-N 2.63Å; L137-A140 WeakPolarHBondContact O-CA 3.22Å; L137-A140 WeakPolarHBondContact O-CB 3.17Å; L137-A140 PolarHBondContact O-N 2.78Å; L137-E141 PolarHBondContact O-N 2.82Å; L137-E141 VanDerWaalsContact O-N 3.1Å; L137-I194 HydrophobicContact CD1-CD1 3.86Å; L137-I194 HydrophobicContact CD1-CG1 4.12Å; L137-Q198 HydrophobicContact CD1-CB 3.93Å; L137-Q198 HydrophobicContact CD1-CG 3.99Å; L137-L202 HydrophobicContact CD2-CD1 3.92Å; L137-L202 HydrophobicContact CD2-CD2 3.91Å; L137-L202 HydrophobicContact CD2-CG 4.15Å |
| 138 | S | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -28.2 | 171.2 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | E134 Q142 | E134-S138 WeakPolarHBondContact O-CB 3.09Å; E134-S138 PolarHBondContact O-N 3.19Å; E134-S138 PolarHBondContact O-OG 3.49Å; S138-Q142 PolarHBondContact O-NE2 2.88Å |
| 139 | T | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 169.3 | -57 | 0 | 0 | 0 | 0 | 110.6 | V34 A135 L136 L137 E141 Q142 K150 L152 | V34-T139 HydrophobicContact CB-CG2 3.86Å; V34-T139 HydrophobicContact CG2-CG2 3.65Å; A135-T139 WeakPolarHBondContact O-CB 3.36Å; A135-T139 PolarHBondContact O-N 2.96Å; A135-T139 PolarHBondContact O-OG1 2.89Å; L136-T139 WeakPolarHBondContact O-CB 3.41Å; L136-T139 PolarHBondContact O-N 2.89Å; L137-T139 VanDerWaalsContact C-N 3.26Å; L137-T139 PolarHBondContact O-N 2.63Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 PolarHBondContact O-N 3.49Å; T139-Q142 WeakPolarHBondContact O-CB 3.38Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 VanDerWaalsContact O-N 3.11Å; T139-K150 HydrophobicContact CG2-CB 3.79Å; T139-K150 HydrophobicContact CG2-CG 3.72Å; T139-L152 HydrophobicContact CG2-CB 4.24Å |
| 140 | A | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V34 L41 L136 L137 Q142 V143 L202 L205 | V34-A140 HydrophobicContact CG1-CB 4.37Å; L41-A140 HydrophobicContact CD1-CB 4.05Å; L41-A140 HydrophobicContact CD2-CB 3.45Å; L41-A140 VanDerWaalsContact CD2-CB 3.45Å; L41-A140 HydrophobicContact CG-CB 4.39Å; L136-A140 PolarHBondContact O-N 2.81Å; L137-A140 WeakPolarHBondContact O-CA 3.22Å; L137-A140 WeakPolarHBondContact O-CB 3.17Å; L137-A140 PolarHBondContact O-N 2.78Å; A140-Q142 PolarHBondContact O-N 3.24Å; A140-Q142 VanDerWaalsContact O-N 3.14Å; A140-V143 WeakPolarHBondContact O-CG2 3.44Å; A140-V143 PolarHBondContact O-N 2.71Å; A140-L202 HydrophobicContact CB-CD2 4.05Å; A140-L205 WeakPolarHBondContact O-CD2 3.39Å |
| 141 | E | 96.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23 | 175.9 | -72.9 | 177.3 | -179.7 | 0 | 0 | 114 | L137 T139 Q144 S201 | L137-E141 PolarHBondContact O-N 2.82Å; L137-E141 VanDerWaalsContact O-N 3.1Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 PolarHBondContact O-N 3.49Å; E141-Q144 WeakPolarHBondContact O-CG 3.05Å; E141-Q144 PolarHBondContact O-NE2 3.42Å; E141-Q144 VanDerWaalsContact O-NE2 3.13Å; E141-S201 WeakPolarHBondContact OE1-CB 3.32Å; E141-S201 PolarHBondContact OE1-OG 3.44Å |
| 142 | Q | 97.8 | Very high | 97.5 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8.1 | 179.5 | -63.9 | 172.4 | 58.7 | 0 | 0 | 113.2 | S138 T139 A140 | S138-Q142 PolarHBondContact O-NE2 2.88Å; T139-Q142 WeakPolarHBondContact O-CB 3.38Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 VanDerWaalsContact O-N 3.11Å; A140-Q142 PolarHBondContact O-N 3.24Å; A140-Q142 VanDerWaalsContact O-N 3.14Å |
| 143 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -116.3 | 48.5 | -179 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | V34 N36 L41 A140 L145 Q148 S149 K150 L205 | V34-V143 HydrophobicContact CG1-CG2 4.1Å; N36-V143 HydrophobicContact CB-CB 4.33Å; N36-V143 HydrophobicContact CB-CG2 4.31Å; N36-V143 WeakPolarHBondContact CB-O 3.33Å; N36-V143 PolarHBondContact ND2-O 2.79Å; L41-V143 HydrophobicContact CD1-CG2 4.06Å; A140-V143 WeakPolarHBondContact O-CG2 3.44Å; A140-V143 PolarHBondContact O-N 2.71Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 3.05Å; V143-Q148 HydrophobicContact CB-CB 3.87Å; V143-Q148 HydrophobicContact CG1-CB 4.12Å; V143-S149 VanDerWaalsContact CG1-C 3.44Å; V143-K150 HydrophobicContact CG1-CB 3.63Å; V143-L205 WeakPolarHBondContact O-CD2 3.37Å | ||
| 144 | Q | 97.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 57 Ų | 57 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | trans | -62.3 | -31.3 | -172.1 | -60.9 | -173.3 | 1.8 | 0 | 0 | 114.6 | N36 E141 L205 R206 | N36-Q144 VanDerWaalsContact ND2-C 3.34Å; N36-Q144 PolarHBondContact ND2-O 3.44Å; E141-Q144 WeakPolarHBondContact O-CG 3.05Å; E141-Q144 PolarHBondContact O-NE2 3.42Å; E141-Q144 VanDerWaalsContact O-NE2 3.13Å; Q144-L205 CarbonylContact O-C 3.46Å; Q144-R206 WeakPolarHBondContact O-CB 3.07Å; Q144-R206 PolarHBondContact O-N 2.84Å | ||
| 145 | L | 98.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -101.1 | 145.5 | -175.1 | -54.8 | 179 | 0 | 0 | 0 | 111.1 | N36 V143 G147 Q148 R206 R211 | N36-L145 PolarHBondContact ND2-O 3.11Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 3.05Å; L145-G147 PolarHBondContact O-N 3.32Å; L145-Q148 HydrophobicContact CB-CG 4.07Å; L145-Q148 VanDerWaalsContact O-CB 3.27Å; L145-Q148 WeakPolarHBondContact O-CB 3.46Å; L145-Q148 WeakPolarHBondContact O-CG 3.41Å; L145-Q148 PolarHBondContact O-N 3.18Å; L145-R206 HydrophobicContact CD2-CB 4.03Å; L145-R206 HydrophobicContact CD2-CG 3.81Å; L145-R211 HydrophobicContact CD2-CG 4.05Å |
| 146 | K | 98.4 | Very high | 97 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.9 | 173.9 | 173.5 | 178.1 | -178.7 | 173.7 | 0 | 110.8 | T37 Q148 I207 A208 P209 | T37-K146 VanDerWaalsContact O-CE 3.31Å; T37-K146 WeakPolarHBondContact O-CE 3.15Å; K146-Q148 VanDerWaalsContact C-N 3.28Å; K146-I207 VanDerWaalsContact CD-O 3.28Å; K146-I207 WeakPolarHBondContact CD-O 3.28Å; K146-A208 VanDerWaalsContact CB-C 3.48Å; K146-A208 PolarHBondContact N-O 3.25Å; K146-P209 HydrophobicContact CB-CG 4.4Å |
| 147 | G | 98.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 53 Ų | 53 | 66% | 0.66 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -9.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N36 L145 | N36-G147 PolarHBondContact O-N 3.39Å; L145-G147 PolarHBondContact O-N 3.32Å |
| 148 | Q | 98.6 | Very high | 96.7 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | trans | -72.9 | 141.9 | 171.1 | -66 | -173.5 | -49.2 | 0 | 0 | 110.6 | N36 V143 L145 K146 | N36-Q148 PolarHBondContact N-O 3.5Å; V143-Q148 HydrophobicContact CB-CB 3.87Å; V143-Q148 HydrophobicContact CG1-CB 4.12Å; L145-Q148 HydrophobicContact CB-CG 4.07Å; L145-Q148 VanDerWaalsContact O-CB 3.27Å; L145-Q148 WeakPolarHBondContact O-CB 3.46Å; L145-Q148 WeakPolarHBondContact O-CG 3.41Å; L145-Q148 PolarHBondContact O-N 3.18Å; K146-Q148 VanDerWaalsContact C-N 3.28Å | ||
| 149 | S | 98.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.7 | 170.7 | 71 | 0 | 0 | 0 | 0 | 111.3 | E33 V34 V143 | E33-S149 VanDerWaalsContact OE1-CB 3.29Å; E33-S149 WeakPolarHBondContact OE1-CB 3.27Å; E33-S149 PolarHBondContact OE1-OG 3.01Å; V34-S149 CarbonylContact O-C 3.57Å; V34-S149 WeakPolarHBondContact O-CA 3.46Å; V143-S149 VanDerWaalsContact CG1-C 3.44Å |
| 150 | K | 98.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135.6 | 175.9 | -174.6 | 69.8 | 176.9 | -169.5 | 0 | 109.1 | V34 T139 V143 | V34-K150 PolarHBondContact N-O 2.8Å; V34-K150 PolarHBondContact O-N 2.78Å; T139-K150 HydrophobicContact CG2-CB 3.79Å; T139-K150 HydrophobicContact CG2-CG 3.72Å; V143-K150 HydrophobicContact CG1-CB 3.63Å |
| 151 | R | 97.4 | Very high | 96.4 | Very high | 156 Ų | 156 | 57 Ų | 57 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 135.8 | 173.5 | -60.4 | -169.6 | 177.9 | 173.9 | -2.2 | 110.1 | V32 L46 | V32-R151 CarbonylContact O-C 3.55Å; V32-R151 WeakPolarHBondContact O-CA 3.31Å; L46-R151 HydrophobicContact CD1-CB 4.42Å; L46-R151 HydrophobicContact CD1-CG 3.82Å |
| 152 | L | 95.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.5 | 167.4 | 172 | 63.2 | 0 | 0 | 0 | 107.3 | V32 A135 L136 T139 L155 | V32-L152 HydrophobicContact CG2-CB 3.84Å; V32-L152 HydrophobicContact CG2-CD2 4.22Å; V32-L152 HydrophobicContact CG2-CG 4.3Å; V32-L152 PolarHBondContact N-O 3.13Å; V32-L152 PolarHBondContact O-N 3.34Å; A135-L152 HydrophobicContact CB-CD1 4.32Å; L136-L152 HydrophobicContact CB-CD2 4.18Å; L136-L152 HydrophobicContact CD1-CD2 3.93Å; T139-L152 HydrophobicContact CG2-CB 4.24Å; L152-L155 HydrophobicContact CD2-CB 4.48Å; L152-L155 HydrophobicContact CD2-CD1 4.06Å |
| 153 | H | 94.2 | Very high | 96.3 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.3 | -178.5 | -65.1 | -76.4 | 0 | 0 | 0 | 110.8 | D31 L155 | D31-H153 VanDerWaalsContact OD1-CA 3.22Å; D31-H153 WeakPolarHBondContact OD1-CA 3.35Å; D31-H153 IonicContact OD1-CG 3.9Å; D31-H153 IonicContact OD1-ND1 2.7Å; D31-H153 PolarHBondContact OD1-ND1 3.26Å; D31-H153 IonicContact OD2-CE1 3.71Å; D31-H153 PolarHBondContact OD2-CE1 3.29Å; D31-H153 IonicContact OD2-ND1 2.63Å; D31-H153 PolarHBondContact OD2-ND1 3.2Å; H153-L155 PolarHBondContact O-N 3.47Å |
| 154 | G | 92.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.8 | 30.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | I30 D31 | I30-G154 PolarHBondContact O-N 3.25Å; D31-G154 PolarHBondContact OD1-N 3.46Å; D31-G154 VanDerWaalsContact OD1-N 3.13Å |
