| 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 | 72 | Confident | 91.9 | Very high | 157 Ų | 157 | 65.9 Ų | 65.9 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | 0 | 130.6 | 0 | 177.4 | 175.9 | 176.2 | 0 | 0 | 107.1 | A302 | M1-A302 HydrophobicContact CE-CB 4.22Å; M1-A302 HydrophobicContact SD-CB 3.76Å | |||
| 2 | K | 86.3 | Confident | 92.1 | Very high | 157 Ų | 157 | 70.6 Ų | 70.6 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | trans | -82 | 121.2 | 174.7 | -173 | 176.4 | -178.7 | -179.7 | 0 | 108.1 | D251 | K2-D251 WeakPolarHBondContact CA-OD2 3.19Š| ||
| 3 | L | 92.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | trans | -83 | 139.3 | 174.5 | -67.7 | 162.2 | 0 | 0 | 0 | 108.6 | T7 I8 F11 T249 D251 F254 F297 A302 | L3-T7 HydrophobicContact CD2-CG2 4.15Å; L3-I8 HydrophobicContact CD1-CD1 4.34Å; L3-F11 HydrophobicContact CD2-CE2 4.32Å; L3-T249 HydrophobicContact CD1-CG2 3.54Å; L3-D251 PolarHBondContact N-OD2 3.25Å; L3-F254 HydrophobicContact CB-CD2 4.15Å; L3-F254 HydrophobicContact CB-CE2 3.77Å; L3-F297 HydrophobicContact CD1-CE1 3.93Å; L3-F297 HydrophobicContact CD1-CE2 4.09Å; L3-F297 HydrophobicContact CD1-CZ 3.44Å; L3-F297 VanDerWaalsContact CD1-CZ 3.44Å; L3-F297 HydrophobicContact CD2-CZ 4.37Å; L3-A302 HydrophobicContact CD2-CB 4.24Å | ||
| 4 | T | 93.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 37% | 0.368 | 34% | 0.335 | S | S | . | . | trans | -106.8 | 163.9 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 109.7 | S6 T7 I8 | T4-S6 PolarHBondContact O-N 2.72Å; T4-S6 PolarHBondContact OG1-N 3.05Å; T4-S6 PolarHBondContact OG1-OG 3.01Å; T4-T7 PolarHBondContact O-N 3.43Å; T4-T7 PolarHBondContact OG1-N 3.44Å; T4-T7 VanDerWaalsContact OG1-N 3.13Å; T4-T7 PolarHBondContact OG1-OG1 3.28Å; T4-I8 WeakPolarHBondContact O-CG2 3.36Å; T4-I8 PolarHBondContact O-N 3.24Å | ||
| 5 | D | 93.8 | Very high | 92.6 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.7 | -37.8 | 169.6 | -83.7 | 47.5 | 0 | 0 | 0 | 112.3 | R9 F254 V275 | D5-R9 WeakPolarHBondContact O-CB 3.32Å; D5-R9 WeakPolarHBondContact O-CD 3.17Å; D5-R9 WeakPolarHBondContact O-CG 3.47Å; D5-R9 PolarHBondContact O-N 3.29Å; D5-R9 IonicContact OD2-NH2 3.4Å; D5-F254 WeakPolarHBondContact OD1-CE1 3.48Å; D5-F254 WeakPolarHBondContact OD1-CZ 3.44Å; D5-V275 HydrophobicContact CB-CG1 4.38Å |
| 6 | S | 93.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -51 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | T4 R9 T10 | T4-S6 PolarHBondContact O-N 2.72Å; T4-S6 PolarHBondContact OG1-N 3.05Å; T4-S6 PolarHBondContact OG1-OG 3.01Å; S6-R9 PolarHBondContact O-N 3.24Å; S6-T10 WeakPolarHBondContact O-CG2 3.49Å |
| 7 | T | 94.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 65.5 Ų | 65.5 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | -177.8 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | L3 T4 R9 T10 F11 P316 | L3-T7 HydrophobicContact CD2-CG2 4.15Å; T4-T7 PolarHBondContact O-N 3.43Å; T4-T7 PolarHBondContact OG1-N 3.44Å; T4-T7 VanDerWaalsContact OG1-N 3.13Å; T4-T7 PolarHBondContact OG1-OG1 3.28Å; T7-R9 VanDerWaalsContact C-N 3.27Å; T7-R9 PolarHBondContact O-N 2.92Å; T7-T10 PolarHBondContact O-N 3.49Å; T7-T10 PolarHBondContact O-OG1 3.1Å; T7-F11 WeakPolarHBondContact O-CD2 3.48Å; T7-P316 HydrophobicContact CG2-CB 3.79Å; T7-P316 HydrophobicContact CG2-CG 4.25Å |
| 8 | I | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.6 | -28 | -175.7 | -159.3 | 60