| 155 | L | 93.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.8 | 175.2 | -178 | 74.5 | 0 | 0 | 0 | 110.3 | I30 V32 D132 L152 H153 L157 V160 | I30-L155 HydrophobicContact CG1-CB 4.21Å; I30-L155 WeakPolarHBondContact CG1-O 3.4Å; I30-L155 PolarHBondContact N-O 2.93Å; I30-L155 PolarHBondContact O-N 3.39Å; V32-L155 HydrophobicContact CG1-CD2 4.14Å; V32-L155 HydrophobicContact CG2-CD2 4.18Å; D132-L155 HydrophobicContact CB-CD1 4Å; L152-L155 HydrophobicContact CD2-CB 4.48Å; L152-L155 HydrophobicContact CD2-CD1 4.06Å; H153-L155 PolarHBondContact O-N 3.47Å; L155-L157 HydrophobicContact CD2-CD2 4.32Å; L155-V160 HydrophobicContact CD1-CG2 3.97Å |
| 156 | L | 93.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | trans | -101 | 118.4 | 169.8 | -72.1 | 168.9 | 0 | 0 | 0 | 110.6 | D27 Q29 D132 D158 A159 V160 | D27-L156 VanDerWaalsContact O-CD2 3.23Å; D27-L156 WeakPolarHBondContact O-CD2 3.47Å; Q29-L156 HydrophobicContact CG-CD2 3.89Å; Q29-L156 HydrophobicContact CG-CG 4.1Å; D132-L156 PolarHBondContact OD1-N 3.02Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 2.93Å; L156-A159 HydrophobicContact CB-CB 3.91Å; L156-A159 PolarHBondContact O-N 2.89Å; L156-V160 PolarHBondContact O-N 2.92Å | ||
| 157 | L | 94.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 177.5 | -72.6 | -178.9 | 0 | 0 | 0 | 112 | S26 I30 V52 F65 L95 L155 A159 V160 L161 | S26-L157 PolarHBondContact O-N 2.85Å; I30-L157 HydrophobicContact CD1-CD1 4.2Å; I30-L157 HydrophobicContact CD1-CD2 4.42Å; I30-L157 HydrophobicContact CD1-CG 4.06Å; V52-L157 HydrophobicContact CB-CD1 4.4Å; V52-L157 HydrophobicContact CG1-CD1 3.72Å; V52-L157 HydrophobicContact CG2-CD1 4.05Å; F65-L157 HydrophobicContact CD1-CD1 4.43Å; F65-L157 HydrophobicContact CE1-CD1 4.38Å; L95-L157 HydrophobicContact CD2-CD1 4.36Å; L95-L157 HydrophobicContact CD2-CD2 4.2Å; L155-L157 HydrophobicContact CD2-CD2 4.32Å; L157-A159 PolarHBondContact O-N 2.58Å; L157-V160 PolarHBondContact O-N 2.82Å; L157-L161 HydrophobicContact CB-CD1 4.21Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.38Å |
| 158 | D | 94.5 | Very high | 96.2 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.2 | -27.4 | 174.7 | -82.5 | -5.3 | 0 | 0 | 0 | 113.1 | S26 D27 L156 | S26-D158 WeakPolarHBondContact CB-OD1 3.47Å; S26-D158 PolarHBondContact O-N 3.13Å; S26-D158 PolarHBondContact OG-OD1 2.84Å; D27-D158 PolarHBondContact N-OD2 2.79Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 2.93Å |
| 159 | A | 94.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -83.3 | -18.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S130 D132 L156 L157 | S130-A159 WeakPolarHBondContact CB-O 3.3Å; S130-A159 PolarHBondContact OG-O 2.78Å; D132-A159 HydrophobicContact CB-CB 3.73Å; D132-A159 VanDerWaalsContact CG-CB 3.5Å; D132-A159 WeakPolarHBondContact OD2-CB 3.44Å; L156-A159 HydrophobicContact CB-CB 3.91Å; L156-A159 PolarHBondContact O-N 2.89Å; L157-A159 PolarHBondContact O-N 2.58Å |
| 160 | V | 95.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -93 | -41.6 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | L93 D132 L155 L156 L157 I192 | L93-V160 HydrophobicContact CD2-CG1 3.75Å; D132-V160 HydrophobicContact CB-CG2 3.73Å; L155-V160 HydrophobicContact CD1-CG2 3.97Å; L156-V160 PolarHBondContact O-N 2.92Å; L157-V160 PolarHBondContact O-N 2.82Å; V160-I192 WeakPolarHBondContact O-CG2 3.42Å |
| 161 | L | 96.9 | Very high | 96 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.6 | 143.1 | -172.1 | -64.1 | 175.6 | 0 | 0 | 0 | 111.3 | I23 L93 L95 L119 V121 L157 | I23-L161 HydrophobicContact CD1-CD1 3.64Å; L93-L161 HydrophobicContact CD2-CD2 4.49Å; L95-L161 HydrophobicContact CD1-CD2 3.98Å; L95-L161 HydrophobicContact CD2-CD1 4.1Å; L95-L161 HydrophobicContact CD2-CD2 4.16Å; L119-L161 HydrophobicContact CD2-CD1 4.02Å; L119-L161 HydrophobicContact CD2-CD2 4.13Å; V121-L161 HydrophobicContact CG2-CD2 3.78Å; L157-L161 HydrophobicContact CB-CD1 4.21Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.38Å |
| 162 | P | 96 | Very high | 96 | Very high | 23 Ų | 23 | 36 Ų | 36 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | trans | -79.3 | -176.8 | 169.8 | 36.1 | -33 | 0 | 0 | 0 | 110.3 | V121 T164 L188 Q190 I192 | V121-P162 HydrophobicContact CG1-CG 3.74Å; P162-T164 PolarHBondContact O-N 3.29Å; P162-L188 HydrophobicContact CG-CB 4.16Å; P162-L188 HydrophobicContact CG-CD1 3.73Å; P162-Q190 HydrophobicContact CB-CB 3.81Å; P162-Q190 HydrophobicContact CG-CB 4.37Å; P162-Q190 WeakPolarHBondContact CG-O 3.45Å; P162-I192 HydrophobicContact CB-CG2 4.06Å; P162-I192 HydrophobicContact CG-CG2 3.85Å | ||
| 163 | S | 96.2 | Very high | 96 | Very high | 52 Ų | 52 | 35 Ų | 35 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | trans | -54.7 | 129 | 179.3 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | M165 | S163-M165 VanDerWaalsContact C-N 3.29Å; S163-M165 WeakPolarHBondContact OG-CB 3.45Å; S163-M165 VanDerWaalsContact OG-CG 3.3Å; S163-M165 WeakPolarHBondContact OG-CG 3.34Å; S163-M165 PolarHBondContact OG-N 2.84Å | ||
| 164 | T | 97 | Very high | 96 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 20% | 0.202 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -88.1 | 3.6 | 175.2 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | L21 I23 P162 Q166 L188 | L21-T164 PolarHBondContact N-O 2.86Å; L21-T164 WeakPolarHBondContact O-CB 3.41Å; L21-T164 PolarHBondContact O-OG1 2.87Å; I23-T164 HydrophobicContact CD1-CG2 3.75Å; I23-T164 HydrophobicContact CG1-CG2 4.28Å; P162-T164 PolarHBondContact O-N 3.29Å; T164-Q166 VanDerWaalsContact C-N 3.3Å; T164-Q166 PolarHBondContact O-N 2.84Å; T164-L188 HydrophobicContact CG2-CD1 4.26Å; T164-L188 HydrophobicContact CG2-CD2 4.39Å |
| 165 | M | 97.5 | Very high | 95.9 | Very high | 106 Ų | 106 | 29 Ų | 29 | 52% | 0.522 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -68.2 | -30.4 | -175.4 | -66.2 | -59.9 | -66.3 | 0 | 0 | 113 | P20 S163 N234 | P20-M165 HydrophobicContact CB-CE 4.08Å; P20-M165 HydrophobicContact CB-SD 3.75Å; P20-M165 HydrophobicContact CG-CE 3.45Å; P20-M165 VanDerWaalsContact CG-CE 3.45Å; P20-M165 HydrophobicContact CG-SD 3.84Å; S163-M165 VanDerWaalsContact C-N 3.29Å; S163-M165 WeakPolarHBondContact OG-CB 3.45Å; S163-M165 VanDerWaalsContact OG-CG 3.3Å; S163-M165 WeakPolarHBondContact OG-CG 3.34Å; S163-M165 PolarHBondContact OG-N 2.84Å; M165-N234 PolarHBondContact O-ND2 3.02Å |
| 166 | Q | 97.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -131.9 | 131.9 | -175.2 | -73.7 | -178.7 | -21.1 | 0 | 0 | 110.4 | T164 N189 N234 I235 | T164-Q166 VanDerWaalsContact C-N 3.3Å; T164-Q166 PolarHBondContact O-N 2.84Å; Q166-N189 HydrophobicContact CB-CB 3.73Å; Q166-N189 VanDerWaalsContact O-CB 3.28Å; Q166-N189 WeakPolarHBondContact O-CB 3.38Å; Q166-N189 PolarHBondContact O-N 2.72Å; Q166-N189 PolarHBondContact OE1-ND2 3.04Å; Q166-N234 WeakPolarHBondContact CA-OD1 3.19Å; Q166-I235 HydrophobicContact CB-CD1 4.39Å; Q166-I235 HydrophobicContact CB-CG1 3.9Å; Q166-I235 HydrophobicContact CG-CG1 4.15Å |
| 167 | Y | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168.4 | -176.8 | 61.6 | -95.4 | 0 | 0 | 0 | 112.5 | L18 V19 L21 G57 P58 T169 I186 L187 T233 N234 | L18-Y167 WeakPolarHBondContact CB-OH 3.28Å; L18-Y167 HydrophobicContact CD1-CE2 4.22Å; V19-Y167 WeakPolarHBondContact O-CE1 3.35Å; V19-Y167 PolarHBondContact O-OH 2.78Å; L21-Y167 HydrophobicContact CB-CD1 4.25Å; L21-Y167 HydrophobicContact CB-CE1 4.17Å; G57-Y167 WeakPolarHBondContact CA-OH 3.44Å; P58-Y167 HydrophobicContact CB-CE2 4.37Å; P58-Y167 WeakPolarHBondContact CD-OH 3.15Å; P58-Y167 HydrophobicContact CG-CE2 3.9Å; Y167-T169 HydrophobicContact CD2-CG2 4.48Å; Y167-T169 HydrophobicContact CE2-CG2 4.06Å; Y167-I186 HydrophobicContact CD1-CG2 4.47Å; Y167-I186 HydrophobicContact CD2-CG2 3.76Å; Y167-I186 HydrophobicContact CE2-CG2 4.5Å; Y167-I186 HydrophobicContact CG-CG2 3.76Å; Y167-L187 CarbonylContact C-O 3.46Å; Y167-L187 WeakPolarHBondContact CA-O 3.47Å; Y167-L187 VanDerWaalsContact CB-O 3.22Å; Y167-L187 WeakPolarHBondContact CB-O 3.34Å; Y167-T233 WeakPolarHBondContact O-CA 3.32Å; Y167-T233 WeakPolarHBondContact O-CB 3.48Å; Y167-T233 PolarHBondContact O-OG1 3.35Å; Y167-N234 PolarHBondContact N-OD1 2.77Å; Y167-N234 PolarHBondContact O-OD1 2.89Å |
| 168 | I | 98.3 | Very high | 95 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.5 | 171.7 | -60.8 | 170.8 | 0 | 0 | 0 | 107.4 | I7 L12 I186 L187 V231 R232 | I7-I168 HydrophobicContact CD1-CD1 4.49Å; I7-I168 HydrophobicContact CD1-CG2 4.05Å; I7-I168 HydrophobicContact CG2-CD1 3.97Å; I7-I168 HydrophobicContact CG2-CG2 4.29Å; L12-I168 HydrophobicContact CD1-CD1 3.77Å; L12-I168 HydrophobicContact CD1-CG1 4.19Å; L12-I168 HydrophobicContact CD2-CD1 4.23Å; L12-I168 HydrophobicContact CD2-CG1 4.31Å; L12-I168 HydrophobicContact CD2-CG2 3.69Å; I168-I186 CarbonylContact O-C 3.2Å; I168-I186 WeakPolarHBondContact O-CA 3.29Å; I168-L187 HydrophobicContact CB-CB 4.42Å; I168-L187 PolarHBondContact N-O 2.87Å; I168-L187 PolarHBondContact O-N 2.91Å; I168-V231 HydrophobicContact CG2-CG1 3.37Å; I168-R232 CarbonylContact C-O 3.46Å; I168-R232 WeakPolarHBondContact CA-O 3.49Å |
| 169 | T | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.9 | -175.7 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | L18 P58 Y167 W185 R232 | L18-T169 HydrophobicContact CD1-CG2 3.78Å; L18-T169 HydrophobicContact CD2-CG2 4.43Å; P58-T169 HydrophobicContact CB-CG2 3.81Å; P58-T169 WeakPolarHBondContact CB-OG1 3.42Å; P58-T169 HydrophobicContact CG-CG2 4.26Å; P58-T169 WeakPolarHBondContact CG-OG1 3.46Å; Y167-T169 HydrophobicContact CD2-CG2 4.48Å; Y167-T169 HydrophobicContact CE2-CG2 4.06Å; T169-W185 WeakPolarHBondContact CA-O 3.37Å; T169-W185 WeakPolarHBondContact CB-O 3.42Å; T169-W185 PolarHBondContact OG1-O 3.45Å; T169-R232 HydrophobicContact CG2-CB 4Å; T169-R232 PolarHBondContact N-O 2.92Å; T169-R232 PolarHBondContact O-N 2.9Å |
| 170 | Y | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 158.1 | 177.5 | 73.3 | -96.6 | 0 | 0 | 0 | 112.1 | I5 H82 W185 L187 | I5-Y170 HydrophobicContact CD1-CD1 3.9Å; I5-Y170 HydrophobicContact CD1-CD2 4.33Å; I5-Y170 HydrophobicContact CD1-CE1 3.95Å; I5-Y170 HydrophobicContact CD1-CE2 4.38Å; I5-Y170 HydrophobicContact CD1-CG 4.09Å; I5-Y170 HydrophobicContact CG1-CD1 4.32Å; I5-Y170 HydrophobicContact CG1-CE1 3.84Å; I5-Y170 HydrophobicContact CG1-CE2 4.37Å; H82-Y170 AromaticContact NE2-CE1 3.66Å; H82-Y170 AromaticContact NE2-CZ 3.55Å; H82-Y170 PolarHBondContact NE2-OH 3.42Å; Y170-W185 HydrophobicContact CD1-CB 3.89Å; Y170-W185 HydrophobicContact CD2-CB 4.3Å; Y170-W185 HydrophobicContact CE1-CB 3.54Å; Y170-W185 AromaticContact CE1-CG 3.96Å; Y170-W185 HydrophobicContact CE1-CG 3.96Å; Y170-W185 HydrophobicContact CE2-CB 3.98Å; Y170-W185 AromaticContact CE2-CD1 3.43Å; Y170-W185 VanDerWaalsContact CE2-CD1 3.43Å; Y170-W185 AromaticContact CE2-CG 3.85Å; Y170-W185 HydrophobicContact CE2-CG 3.85Å; Y170-W185 HydrophobicContact CG-CB 4.27Å; Y170-W185 AromaticContact CZ-CD1 3.51Å; Y170-W185 AromaticContact CZ-CG 3.51Å; Y170-W185 PolarHBondContact N-O 3.42Å; Y170-W185 PolarHBondContact O-N 3.5Å; Y170-L187 HydrophobicContact CD1-CD1 4.49Å; Y170-L187 HydrophobicContact CE1-CD1 3.9Å |
| 171 | Q | 96.7 | Very high | 94.8 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.1 | 174.1 | -68.8 | -60 | -34.3 | 0 | 0 | 111.3 | T184 R229 | Q171-T184 PolarHBondContact NE2-OG1 2.83Å; Q171-T184 PolarHBondContact OE1-OG1 3.25Å; Q171-R229 VanDerWaalsContact O-CD 3.31Å; Q171-R229 WeakPolarHBondContact O-CD 3.23Å; Q171-R229 PolarHBondContact O-NE 2.72Å; Q171-R229 PolarHBondContact O-NH2 3.17Å |
| 172 | G | 96.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -158.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 S3 E181 T182 A183 | M1-G172 CarbonylContact O-C 3.52Å; S3-G172 WeakPolarHBondContact OG-CA 3.22Å; G172-E181 CarbonylContact O-C 3.59Å; G172-E181 VanDerWaalsContact O-CA 3.31Å; G172-E181 WeakPolarHBondContact O-CA 3.07Å; G172-T182 PolarHBondContact O-N 3.13Å; G172-A183 PolarHBondContact N-O 3.4Å; G172-A183 PolarHBondContact O-N 3.4Å |
| 173 | S | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -128.7 | 166.5 | -177.4 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | Q2 S3 C179 Y180 W185 | Q2-S173 WeakPolarHBondContact CA-OG 3.39Å; Q2-S173 PolarHBondContact OE1-OG 2.85Å; S3-S173 WeakPolarHBondContact CB-O 3.4Å; S3-S173 PolarHBondContact N-OG 2.78Å; S3-S173 PolarHBondContact OG-N 2.75Å; S173-C179 WeakPolarHBondContact CB-O 2.98Å; S173-Y180 CarbonylContact C-O 3.52Å; S173-Y180 WeakPolarHBondContact CA-O 3.11Å; S173-Y180 VanDerWaalsContact CB-O 3.26Å; S173-Y180 WeakPolarHBondContact CB-O 3.44Å; S173-W185 PolarHBondContact O-NE1 3.18Å | ||
| 174 | L | 94 | Very high | 94.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -63.6 | 141.1 | 164.8 | -68.9 | 171.8 | 0 | 0 | 0 | 110.4 | Y96 L110 L116 F176 Y180 R221 | Y96-L174 HydrophobicContact CD1-CD2 4.11Å; Y96-L174 HydrophobicContact CE1-CD2 3.66Å; L110-L174 HydrophobicContact CD2-CD1 3.49Å; L110-L174 VanDerWaalsContact CD2-CD1 3.49Å; L116-L174 HydrophobicContact CD1-CD1 3.95Å; L116-L174 HydrophobicContact CD1-CD2 3.59Å; L116-L174 HydrophobicContact CD1-CG 3.94Å; L174-F176 HydrophobicContact CB-CD2 4.42Å; L174-F176 HydrophobicContact CB-CE2 4.25Å; L174-F176 HydrophobicContact CB-CZ 4.3Å; L174-F176 HydrophobicContact CD1-CE2 3.85Å; L174-F176 HydrophobicContact CD1-CZ 4.1Å; L174-F176 HydrophobicContact CD2-CE1 4Å; L174-F176 HydrophobicContact CD2-CE2 4.2Å; L174-F176 HydrophobicContact CD2-CZ 3.61Å; L174-F176 HydrophobicContact CG-CE2 4.33Å; L174-F176 HydrophobicContact CG-CZ 4.22Å; L174-F176 PolarHBondContact O-N 2.68Å; L174-Y180 HydrophobicContact CD1-CD2 4.32Å; L174-Y180 PolarHBondContact N-O 2.82Å; L174-R221 PolarHBondContact O-NH1 2.97Å | ||
| 175 | P | 90.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -86 | 11.2 | 177.5 | 35.6 | -30.6 | 0 | 0 | 0 | 112.1 | D81 W185 R221 | D81-P175 WeakPolarHBondContact OD2-CB 3.35Å; D81-P175 WeakPolarHBondContact OD2-CG 3.45Å; P175-W185 HydrophobicContact CG-CH2 4.15Å; P175-W185 HydrophobicContact CG-CZ2 4.1Å; P175-R221 HydrophobicContact CB-CB 4.2Å; P175-R221 WeakPolarHBondContact O-CD 3.21Å |
| 176 | F | 88.2 | Confident | 94.9 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 23% | 0.232 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -133.7 | 158.4 | 176.7 | 50.4 | -98.6 | 0 | 0 | 0 | 110.8 | L69 Y96 L174 A178 C179 | L69-F176 HydrophobicContact CD1-CD1 4.01Å; L69-F176 HydrophobicContact CD1-CE1 3.73Å; Y96-F176 AromaticContact CE1-CE1 3.74Å; Y96-F176 HydrophobicContact CE1-CE1 3.74Å; Y96-F176 HydrophobicContact CE1-CZ 4.07Å; Y96-F176 AromaticContact CZ-CE1 3.66Å; Y96-F176 WeakPolarHBondContact OH-CE1 3.42Å; L174-F176 HydrophobicContact CB-CD2 4.42Å; L174-F176 HydrophobicContact CB-CE2 4.25Å; L174-F176 HydrophobicContact CB-CZ 4.3Å; L174-F176 HydrophobicContact CD1-CE2 3.85Å; L174-F176 HydrophobicContact CD1-CZ 4.1Å; L174-F176 HydrophobicContact CD2-CE1 4Å; L174-F176 HydrophobicContact CD2-CE2 4.2Å; L174-F176 HydrophobicContact CD2-CZ 3.61Å; L174-F176 HydrophobicContact CG-CE2 4.33Å; L174-F176 HydrophobicContact CG-CZ 4.22Å; L174-F176 PolarHBondContact O-N 2.68Å; F176-A178 PolarHBondContact O-N 2.93Å; F176-C179 PolarHBondContact O-N 2.66Å |
| 177 | P | 87.2 | Confident | 95 | Very high | 117 Ų | 117 | 28.7 Ų | 28.7 | 76% | 0.76 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.5 | -179.8 | -26.9 | 35.7 | 0 | 0 | 0 | 112.4 | ||
| 178 | A | 88.2 | Confident | 95 | Very high | 63 Ų | 63 | 28.8 Ų | 28.8 | 52% | 0.521 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.5 | 24.6 | 10 | 0 | 0 | 0 | 0 | 0 | 115.2 | F176 Y180 | F176-A178 PolarHBondContact O-N 2.93Å; A178-Y180 VanDerWaalsContact C-N 3.27Å; A178-Y180 HydrophobicContact CB-CD2 4.43Å; A178-Y180 HydrophobicContact CB-CE1 4.19Å; A178-Y180 HydrophobicContact CB-CE2 3.91Å; A178-Y180 PolarHBondContact O-N 2.94Å |
| 179 | C | 91.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 24% | 0.236 | 16% | 0.162 | C | C | . | . | trans | 59.9 | 33.1 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 114.4 | Q2 S173 F176 E181 R221 | Q2-C179 PolarHBondContact NE2-O 3.38Å; Q2-C179 VanDerWaalsContact NE2-O 3.13Å; S173-C179 WeakPolarHBondContact CB-O 2.98Å; F176-C179 PolarHBondContact O-N 2.66Å; C179-E181 PolarHBondContact O-N 3.32Å; C179-R221 PolarHBondContact SG-NH1 3.09Å | ||
| 180 | Y | 94 | Very high | 94.7 | Very high | 98 Ų | 98 | 33.8 Ų | 33.8 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | trans | -58.4 | 134.1 | -179.1 | -65.6 | -59.5 | 0 | 0 | 0 | 112.1 | L110 S173 L174 A178 T182 | L110-Y180 HydrophobicContact CB-CD2 4.14Å; L110-Y180 HydrophobicContact CB-CE2 4.36Å; L110-Y180 WeakPolarHBondContact O-CB 3.42Å; S173-Y180 CarbonylContact C-O 3.52Å; S173-Y180 WeakPolarHBondContact CA-O 3.11Å; S173-Y180 VanDerWaalsContact CB-O 3.26Å; S173-Y180 WeakPolarHBondContact CB-O 3.44Å; L174-Y180 HydrophobicContact CD1-CD2 4.32Å; L174-Y180 PolarHBondContact N-O 2.82Å; A178-Y180 VanDerWaalsContact C-N 3.27Å; A178-Y180 HydrophobicContact CB-CD2 4.43Å; A178-Y180 HydrophobicContact CB-CE1 4.19Å; A178-Y180 HydrophobicContact CB-CE2 3.91Å; A178-Y180 PolarHBondContact O-N 2.94Å; Y180-T182 VanDerWaalsContact C-N 3.3Å; Y180-T182 PolarHBondContact O-N 3.46Å | ||
| 181 | E | 94.6 | Very high | 94.7 | Very high | 110 Ų | 110 | 34.3 Ų | 34.3 | 51% | 0.514 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -91.6 | 56.2 | -174.4 | -49.3 | -165.3 | 129.6 | 0 | 0 | 111.9 | M1 Q2 G172 C179 | M1-E181 WeakPolarHBondContact CA-OE1 3.32Å; M1-E181 PolarHBondContact N-OE1 3Å; M1-E181 PolarHBondContact N-OE2 3.31Å; Q2-E181 PolarHBondContact N-OE1 3.25Å; Q2-E181 PolarHBondContact NE2-OE1 3.4Å; G172-E181 CarbonylContact O-C 3.59Å; G172-E181 VanDerWaalsContact O-CA 3.31Å; G172-E181 WeakPolarHBondContact O-CA 3.07Å; C179-E181 PolarHBondContact O-N 3.32Å |
| 182 | T | 94.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | trans | -122.9 | 5.5 | -167.1 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | L110 K112 G115 L116 G172 Y180 | L110-T182 WeakPolarHBondContact O-CG2 3.06Å; L110-T182 PolarHBondContact O-OG1 3.04Å; K112-T182 VanDerWaalsContact O-CB 3.29Å; K112-T182 WeakPolarHBondContact O-CB 3.33Å; K112-T182 WeakPolarHBondContact O-CG2 3.45Å; G115-T182 PolarHBondContact N-O 3.41Å; L116-T182 PolarHBondContact N-O 2.76Å; L116-T182 VanDerWaalsContact N-O 3.09Å; G172-T182 PolarHBondContact O-N 3.13Å; Y180-T182 VanDerWaalsContact C-N 3.3Å; Y180-T182 PolarHBondContact O-N 3.46Å | ||
| 183 | A | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 V118 G172 | L116-A183 HydrophobicContact CB-CB 4.33Å; L116-A183 WeakPolarHBondContact O-CA 3.05Å; V118-A183 HydrophobicContact CG2-CB 3.98Å; G172-A183 PolarHBondContact N-O 3.4Å; G172-A183 PolarHBondContact O-N 3.4Å |
| 184 | T | 98.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.4 | 160.6 | -57.3 | 0 | 0 | 0 | 0 | 108.3 | P58 L59 L116 A117 V118 Q171 | P58-T184 HydrophobicContact CB-CG2 4.44Å; P58-T184 HydrophobicContact CG-CG2 4.28Å; L59-T184 HydrophobicContact CD2-CG2 4.06Å; L116-T184 PolarHBondContact O-N 3.24Å; A117-T184 WeakPolarHBondContact CA-O 3.26Å; V118-T184 PolarHBondContact N-O 3.35Å; Q171-T184 PolarHBondContact NE2-OG1 2.83Å; Q171-T184 PolarHBondContact OE1-OG1 3.25Å |
| 185 | W | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.9 | 176 | -77.1 | 93.5 | 0 | 0 | 0 | 111 | S3 H82 Q94 V118 T169 Y170 S173 P175 L187 | S3-W185 PolarHBondContact OG-NE1 3.4Å; H82-W185 AromaticContact CE1-CD2 3.85Å; H82-W185 AromaticContact CE1-CE3 3.46Å; H82-W185 VanDerWaalsContact CE1-CE3 3.46Å; H82-W185 AromaticContact CE1-CH2 3.81Å; H82-W185 AromaticContact CE1-CZ3 3.45Å; H82-W185 VanDerWaalsContact CE1-CZ3 3.45Å; H82-W185 WeakPolarHBondContact CE1-CZ3 3.09Å; Q94-W185 HydrophobicContact CG-CH2 4.36Å; Q94-W185 HydrophobicContact CG-CZ3 4.23Å; V118-W185 HydrophobicContact CB-CD2 4.04Å; V118-W185 HydrophobicContact CB-CE3 3.75Å; V118-W185 HydrophobicContact CB-CH2 4.31Å; V118-W185 HydrophobicContact CB-CZ3 3.88Å; V118-W185 HydrophobicContact CG1-CD2 4.33Å; V118-W185 HydrophobicContact CG1-CE3 3.65Å; V118-W185 HydrophobicContact CG1-CH2 3.65Å; V118-W185 HydrophobicContact CG1-CZ2 4.31Å; V118-W185 HydrophobicContact CG1-CZ3 3.25Å; V118-W185 CarbonylContact O-C 3.45Å; V118-W185 WeakPolarHBondContact O-CA 3.22Å; T169-W185 WeakPolarHBondContact CA-O 3.37Å; T169-W185 WeakPolarHBondContact CB-O 3.42Å; T169-W185 PolarHBondContact OG1-O 3.45Å; Y170-W185 HydrophobicContact CD1-CB 3.89Å; Y170-W185 HydrophobicContact CD2-CB 4.3Å; Y170-W185 HydrophobicContact CE1-CB 3.54Å; Y170-W185 AromaticContact CE1-CG 3.96Å; Y170-W185 HydrophobicContact CE1-CG 3.96Å; Y170-W185 HydrophobicContact CE2-CB 3.98Å; Y170-W185 AromaticContact CE2-CD1 3.43Å; Y170-W185 VanDerWaalsContact CE2-CD1 3.43Å; Y170-W185 AromaticContact CE2-CG 3.85Å; Y170-W185 HydrophobicContact CE2-CG 3.85Å; Y170-W185 HydrophobicContact CG-CB 4.27Å; Y170-W185 AromaticContact CZ-CD1 3.51Å; Y170-W185 AromaticContact CZ-CG 3.51Å; Y170-W185 PolarHBondContact N-O 3.42Å; Y170-W185 PolarHBondContact O-N 3.5Å; S173-W185 PolarHBondContact O-NE1 3.18Å; P175-W185 HydrophobicContact CG-CH2 4.15Å; P175-W185 HydrophobicContact CG-CZ2 4.1Å; W185-L187 HydrophobicContact CB-CD1 4.29Å |
| 186 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 106.3 | 176.5 | -53.3 | 162.6 | 0 | 0 | 0 | 107 | L21 P58 L59 V118 L119 S120 Y167 I168 | L21-I186 HydrophobicContact CD1-CD1 3.9Å; L21-I186 HydrophobicContact CD2-CD1 4.29Å; L21-I186 HydrophobicContact CD2-CG2 4.18Å; P58-I186 HydrophobicContact CG-CD1 3.92Å; P58-I186 HydrophobicContact CG-CG1 3.67Å; L59-I186 HydrophobicContact CD1-CD1 4.19Å; L59-I186 HydrophobicContact CD2-CD1 4.02Å; L59-I186 HydrophobicContact CG-CD1 4.15Å; V118-I186 PolarHBondContact O-N 3.03Å; L119-I186 CarbonylContact C-O 3.54Å; L119-I186 WeakPolarHBondContact CA-O 3.4Å; L119-I186 HydrophobicContact CD1-CB 4Å; L119-I186 HydrophobicContact CD1-CG2 3.83Å; S120-I186 PolarHBondContact N-O 3.05Å; Y167-I186 HydrophobicContact CD1-CG2 4.47Å; Y167-I186 HydrophobicContact CD2-CG2 3.76Å; Y167-I186 HydrophobicContact CE2-CG2 4.5Å; Y167-I186 HydrophobicContact CG-CG2 3.76Å; I168-I186 CarbonylContact O-C 3.2Å; I168-I186 WeakPolarHBondContact O-CA 3.29Å |
| 187 | L | 98.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.5 | 175.9 | -81.2 | 78.5 | 0 | 0 | 0 | 109.3 | I7 H82 S120 Y167 I168 Y170 W185 | I7-L187 HydrophobicContact CD1-CD1 4.27Å; I7-L187 HydrophobicContact CD1-CD2 3.28Å; I7-L187 HydrophobicContact CD1-CG 4.2Å; H82-L187 HydrophobicContact CB-CD2 3.66Å; S120-L187 WeakPolarHBondContact O-CA 3.37Å; Y167-L187 CarbonylContact C-O 3.46Å; Y167-L187 WeakPolarHBondContact CA-O 3.47Å; Y167-L187 VanDerWaalsContact CB-O 3.22Å; Y167-L187 WeakPolarHBondContact CB-O 3.34Å; I168-L187 HydrophobicContact CB-CB 4.42Å; I168-L187 PolarHBondContact N-O 2.87Å; I168-L187 PolarHBondContact O-N 2.91Å; Y170-L187 HydrophobicContact CD1-CD1 4.49Å; Y170-L187 HydrophobicContact CE1-CD1 3.9Å; W185-L187 HydrophobicContact CB-CD1 4.29Å |
| 188 | L | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.5 | 176.7 | -63.8 | -173 | 0 | 0 | 0 | 111.1 | L119 S120 V121 P162 T164 Q190 Y252 | L119-L188 HydrophobicContact CD1-CD1 4.09Å; L119-L188 HydrophobicContact CD1-CD2 3.62Å; L119-L188 HydrophobicContact CD1-CG 3.62Å; L119-L188 HydrophobicContact CD2-CD1 4.29Å; L119-L188 HydrophobicContact CG-CD1 4.41Å; L119-L188 HydrophobicContact CG-CG 4.32Å; S120-L188 PolarHBondContact O-N 3.48Å; V121-L188 HydrophobicContact CG2-CD1 3.91Å; V121-L188 HydrophobicContact CG2-CG 4.32Å; P162-L188 HydrophobicContact CG-CB 4.16Å; P162-L188 HydrophobicContact CG-CD1 3.73Å; T164-L188 HydrophobicContact CG2-CD1 4.26Å; T164-L188 HydrophobicContact CG2-CD2 4.39Å; L188-Q190 PolarHBondContact O-N 2.86Å; L188-Y252 PolarHBondContact O-OH 3.06Å |
| 189 | N | 95.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -68.9 | -23 | -175.5 | -173.2 | 37.9 | 0 | 0 | 0 | 113.1 | Q166 I235 Y252 | Q166-N189 HydrophobicContact CB-CB 3.73Å; Q166-N189 VanDerWaalsContact O-CB 3.28Å; Q166-N189 WeakPolarHBondContact O-CB 3.38Å; Q166-N189 PolarHBondContact O-N 2.72Å; Q166-N189 PolarHBondContact OE1-ND2 3.04Å; N189-I235 HydrophobicContact CB-CD1 3.89Å; N189-I235 VanDerWaalsContact CG-CD1 3.44Å; N189-I235 WeakPolarHBondContact OD1-CD1 3.38Å; N189-Y252 WeakPolarHBondContact O-CE2 3.19Å; N189-Y252 VanDerWaalsContact O-CZ 3.25Å; N189-Y252 PolarHBondContact O-OH 3Å |
| 190 | Q | 95.7 | Very high | 97.1 | Very high | 90 Ų | 90 | 34.4 Ų | 34.4 | 42% | 0.421 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -105.2 | 129 | -177.5 | -73 | -180 | -6.2 | 0 | 0 | 110.4 | P162 L188 | P162-Q190 HydrophobicContact CB-CB 3.81Å; P162-Q190 HydrophobicContact CG-CB 4.37Å; P162-Q190 WeakPolarHBondContact CG-O 3.45Å; L188-Q190 PolarHBondContact O-N 2.86Å |
| 191 | P | 96.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 152.1 | 171.4 | 32.3 | -35.3 | 0 | 0 | 0 | 111.4 | L122 K124 Y252 | L122-P191 HydrophobicContact CB-CB 4.46Å; L122-P191 CarbonylContact O-C 3.55Å; L122-P191 WeakPolarHBondContact O-CA 3.39Å; L122-P191 VanDerWaalsContact O-CB 3.23Å; L122-P191 WeakPolarHBondContact O-CB 3.46Å; K124-P191 HydrophobicContact CB-CB 4.3Å; K124-P191 HydrophobicContact CB-CG 4.42Å; K124-P191 HydrophobicContact CD-CB 4.36Å; K124-P191 HydrophobicContact CD-CG 3.72Å; K124-P191 HydrophobicContact CG-CB 4.13Å; K124-P191 HydrophobicContact CG-CG 4.05Å; P191-Y252 HydrophobicContact CB-CE1 4.43Å; P191-Y252 HydrophobicContact CG-CE1 4.27Å |
| 192 | I | 96.9 | Very high | 97.3 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 150.9 | 172.3 | 56.8 | 180 | 0 | 0 | 0 | 110.9 | L93 V121 L122 F123 K124 L133 V160 P162 | L93-I192 HydrophobicContact CB-CD1 4.49Å; L93-I192 HydrophobicContact CD2-CD1 4.23Å; V121-I192 HydrophobicContact CB-CD1 4.46Å; V121-I192 HydrophobicContact CG1-CB 4.29Å; V121-I192 HydrophobicContact CG1-CD1 3.89Å; V121-I192 HydrophobicContact CG1-CG1 3.79Å; V121-I192 HydrophobicContact CG1-CG2 3.71Å; L122-I192 PolarHBondContact O-N 3.25Å; F123-I192 CarbonylContact C-O 3.47Å; F123-I192 VanDerWaalsContact CA-O 3.27Å; F123-I192 WeakPolarHBondContact CA-O 3.21Å; F123-I192 HydrophobicContact CD1-CD1 3.76Å; F123-I192 HydrophobicContact CD1-CG1 3.5Å; F123-I192 VanDerWaalsContact CD1-CG1 3.5Å; F123-I192 HydrophobicContact CD2-CD1 4.37Å; F123-I192 HydrophobicContact CD2-CG1 4.38Å; F123-I192 HydrophobicContact CE1-CD1 3.32Å; F123-I192 HydrophobicContact CE1-CG1 3.65Å; F123-I192 HydrophobicContact CE2-CD1 4.03Å; F123-I192 HydrophobicContact CG-CD1 4.3Å; F123-I192 HydrophobicContact CG-CG1 3.94Å; F123-I192 HydrophobicContact CZ-CD1 3.5Å; F123-I192 VanDerWaalsContact CZ-CD1 3.5Å; F123-I192 HydrophobicContact CZ-CG1 4.19Å; K124-I192 PolarHBondContact N-O 3.4Å; L133-I192 HydrophobicContact CD2-CD1 4.32Å; V160-I192 WeakPolarHBondContact O-CG2 3.42Å; P162-I192 HydrophobicContact CB-CG2 4.06Å; P162-I192 HydrophobicContact CG-CG2 3.85Å |
| 193 | V | 97.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.5 | -177.2 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | K124 Q128 S129 L133 | K124-V193 HydrophobicContact CG-CG2 4.23Å; K124-V193 WeakPolarHBondContact O-CA 3.46Å; Q128-V193 WeakPolarHBondContact O-CB 3.49Å; Q128-V193 WeakPolarHBondContact O-CG1 3.5Å; S129-V193 WeakPolarHBondContact CB-O 3.41Å; L133-V193 VanDerWaalsContact CD2-O 3.27Å; L133-V193 WeakPolarHBondContact CD2-O 3.26Å |
| 194 | I | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142.3 | 166.8 | -169.5 | 164.6 | 0 | 0 | 0 | 109.2 | F123 K124 I125 G126 L137 Q198 L199 L202 | F123-I194 HydrophobicContact CB-CG2 3.81Å; F123-I194 HydrophobicContact CD1-CB 3.63Å; F123-I194 HydrophobicContact CD1-CD1 4.2Å; F123-I194 HydrophobicContact CD1-CG1 4.47Å; F123-I194 HydrophobicContact CD1-CG2 3.86Å; F123-I194 HydrophobicContact CE1-CB 4.23Å; F123-I194 HydrophobicContact CE1-CD1 4.23Å; F123-I194 HydrophobicContact CG-CB 4.45Å; F123-I194 HydrophobicContact CG-CG2 4.2Å; K124-I194 PolarHBondContact O-N 2.83Å; I125-I194 WeakPolarHBondContact CA-O 3.04Å; I125-I194 HydrophobicContact CD1-CG2 4.37Å; G126-I194 PolarHBondContact N-O 3.37Å; G126-I194 VanDerWaalsContact N-O 3.12Å; L137-I194 HydrophobicContact CD1-CD1 3.86Å; L137-I194 HydrophobicContact CD1-CG1 4.12Å; I194-Q198 HydrophobicContact CD1-CB 4.17Å; I194-Q198 HydrophobicContact CG1-CB 3.69Å; I194-L199 HydrophobicContact CD1-CD2 3.74Å; I194-L199 HydrophobicContact CD1-CG 3.76Å; I194-L199 HydrophobicContact CG1-CG 4.02Å; I194-L199 HydrophobicContact CG2-CD1 3.92Å; I194-L199 HydrophobicContact CG2-CD2 4.38Å; I194-L199 HydrophobicContact CG2-CG 4.01Å; I194-L202 HydrophobicContact CD1-CD1 4.11Å |
| 195 | T | 98 | Very high | 97.4 | Very high | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | trans | -82.6 | 156.1 | 176.1 | 68 | 0 | 0 | 0 | 0 | 111.3 | G126 D127 T197 Q198 L199 | G126-T195 WeakPolarHBondContact O-CA 3.16Å; D127-T195 WeakPolarHBondContact O-CG2 3.41Å; T195-T197 PolarHBondContact O-N 2.89Å; T195-Q198 PolarHBondContact O-N 3.2Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.19Å; T195-Q198 VanDerWaalsContact OG1-CD 3.31Å; T195-Q198 VanDerWaalsContact OG1-CG 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.31Å; T195-Q198 PolarHBondContact OG1-N 2.79Å; T195-Q198 VanDerWaalsContact OG1-N 3.12Å; T195-Q198 PolarHBondContact OG1-OE1 2.93Å; T195-Q198 VanDerWaalsContact OG1-OE1 3.05Å; T195-L199 PolarHBondContact O-N 2.77Å; T195-L199 VanDerWaalsContact O-N 3.08Å | ||
| 196 | E | 97.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 28% | 0.276 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.4 | -33.2 | 174.4 | -172.5 | 59.8 | -141.2 | 0 | 0 | 111.6 | S76 L199 K200 R203 | S76-E196 VanDerWaalsContact OG-CD 3.26Å; S76-E196 PolarHBondContact OG-OE1 2.84Å; S76-E196 PolarHBondContact OG-OE2 2.93Å; E196-L199 PolarHBondContact O-N 2.94Å; E196-K200 HydrophobicContact CG-CD 4.38Å; E196-K200 WeakPolarHBondContact O-CB 3.06Å; E196-K200 VanDerWaalsContact O-CG 3.27Å; E196-K200 WeakPolarHBondContact O-CG 3.28Å; E196-K200 PolarHBondContact O-N 2.93Å; E196-R203 IonicContact OE1-CZ 2.78Å; E196-R203 IonicContact OE1-NH1 3.8Å; E196-R203 PolarHBondContact OE1-NH1 2.88Å |
| 197 | T | 97.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 37.1 Ų | 37.1 | 60% | 0.601 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63.9 | -47 | 175.6 | -59 | 0 | 0 | 0 | 0 | 111.3 | T195 L199 K200 S201 | T195-T197 PolarHBondContact O-N 2.89Å; T197-L199 PolarHBondContact O-N 3.17Å; T197-K200 WeakPolarHBondContact O-CB 3.31Å; T197-K200 PolarHBondContact O-N 3.19Å; T197-S201 PolarHBondContact O-N 2.77Å; T197-S201 PolarHBondContact O-OG 2.85Å |
| 198 | Q | 97.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.9 | -77.6 | 165 | -27.4 | 0 | 0 | 112.5 | S129 L137 I194 T195 S201 L202 | S129-Q198 PolarHBondContact OG-NE2 3.34Å; L137-Q198 HydrophobicContact CD1-CB 3.93Å; L137-Q198 HydrophobicContact CD1-CG 3.99Å; I194-Q198 HydrophobicContact CD1-CB 4.17Å; I194-Q198 HydrophobicContact CG1-CB 3.69Å; T195-Q198 PolarHBondContact O-N 3.2Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.19Å; T195-Q198 VanDerWaalsContact OG1-CD 3.31Å; T195-Q198 VanDerWaalsContact OG1-CG 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.31Å; T195-Q198 PolarHBondContact OG1-N 2.79Å; T195-Q198 VanDerWaalsContact OG1-N 3.12Å; T195-Q198 PolarHBondContact OG1-OE1 2.93Å; T195-Q198 VanDerWaalsContact OG1-OE1 3.05Å; Q198-S201 WeakPolarHBondContact O-CB 3.43Å; Q198-S201 PolarHBondContact O-N 3.47Å; Q198-L202 PolarHBondContact O-N 2.89Å |
| 199 | L | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 173.6 | -79.2 | 169.7 | 0 | 0 | 0 | 112.3 | F72 P90 A91 I125 I194 T195 E196 T197 S201 L202 R203 | F72-L199 HydrophobicContact CB-CD2 4.42Å; P90-L199 HydrophobicContact CB-CD1 3.61Å; P90-L199 HydrophobicContact CB-CD2 4.33Å; P90-L199 HydrophobicContact CG-CD1 4.4Å; A91-L199 HydrophobicContact CB-CD2 4.13Å; I125-L199 HydrophobicContact CD1-CD1 3.15Å; I194-L199 HydrophobicContact CD1-CD2 3.74Å; I194-L199 HydrophobicContact CD1-CG 3.76Å; I194-L199 HydrophobicContact CG1-CG 4.02Å; I194-L199 HydrophobicContact CG2-CD1 3.92Å; I194-L199 HydrophobicContact CG2-CD2 4.38Å; I194-L199 HydrophobicContact CG2-CG 4.01Å; T195-L199 PolarHBondContact O-N 2.77Å; T195-L199 VanDerWaalsContact O-N 3.08Å; E196-L199 PolarHBondContact O-N 2.94Å; T197-L199 PolarHBondContact O-N 3.17Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 2.94Å; L199-L202 HydrophobicContact CD2-CD1 4.49Å; L199-L202 PolarHBondContact O-N 2.78Å; L199-R203 VanDerWaalsContact O-CG 3.24Å; L199-R203 WeakPolarHBondContact O-CG 3.23Å; L199-R203 PolarHBondContact O-N 3.03Å |
| 200 | K | 96.9 | Very high | 97.3 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.8 | -39.9 | 174.8 | -77.1 | 169.7 | 178.8 | 171.7 | 0 | 111.5 | E196 T197 R203 Q204 | E196-K200 HydrophobicContact CG-CD 4.38Å; E196-K200 WeakPolarHBondContact O-CB 3.06Å; E196-K200 VanDerWaalsContact O-CG 3.27Å; E196-K200 WeakPolarHBondContact O-CG 3.28Å; E196-K200 PolarHBondContact O-N 2.93Å; T197-K200 WeakPolarHBondContact O-CB 3.31Å; T197-K200 PolarHBondContact O-N 3.19Å; K200-R203 PolarHBondContact O-N 3.3Å; K200-Q204 WeakPolarHBondContact O-CG 3.28Å; K200-Q204 PolarHBondContact O-N 2.92Å; K200-Q204 PolarHBondContact O-NE2 3.47Å |
| 201 | S | 96.6 | Very high | 97.2 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 174.2 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | E141 T197 Q198 L199 R203 Q204 | E141-S201 WeakPolarHBondContact OE1-CB 3.32Å; E141-S201 PolarHBondContact OE1-OG 3.44Å; T197-S201 PolarHBondContact O-N 2.77Å; T197-S201 PolarHBondContact O-OG 2.85Å; Q198-S201 WeakPolarHBondContact O-CB 3.43Å; Q198-S201 PolarHBondContact O-N 3.47Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 2.94Å; S201-R203 VanDerWaalsContact C-N 3.28Å; S201-R203 PolarHBondContact O-N 3.34Å; S201-Q204 WeakPolarHBondContact O-CB 3.49Å; S201-Q204 PolarHBondContact O-N 3.24Å |
| 202 | L | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 174.8 | -71.2 | 177.9 | 0 | 0 | 0 | 112 | L41 I70 F72 L137 A140 I194 Q198 L199 Q204 L205 | L41-L202 HydrophobicContact CD2-CD2 3.72Å; I70-L202 HydrophobicContact CG2-CD1 4.33Å; F72-L202 HydrophobicContact CB-CD1 4.45Å; F72-L202 HydrophobicContact CD1-CB 4.38Å; F72-L202 HydrophobicContact CD1-CD1 4.23Å; F72-L202 HydrophobicContact CD2-CB 3.89Å; F72-L202 HydrophobicContact CE1-CB 4.33Å; F72-L202 HydrophobicContact CE2-CB 3.8Å; F72-L202 VanDerWaalsContact CE2-O 3.31Å; F72-L202 WeakPolarHBondContact CE2-O 3.23Å; F72-L202 HydrophobicContact CG-CB 4.18Å; F72-L202 HydrophobicContact CG-CD1 4.23Å; F72-L202 HydrophobicContact CZ-CB 4.04Å; F72-L202 WeakPolarHBondContact CZ-O 3.33Å; L137-L202 HydrophobicContact CD2-CD1 3.92Å; L137-L202 HydrophobicContact CD2-CD2 3.91Å; L137-L202 HydrophobicContact CD2-CG 4.15Å; A140-L202 HydrophobicContact CB-CD2 4.05Å; I194-L202 HydrophobicContact CD1-CD1 4.11Å; Q198-L202 PolarHBondContact O-N 2.89Å; L199-L202 HydrophobicContact CD2-CD1 4.49Å; L199-L202 PolarHBondContact O-N 2.78Å; L202-Q204 PolarHBondContact O-N 3.48Å; L202-Q204 VanDerWaalsContact O-N 3.11Å; L202-L205 HydrophobicContact CD2-CD1 4.17Å; L202-L205 VanDerWaalsContact O-CB 3.28Å; L202-L205 WeakPolarHBondContact O-CB 3.38Å; L202-L205 VanDerWaalsContact O-CG 3.23Å; L202-L205 WeakPolarHBondContact O-CG 3.49Å; L202-L205 PolarHBondContact O-N 3.24Å; L202-L205 VanDerWaalsContact O-N 3.08Å |
| 203 | R | 96.9 | Very high | 97 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.8 | 176.2 | -65 | 164.8 | -172.7 | 151.7 | 3.1 | 113.7 | F72 G73 S74 R75 S76 E196 L199 K200 S201 S215 | F72-R203 HydrophobicContact CD2-CG 4.43Å; G73-R203 PolarHBondContact O-NE 3.13Å; S74-R203 PolarHBondContact O-NE 3.1Å; R75-R203 PolarHBondContact O-NH2 2.93Å; S76-R203 VanDerWaalsContact N-NH2 3.18Å; S76-R203 PolarHBondContact OG-NH2 3.06Å; E196-R203 IonicContact OE1-CZ 2.78Å; E196-R203 IonicContact OE1-NH1 3.8Å; E196-R203 PolarHBondContact OE1-NH1 2.88Å; L199-R203 VanDerWaalsContact O-CG 3.24Å; L199-R203 WeakPolarHBondContact O-CG 3.23Å; L199-R203 PolarHBondContact O-N 3.03Å; K200-R203 PolarHBondContact O-N 3.3Å; S201-R203 VanDerWaalsContact C-N 3.28Å; S201-R203 PolarHBondContact O-N 3.34Å; R203-S215 VanDerWaalsContact O-CB 3.24Å; R203-S215 WeakPolarHBondContact O-CB 3.42Å; R203-S215 PolarHBondContact O-OG 3.47Å |
| 204 | Q | 96.7 | Very high | 97 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.9 | 172.4 | -60.4 | -47.1 | -51.8 | 0 | 0 | 114 | K200 S201 L202 R206 | K200-Q204 WeakPolarHBondContact O-CG 3.28Å; K200-Q204 PolarHBondContact O-N 2.92Å; K200-Q204 PolarHBondContact O-NE2 3.47Å; S201-Q204 WeakPolarHBondContact O-CB 3.49Å; S201-Q204 PolarHBondContact O-N 3.24Å; L202-Q204 PolarHBondContact O-N 3.48Å; L202-Q204 VanDerWaalsContact O-N 3.11Å; Q204-R206 PolarHBondContact O-NE 2.7Å |
| 205 | L | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | trans | -56.8 | 148.1 | 172.3 | -64.6 | 176 | 0 | 0 | 0 | 109.7 | L41 F72 A140 V143 Q144 L202 S215 M216 | L41-L205 HydrophobicContact CB-CD1 4.15Å; L41-L205 HydrophobicContact CD1-CD1 3.94Å; L41-L205 HydrophobicContact CD2-CD1 4.29Å; L41-L205 HydrophobicContact CG-CD1 4.37Å; F72-L205 HydrophobicContact CE1-CD1 4.34Å; F72-L205 HydrophobicContact CZ-CD1 3.95Å; A140-L205 WeakPolarHBondContact O-CD2 3.39Å; V143-L205 WeakPolarHBondContact O-CD2 3.37Å; Q144-L205 CarbonylContact O-C 3.46Å; L202-L205 HydrophobicContact CD2-CD1 4.17Å; L202-L205 VanDerWaalsContact O-CB 3.28Å; L202-L205 WeakPolarHBondContact O-CB 3.38Å; L202-L205 VanDerWaalsContact O-CG 3.23Å; L202-L205 WeakPolarHBondContact O-CG 3.49Å; L202-L205 PolarHBondContact O-N 3.24Å; L202-L205 VanDerWaalsContact O-N 3.08Å; L205-S215 CarbonylContact O-C 3.02Å; L205-S215 VanDerWaalsContact O-CA 3.26Å; L205-S215 WeakPolarHBondContact O-CA 3.43Å; L205-M216 HydrophobicContact CB-CB 3.9Å; L205-M216 HydrophobicContact CB-SD 4.27Å; L205-M216 HydrophobicContact CD1-SD 4.01Å; L205-M216 PolarHBondContact O-N 2.96Å | ||
| 206 | R | 98.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 18% | 0.181 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -116.1 | 144.3 | -173.4 | -57.6 | -64.4 | 153.2 | 174.1 | -5.4 | 111.7 | N36 Q144 L145 Q204 A208 S213 G214 S215 | N36-R206 PolarHBondContact ND2-O 3.4Å; N36-R206 PolarHBondContact OD1-O 2.77Å; Q144-R206 WeakPolarHBondContact O-CB 3.07Å; Q144-R206 PolarHBondContact O-N 2.84Å; L145-R206 HydrophobicContact CD2-CB 4.03Å; L145-R206 HydrophobicContact CD2-CG 3.81Å; Q204-R206 PolarHBondContact O-NE 2.7Å; R206-A208 VanDerWaalsContact C-N 3.31Å; R206-A208 PolarHBondContact O-N 2.89Å; R206-S213 PolarHBondContact NH1-O 3.05Å; R206-G214 WeakPolarHBondContact CA-O 3.34Å; R206-S215 PolarHBondContact NH1-OG 3.2Å |
| 207 | I | 97.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 41% | 0.41 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -80.1 | -12 | -179 | 70.3 | 179.4 | 0 | 0 | 0 | 113.5 | G38 K146 G214 M216 | G38-I207 WeakPolarHBondContact O-CA 3.38Å; G38-I207 WeakPolarHBondContact O-CB 3.16Å; G38-I207 WeakPolarHBondContact O-CG2 3.44Å; K146-I207 VanDerWaalsContact CD-O 3.28Å; K146-I207 WeakPolarHBondContact CD-O 3.28Å; I207-G214 WeakPolarHBondContact CG1-O 3.34Å; I207-G214 PolarHBondContact N-O 2.88Å; I207-M216 HydrophobicContact CG2-CB 4.19Å |
| 208 | A | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -132.3 | 167.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K146 R206 F210 S213 | K146-A208 VanDerWaalsContact CB-C 3.48Å; K146-A208 PolarHBondContact N-O 3.25Å; R206-A208 VanDerWaalsContact C-N 3.31Å; R206-A208 PolarHBondContact O-N 2.89Å; A208-F210 HydrophobicContact CB-CD1 3.93Å; A208-F210 HydrophobicContact CB-CE1 3.56Å; A208-F210 HydrophobicContact CB-CZ 4.08Å; A208-F210 PolarHBondContact O-N 3.46Å; A208-S213 VanDerWaalsContact CB-CB 3.47Å; A208-S213 PolarHBondContact N-OG 2.96Å |
| 209 | P | 97.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72 | 13.4 | -175.1 | -18.3 | 33 | 0 | 0 | 0 | 115.1 | K146 | K146-P209 HydrophobicContact CB-CG 4.4Š|
| 210 | F | 96.7 | Very high | 96.2 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 54% | 0.544 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -139.4 | 147.1 | -176.7 | 60.9 | -90 | 0 | 0 | 0 | 111.4 | A208 G212 S213 | A208-F210 HydrophobicContact CB-CD1 3.93Å; A208-F210 HydrophobicContact CB-CE1 3.56Å; A208-F210 HydrophobicContact CB-CZ 4.08Å; A208-F210 PolarHBondContact O-N 3.46Å; F210-G212 VanDerWaalsContact C-N 3.33Å; F210-G212 PolarHBondContact O-N 3.46Å; F210-S213 WeakPolarHBondContact O-CB 3.49Å; F210-S213 PolarHBondContact O-N 3.41Å; F210-S213 PolarHBondContact O-OG 2.79Å |
| 211 | R | 93.1 | Very high | 96.1 | Very high | 193 Ų | 193 | 52.5 Ų | 52.5 | 73% | 0.728 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.9 | -170 | -69.8 | -174.8 | -179.3 | -140 | 0.5 | 114.6 | L145 S213 | L145-R211 HydrophobicContact CD2-CG 4.05Å; R211-S213 PolarHBondContact O-N 2.83Å |
| 212 | G | 94.3 | Very high | 96 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 1.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F210 | F210-G212 VanDerWaalsContact C-N 3.33Å; F210-G212 PolarHBondContact O-N 3.46Å |
| 213 | S | 96 | Very high | 95.9 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -79.6 | 166.3 | 176.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | R206 A208 F210 R211 | R206-S213 PolarHBondContact NH1-O 3.05Å; A208-S213 VanDerWaalsContact CB-CB 3.47Å; A208-S213 PolarHBondContact N-OG 2.96Å; F210-S213 WeakPolarHBondContact O-CB 3.49Å; F210-S213 PolarHBondContact O-N 3.41Å; F210-S213 PolarHBondContact O-OG 2.79Å; R211-S213 PolarHBondContact O-N 2.83Å |
| 214 | G | 95.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 146.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R206 I207 | R206-G214 WeakPolarHBondContact CA-O 3.34Å; I207-G214 WeakPolarHBondContact CG1-O 3.34Å; I207-G214 PolarHBondContact N-O 2.88Å |
| 215 | S | 95.6 | Very high | 95.7 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -67 | 141.4 | 169.6 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | R203 L205 R206 A217 | R203-S215 VanDerWaalsContact O-CB 3.24Å; R203-S215 WeakPolarHBondContact O-CB 3.42Å; R203-S215 PolarHBondContact O-OG 3.47Å; L205-S215 CarbonylContact O-C 3.02Å; L205-S215 VanDerWaalsContact O-CA 3.26Å; L205-S215 WeakPolarHBondContact O-CA 3.43Å; R206-S215 PolarHBondContact NH1-OG 3.2Å; S215-A217 PolarHBondContact O-N 2.89Å |
| 216 | M | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | trans | -70.6 | 114.3 | 162.6 | -177.9 | -171.6 | -64.3 | 0 | 0 | 106.8 | N36 D40 F72 L205 I207 | N36-M216 WeakPolarHBondContact OD1-CE 3.32Å; D40-M216 VanDerWaalsContact C-SD 3.56Å; F72-M216 HydrophobicContact CE1-CG 4.39Å; F72-M216 HydrophobicContact CE1-SD 3.94Å; F72-M216 HydrophobicContact CE2-CG 4.47Å; F72-M216 WeakPolarHBondContact CE2-O 3.38Å; F72-M216 HydrophobicContact CZ-CB 4.27Å; F72-M216 HydrophobicContact CZ-CG 3.73Å; F72-M216 HydrophobicContact CZ-SD 3.68Å; L205-M216 HydrophobicContact CB-CB 3.9Å; L205-M216 HydrophobicContact CB-SD 4.27Å; L205-M216 HydrophobicContact CD1-SD 4.01Å; L205-M216 PolarHBondContact O-N 2.96Å; I207-M216 HydrophobicContact CG2-CB 4.19Å | ||
| 217 | A | 93.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | trans | -163 | 159.5 | 173 | 0 | 0 | 0 | 0 | 0 | 107.6 | S215 N219 | S215-A217 PolarHBondContact O-N 2.89Å; A217-N219 PolarHBondContact O-N 2.79Å | ||
| 218 | D | 95.5 | Very high | 94.3 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | trans | 56.3 | 37 | -177 | -58.1 | -34.7 | 0 | 0 | 0 | 112.1 | F72 G73 S74 Y220 | F72-D218 PolarHBondContact O-N 3.11Å; G73-D218 VanDerWaalsContact CA-OD1 3.29Å; G73-D218 WeakPolarHBondContact CA-OD1 3.43Å; S74-D218 VanDerWaalsContact CB-OD2 3.3Å; S74-D218 WeakPolarHBondContact CB-OD2 3.16Å; S74-D218 PolarHBondContact N-OD1 3.37Å; S74-D218 VanDerWaalsContact OG-CG 3.24Å; S74-D218 PolarHBondContact OG-OD1 2.9Å; S74-D218 VanDerWaalsContact OG-OD1 3.08Å; S74-D218 PolarHBondContact OG-OD2 2.86Å; D218-Y220 HydrophobicContact CB-CD1 4.32Å; D218-Y220 HydrophobicContact CB-CE1 3.74Å; D218-Y220 PolarHBondContact O-N 3.01Å; D218-Y220 VanDerWaalsContact O-N 3.13Å; D218-Y220 WeakPolarHBondContact OD1-CE1 3.49Å | ||
| 219 | N | 95.2 | Very high | 93.9 | Very high | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | -78.7 | 15.7 | 178.3 | 70.7 | -33.2 | 0 | 0 | 0 | 113.7 | Q39 D40 I70 K71 F72 A217 | Q39-N219 WeakPolarHBondContact O-CB 3.29Å; D40-N219 PolarHBondContact OD1-ND2 3.12Å; I70-N219 PolarHBondContact O-ND2 3.41Å; I70-N219 VanDerWaalsContact O-ND2 3.11Å; K71-N219 VanDerWaalsContact CA-OD1 3.31Å; K71-N219 WeakPolarHBondContact CA-OD1 3.42Å; K71-N219 WeakPolarHBondContact CD-O 3.28Å; K71-N219 PolarHBondContact NZ-O 2.95Å; F72-N219 PolarHBondContact N-OD1 3.25Å; F72-N219 PolarHBondContact O-OD1 2.96Å; A217-N219 PolarHBondContact O-N 2.79Å | ||
| 220 | Y | 94.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 21% | 0.212 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 154.1 | 176.2 | 61 | -98 | 0 | 0 | 0 | 111.6 | R78 D81 D218 | R78-Y220 HydrophobicContact CB-CE1 4.42Å; R78-Y220 HydrophobicContact CG-CE1 4.5Å; D81-Y220 WeakPolarHBondContact OD1-CA 3.13Å; D81-Y220 WeakPolarHBondContact OD1-CB 3.29Å; D218-Y220 HydrophobicContact CB-CD1 4.32Å; D218-Y220 HydrophobicContact CB-CE1 3.74Å; D218-Y220 PolarHBondContact O-N 3.01Å; D218-Y220 VanDerWaalsContact O-N 3.13Å; D218-Y220 WeakPolarHBondContact OD1-CE1 3.49Å |
| 221 | R | 94.8 | Very high | 93.7 | Very high | 51 Ų | 51 | 66.9 Ų | 66.9 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 143.6 | 171 | -176.3 | 173.6 | 174 | 177.4 | 1.1 | 110.2 | S3 P4 D81 L174 P175 C179 | S3-R221 WeakPolarHBondContact O-CD 3.45Å; S3-R221 PolarHBondContact O-NE 2.85Å; S3-R221 PolarHBondContact O-NH1 3.15Å; P4-R221 HydrophobicContact CG-CB 4.47Å; D81-R221 PolarHBondContact OD1-N 2.92Å; L174-R221 PolarHBondContact O-NH1 2.97Å; P175-R221 HydrophobicContact CB-CB 4.2Å; P175-R221 WeakPolarHBondContact O-CD 3.21Å; C179-R221 PolarHBondContact SG-NH1 3.09Å |
| 222 | T | 93.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 148 | 173.9 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | Q224 | T222-Q224 PolarHBondContact O-NE2 2.89Š|
| 223 | I | 96 | Very high | 94.1 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 35% | 0.349 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 141.4 | 176.3 | 60.6 | 172.2 | 0 | 0 | 0 | 111.3 | R83 | R83-I223 HydrophobicContact CG-CG2 3.89Š|
| 224 | Q | 96 | Very high | 94.1 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -102.7 | 159.4 | 178.1 | -52.2 | -62.5 | -58.9 | 0 | 0 | 109.6 | Q2 S3 P4 T222 L226 | Q2-Q224 HydrophobicContact CB-CB 4.03Å; Q2-Q224 HydrophobicContact CB-CG 3.86Å; S3-Q224 WeakPolarHBondContact O-CG 3.27Å; P4-Q224 WeakPolarHBondContact O-CB 3.45Å; P4-Q224 WeakPolarHBondContact O-CG 3.38Å; P4-Q224 PolarHBondContact O-N 3.38Å; T222-Q224 PolarHBondContact O-NE2 2.89Å; Q224-L226 PolarHBondContact O-N 2.86Å |
| 225 | K | 94 | Very high | 94 | Very high | 170 Ų | 170 | 57.1 Ų | 57.1 | 74% | 0.739 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 137.7 | 178.2 | -65.5 | -178.4 | -179.9 | 179.5 | 0 | 110.4 | N227 | K225-N227 WeakPolarHBondContact CB-OD1 3.19Å; K225-N227 PolarHBondContact O-N 3.49Å |
| 226 | L | 89.7 | Confident | 93.7 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | trans | -62.6 | -34.7 | 174.5 | -175 | 65.6 | 0 | 0 | 0 | 111.8 | I5 Q224 R229 V231 | I5-L226 HydrophobicContact CD1-CD1 3.75Å; Q224-L226 PolarHBondContact O-N 2.86Å; L226-R229 HydrophobicContact CD1-CB 4.29Å; L226-R229 VanDerWaalsContact O-CB 3.23Å; L226-R229 WeakPolarHBondContact O-CB 3.32Å; L226-R229 PolarHBondContact O-N 3.09Å; L226-V231 HydrophobicContact CD1-CG2 3.7Å | ||
| 227 | N | 89.5 | Confident | 92.9 | Very high | 102 Ų | 102 | 61.7 Ų | 61.7 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -137.7 | -170.6 | -55.6 | -39.5 | 0 | 0 | 0 | 110 | K225 R229 | K225-N227 WeakPolarHBondContact CB-OD1 3.19Å; K225-N227 PolarHBondContact O-N 3.49Å; N227-R229 VanDerWaalsContact C-N 3.33Å |
| 228 | N | 85.7 | Confident | 92 | Very high | 165 Ų | 165 | 69.6 Ų | 69.6 | 88% | 0.882 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 26.4 | 178.3 | -64.1 | -20.2 | 0 | 0 | 0 | 112.7 | ||
| 229 | R | 89.3 | Confident | 90.3 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | trans | -74.6 | 128.6 | -177.9 | -171.9 | -173.6 | -65.8 | 166.7 | -12.9 | 111.2 | M1 Q2 I5 Q171 L226 N227 V231 | M1-R229 HydrophobicContact CE-CB 4.11Å; M1-R229 HydrophobicContact CE-CG 3.75Å; M1-R229 PolarHBondContact O-NH2 2.77Å; M1-R229 HydrophobicContact SD-CB 3.58Å; M1-R229 VanDerWaalsContact SD-CB 3.58Å; M1-R229 HydrophobicContact SD-CG 3.9Å; Q2-R229 PolarHBondContact O-NH1 3.24Å; Q2-R229 PolarHBondContact O-NH2 2.6Å; I5-R229 VanDerWaalsContact CG2-NH1 3.27Å; Q171-R229 VanDerWaalsContact O-CD 3.31Å; Q171-R229 WeakPolarHBondContact O-CD 3.23Å; Q171-R229 PolarHBondContact O-NE 2.72Å; Q171-R229 PolarHBondContact O-NH2 3.17Å; L226-R229 HydrophobicContact CD1-CB 4.29Å; L226-R229 VanDerWaalsContact O-CB 3.23Å; L226-R229 WeakPolarHBondContact O-CB 3.32Å; L226-R229 PolarHBondContact O-N 3.09Å; N227-R229 VanDerWaalsContact C-N 3.33Å; R229-V231 PolarHBondContact O-N 2.65Å | ||
| 230 | S | 92.6 | Very high | 88 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | trans | -71 | 123.9 | 165.6 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 231 | V | 96.9 | Very high | 85.4 | Confident | 12 Ų | 12 | 80 Ų | 80 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | trans | -106.6 | 116.5 | 169.5 | -174.3 | 0 | 0 | 0 | 0 | 107.2 | I5 L12 L13 I168 L226 R229 | I5-V231 HydrophobicContact CD1-CG2 3.69Å; L12-V231 HydrophobicContact CD2-CB 4.15Å; L12-V231 HydrophobicContact CD2-CG1 3.49Å; L12-V231 VanDerWaalsContact CD2-CG1 3.49Å; L13-V231 PolarHBondContact N-O 3.45Å; I168-V231 HydrophobicContact CG2-CG1 3.37Å; L226-V231 HydrophobicContact CD1-CG2 3.7Å; R229-V231 PolarHBondContact O-N 2.65Å | ||
| 232 | R | 97.4 | Very high | 82.9 | Confident | 79 Ų | 79 | 83.2 Ų | 83.2 | 30% | 0.298 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 158.4 | -173 | -60.4 | -178.1 | -65.1 | 157 | -2.6 | 111.1 | L13 D15 L18 I168 T169 | L13-R232 HydrophobicContact CB-CG 4.4Å; L13-R232 CarbonylContact O-C 3.51Å; L13-R232 WeakPolarHBondContact O-CA 3.28Å; D15-R232 HydrophobicContact CB-CB 4.35Å; D15-R232 WeakPolarHBondContact OD2-CD 3.37Å; D15-R232 IonicContact OD2-CZ 2.77Å; D15-R232 IonicContact OD2-NE 3.87Å; D15-R232 IonicContact OD2-NH1 3.97Å; D15-R232 PolarHBondContact OD2-NH1 3.33Å; L18-R232 HydrophobicContact CD1-CB 3.95Å; I168-R232 CarbonylContact C-O 3.46Å; I168-R232 WeakPolarHBondContact CA-O 3.49Å; T169-R232 HydrophobicContact CG2-CB 4Å; T169-R232 PolarHBondContact N-O 2.92Å; T169-R232 PolarHBondContact O-N 2.9Å |
| 233 | T | 98.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 152 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | L12 L13 Y14 D15 Y167 I235 F237 | L12-T233 HydrophobicContact CB-CG2 3.86Å; L12-T233 HydrophobicContact CD1-CG2 4.25Å; L12-T233 HydrophobicContact CG-CG2 4.49Å; L13-T233 PolarHBondContact O-N 3.36Å; Y14-T233 WeakPolarHBondContact CA-O 3.31Å; D15-T233 PolarHBondContact N-O 2.84Å; Y167-T233 WeakPolarHBondContact O-CA 3.32Å; Y167-T233 WeakPolarHBondContact O-CB 3.48Å; Y167-T233 PolarHBondContact O-OG1 3.35Å; T233-I235 VanDerWaalsContact C-N 3.33Å; T233-I235 HydrophobicContact CG2-CB 4.38Å; T233-I235 WeakPolarHBondContact OG1-CB 3.27Å; T233-I235 WeakPolarHBondContact OG1-CD1 3.38Å; T233-I235 VanDerWaalsContact OG1-CG1 3.31Å; T233-I235 WeakPolarHBondContact OG1-CG1 3.47Å; T233-I235 PolarHBondContact OG1-N 2.95Å; T233-I235 VanDerWaalsContact OG1-N 3.13Å; T233-F237 HydrophobicContact CG2-CE2 4.08Å |
| 234 | N | 97 | Very high | 77.3 | Confident | 24 Ų | 24 | 90.2 Ų | 90.2 | 13% | 0.128 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -92 | 6.4 | 169.3 | 70.6 | -16 | 0 | 0 | 0 | 113.1 | L18 M165 Q166 Y167 D236 | L18-N234 HydrophobicContact CB-CB 3.68Å; L18-N234 WeakPolarHBondContact O-CB 3.24Å; M165-N234 PolarHBondContact O-ND2 3.02Å; Q166-N234 WeakPolarHBondContact CA-OD1 3.19Å; Y167-N234 PolarHBondContact N-OD1 2.77Å; Y167-N234 PolarHBondContact O-OD1 2.89Å; N234-D236 PolarHBondContact O-N 2.99Å |
| 235 | I | 94.3 | Very high | 74.3 | Confident | 12 Ų | 12 | 91.8 Ų | 91.8 | 6% | 0.062 | 47% | 0.467 | C | S | . | . | trans | -82.8 | 112.2 | 178.5 | -56.8 | 163.7 | 0 | 0 | 0 | 108.8 | Y14 Q166 N189 T233 F237 | Y14-I235 WeakPolarHBondContact CD2-O 3.27Å; Q166-I235 HydrophobicContact CB-CD1 4.39Å; Q166-I235 HydrophobicContact CB-CG1 3.9Å; Q166-I235 HydrophobicContact CG-CG1 4.15Å; N189-I235 HydrophobicContact CB-CD1 3.89Å; N189-I235 VanDerWaalsContact CG-CD1 3.44Å; N189-I235 WeakPolarHBondContact OD1-CD1 3.38Å; T233-I235 VanDerWaalsContact C-N 3.33Å; T233-I235 HydrophobicContact CG2-CB 4.38Å; T233-I235 WeakPolarHBondContact OG1-CB 3.27Å; T233-I235 WeakPolarHBondContact OG1-CD1 3.38Å; T233-I235 VanDerWaalsContact OG1-CG1 3.31Å; T233-I235 WeakPolarHBondContact OG1-CG1 3.47Å; T233-I235 PolarHBondContact OG1-N 2.95Å; T233-I235 VanDerWaalsContact OG1-N 3.13Å; I235-F237 HydrophobicContact CB-CD2 4.47Å; I235-F237 HydrophobicContact CB-CE2 3.94Å; I235-F237 HydrophobicContact CB-CZ 3.97Å; I235-F237 HydrophobicContact CD1-CZ 4.26Å; I235-F237 HydrophobicContact CG2-CD1 4Å; I235-F237 HydrophobicContact CG2-CD2 4.21Å; I235-F237 HydrophobicContact CG2-CE1 3.67Å; I235-F237 HydrophobicContact CG2-CE2 3.89Å; I235-F237 HydrophobicContact CG2-CG 4.26Å; I235-F237 HydrophobicContact CG2-CZ 3.61Å; I235-F237 WeakPolarHBondContact O-CD2 3.48Å; I235-F237 PolarHBondContact O-N 3.04Å; I235-F237 VanDerWaalsContact O-N 3.17Å | ||
| 236 | D | 87.8 | Confident | 71.7 | Confident | 39 Ų | 39 | 90.3 Ų | 90.3 | 21% | 0.209 | 46% | 0.464 | C | S | . | . | trans | -81.9 | 91.1 | 174.5 | -168.6 | -18.6 | 0 | 0 | 0 | 110.4 | Y14 N234 K238 K239 | Y14-D236 HydrophobicContact CD2-CB 4.25Å; Y14-D236 HydrophobicContact CE2-CB 3.7Å; N234-D236 PolarHBondContact O-N 2.99Å; D236-K238 PolarHBondContact O-N 3.47Å; D236-K238 WeakPolarHBondContact OD1-CA 3.4Å; D236-K238 WeakPolarHBondContact OD1-CB 3.36Å; D236-K238 PolarHBondContact OD1-N 3.41Å; D236-K239 HydrophobicContact CB-CB 4.36Å; D236-K239 HydrophobicContact CB-CD 4.32Å; D236-K239 HydrophobicContact CB-CG 4.48Å; D236-K239 PolarHBondContact O-N 3.09Å; D236-K239 PolarHBondContact OD1-N 3.37Å; D236-K239 WeakPolarHBondContact OD2-CD 3.47Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 WeakPolarHBondContact OD2-CG 3.18Å; D236-K239 IonicContact OD2-NZ 3.59Å | ||
| 237 | F | 80.2 | Confident | 68.8 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8.7 | 176.4 | -63.2 | -77.6 | 0 | 0 | 0 | 113.9 | L12 T233 I235 | L12-F237 HydrophobicContact CB-CE2 4.46Å; L12-F237 HydrophobicContact CD1-CE2 3.75Å; L12-F237 HydrophobicContact CD1-CZ 3.96Å; T233-F237 HydrophobicContact CG2-CE2 4.08Å; I235-F237 HydrophobicContact CB-CD2 4.47Å; I235-F237 HydrophobicContact CB-CE2 3.94Å; I235-F237 HydrophobicContact CB-CZ 3.97Å; I235-F237 HydrophobicContact CD1-CZ 4.26Å; I235-F237 HydrophobicContact CG2-CD1 4Å; I235-F237 HydrophobicContact CG2-CD2 4.21Å; I235-F237 HydrophobicContact CG2-CE1 3.67Å; I235-F237 HydrophobicContact CG2-CE2 3.89Å; I235-F237 HydrophobicContact CG2-CG 4.26Å; I235-F237 HydrophobicContact CG2-CZ 3.61Å; I235-F237 WeakPolarHBondContact O-CD2 3.48Å; I235-F237 PolarHBondContact O-N 3.04Å; I235-F237 VanDerWaalsContact O-N 3.17Å |
| 238 | K | 73.4 | Confident | 66.6 | Low | 197 Ų | 197 | 93.5 Ų | 93.5 | 86% | 0.857 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -22.7 | -179.1 | -63.1 | -179 | 178.7 | 179.5 | 0 | 113 | D236 S240 | D236-K238 PolarHBondContact O-N 3.47Å; D236-K238 WeakPolarHBondContact OD1-CA 3.4Å; D236-K238 WeakPolarHBondContact OD1-CB 3.36Å; D236-K238 PolarHBondContact OD1-N 3.41Å; K238-S240 PolarHBondContact O-N 3.16Å; K238-S240 VanDerWaalsContact O-N 3.15Å |
| 239 | K | 60 | Low | 64.2 | Low | 138 Ų | 138 | 92.4 Ų | 92.4 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | trans | -81.7 | 80.4 | 174.3 | -77.8 | 177.6 | -170.5 | 168.4 | 0 | 111.3 | D236 Q241 | D236-K239 HydrophobicContact CB-CB 4.36Å; D236-K239 HydrophobicContact CB-CD 4.32Å; D236-K239 HydrophobicContact CB-CG 4.48Å; D236-K239 PolarHBondContact O-N 3.09Å; D236-K239 PolarHBondContact OD1-N 3.37Å; D236-K239 WeakPolarHBondContact OD2-CD 3.47Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 WeakPolarHBondContact OD2-CG 3.18Å; D236-K239 IonicContact OD2-NZ 3.59Å; K239-Q241 PolarHBondContact O-N 3.26Å | ||
| 240 | S | 46.8 | Very low | 61.8 | Low | 93 Ų | 93 | 101.1 Ų | 101.1 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | trans | -69.8 | 95.9 | 161 | 66 | 0 | 0 | 0 | 0 | 109.3 | K238 | K238-S240 PolarHBondContact O-N 3.16Å; K238-S240 VanDerWaalsContact O-N 3.15Å | ||
| 241 | Q | 40.3 | Very low | 59.8 | Low | 123 Ų | 123 | 101.1 Ų | 101.1 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | trans | -65.8 | 130.2 | 169.8 | -79.9 | -85.5 | -10.2 | 0 | 0 | 109.8 | K239 Y243 C244 | K239-Q241 PolarHBondContact O-N 3.26Å; Q241-Y243 PolarHBondContact O-N 3.33Å; Q241-C244 HydrophobicContact CB-CB 3.91Å; Q241-C244 PolarHBondContact O-N 2.88Å; Q241-C244 VanDerWaalsContact O-O 3.13Å | ||
| 242 | P | 42.4 | Very low | 56.9 | Low | 119 Ų | 119 | 101.9 Ų | 101.9 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9 | -177.7 | 26.7 | -32.1 | 0 | 0 | 0 | 114.5 | ||
| 243 | Y | 39.9 | Very low | 54 | Low | 229 Ų | 229 | 104.8 Ų | 104.8 | 90% | 0.898 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.8 | 169.3 | -75.8 | -80.5 | 0 | 0 | 0 | 113.7 | Q241 | Q241-Y243 PolarHBondContact O-N 3.33Š|
| 244 | C | 32.9 | Very low | 51.2 | Low | 84 Ų | 84 | 106.6 Ų | 106.6 | 57% | 0.568 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -113.9 | 97.6 | 170 | -159.2 | 0 | 0 | 0 | 0 | 107.4 | Q241 M246 | Q241-C244 HydrophobicContact CB-CB 3.91Å; Q241-C244 PolarHBondContact O-N 2.88Å; Q241-C244 VanDerWaalsContact O-O 3.13Å; C244-M246 VanDerWaalsContact C-N 3.29Å; C244-M246 PolarHBondContact O-N 3.17Å |
| 245 | S | 32.9 | Very low | 48.9 | Very low | 85 Ų | 85 | 108 Ų | 108 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | trans | -59 | 92.9 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | Q247 | S245-Q247 PolarHBondContact O-N 2.75Å; S245-Q247 VanDerWaalsContact O-N 3.08Å; S245-Q247 VanDerWaalsContact O-O 3.1Å | ||
| 246 | M | 38.9 | Very low | 46.4 | Very low | 139 Ų | 139 | 109.8 Ų | 109.8 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | trans | -75.4 | 51 | 154.8 | -75.4 | -166.9 | 68 | 0 | 0 | 110.4 | C244 | C244-M246 VanDerWaalsContact C-N 3.29Å; C244-M246 PolarHBondContact O-N 3.17Å | ||
| 247 | Q | 29.6 | Very low | 43.8 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 73% | 0.729 | 59% | 0.586 | S | S | * | * | S | Bend | -66.5 | 127.6 | 128 | -86.5 | -173.4 | -6.4 | 0 | 0 | 104.1 | S245 Q249 | S245-Q247 PolarHBondContact O-N 2.75Å; S245-Q247 VanDerWaalsContact O-N 3.08Å; S245-Q247 VanDerWaalsContact O-O 3.1Å; Q247-Q249 PolarHBondContact O-N 3.03Å | |
| 248 | A | 41.7 | Very low | 41.8 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 63% | 0.628 | 60% | 0.602 | S | S | * | * | trans | -56 | 76.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R250 | A248-R250 PolarHBondContact O-N 2.78Š| ||
| 249 | Q | 35.9 | Very low | 40.4 | Very low | 141 Ų | 141 | 114 Ų | 114 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | trans | -76 | 83.1 | 175.3 | -84.3 | -169 | -21.4 | 0 | 0 | 106.5 | Q247 T251 | Q247-Q249 PolarHBondContact O-N 3.03Å; Q249-T251 PolarHBondContact O-N 3.03Å; Q249-T251 VanDerWaalsContact O-N 3.12Å | ||
| 250 | R | 39 | Very low | 39.4 | Very low | 197 Ų | 197 | 112.9 Ų | 112.9 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 56.9 | 37.8 | 149 | -55.2 | -178.1 | 170.9 | -170.7 | -3.2 | 117.2 | A248 A254 | A248-R250 PolarHBondContact O-N 2.78Å; R250-A254 HydrophobicContact CB-CB 3.94Å; R250-A254 HydrophobicContact CG-CB 3.75Å |
| 251 | T | 51.5 | Low | 39 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 43% | 0.429 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -86.9 | -45.5 | 177.9 | 41.9 | 0 | 0 | 0 | 0 | 113.5 | Q249 | Q249-T251 PolarHBondContact O-N 3.03Å; Q249-T251 VanDerWaalsContact O-N 3.12Å |
| 252 | Y | 34.8 | Very low | 38.9 | Very low | 29 Ų | 29 | 113.4 Ų | 113.4 | 11% | 0.114 | 63% | 0.626 | C | S | . | * | S | Bend | trans | -146.3 | -34.6 | 169.7 | -71.9 | -63.1 | 0 | 0 | 0 | 113.3 | I84 F89 L122 L188 N189 P191 A254 A255 A256 | I84-Y252 HydrophobicContact CG1-CD1 4.33Å; I84-Y252 HydrophobicContact CG1-CE1 4.27Å; I84-Y252 HydrophobicContact CG2-CG 4.32Å; F89-Y252 AromaticContact CE1-CD1 3.62Å; F89-Y252 HydrophobicContact CE1-CD1 3.62Å; F89-Y252 AromaticContact CE1-CE1 3.75Å; F89-Y252 HydrophobicContact CE1-CE1 3.75Å; F89-Y252 HydrophobicContact CE2-CD1 4.39Å; F89-Y252 HydrophobicContact CE2-CE1 4.46Å; F89-Y252 AromaticContact CZ-CD1 3.29Å; F89-Y252 HydrophobicContact CZ-CD1 3.29Å; F89-Y252 AromaticContact CZ-CE1 3.57Å; F89-Y252 HydrophobicContact CZ-CE1 3.57Å; F89-Y252 HydrophobicContact CZ-CG 4.42Å; L122-Y252 HydrophobicContact CD1-CE1 4.05Å; L188-Y252 PolarHBondContact O-OH 3.06Å; N189-Y252 WeakPolarHBondContact O-CE2 3.19Å; N189-Y252 VanDerWaalsContact O-CZ 3.25Å; N189-Y252 PolarHBondContact O-OH 3Å; P191-Y252 HydrophobicContact CB-CE1 4.43Å; P191-Y252 HydrophobicContact CG-CE1 4.27Å; Y252-A254 VanDerWaalsContact C-N 3.27Å; Y252-A254 PolarHBondContact O-N 3.12Å; Y252-A255 PolarHBondContact O-N 3.03Å; Y252-A255 VanDerWaalsContact O-N 3.12Å; Y252-A256 PolarHBondContact O-N 3.16Å |
| 253 | F | 36.5 | Very low | 38.7 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 61% | 0.614 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -29.9 | 178.9 | -72.3 | -81.4 | 0 | 0 | 0 | 114.5 | S257 | F253-S257 PolarHBondContact O-OG 3.3Š|
| 254 | A | 40 | Very low | 38.7 | Very low | 38 Ų | 38 | 105.8 Ų | 105.8 | 31% | 0.314 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -20.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R250 Y252 A256 | R250-A254 HydrophobicContact CB-CB 3.94Å; R250-A254 HydrophobicContact CG-CB 3.75Å; Y252-A254 VanDerWaalsContact C-N 3.27Å; Y252-A254 PolarHBondContact O-N 3.12Å; A254-A256 VanDerWaalsContact C-N 3.34Å |
| 255 | A | 47.7 | Very low | 39 | Very low | 53 Ų | 53 | 107.3 Ų | 107.3 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -25.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F89 Y252 | F89-A255 HydrophobicContact CE1-CB 4.41Å; Y252-A255 PolarHBondContact O-N 3.03Å; Y252-A255 VanDerWaalsContact O-N 3.12Å |
| 256 | A | 42.1 | Very low | 39.5 | Very low | 49 Ų | 49 | 108.9 Ų | 108.9 | 41% | 0.405 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -83.9 | -5.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I87 Y252 A254 | I87-A256 HydrophobicContact CB-CB 4.26Å; I87-A256 HydrophobicContact CD1-CB 4.07Å; I87-A256 HydrophobicContact CG1-CB 3.71Å; I87-A256 HydrophobicContact CG2-CB 3.81Å; Y252-A256 PolarHBondContact O-N 3.16Å; A254-A256 VanDerWaalsContact C-N 3.34Å |
| 257 | S | 34.5 | Very low | 39.5 | Very low | 78 Ų | 78 | 106.5 Ų | 106.5 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | trans | -126.6 | 59.7 | -169.8 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | F253 | F253-S257 PolarHBondContact O-OG 3.3Š| ||
| 258 | L | 37.9 | Very low | 40.4 | Very low | 157 Ų | 157 | 102.4 Ų | 102.4 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | trans | -133.5 | 124 | 156.8 | -79 | 167.5 | 0 | 0 | 0 | 108.7 | ||||
| 259 | P | 42.8 | Very low | 40.2 | Very low | 201 Ų | 201 | 104.8 Ų | 104.8 | 100% | 1.305 | 58% | 0.581 | S | S | * | * | trans | -70.1 | 0 | 177.5 | 29.5 | -33.5 | 0 | 0 | 0 | 113.2 |
Retrieved 259 of 259 residues in 149.8 ms
(Link to these results)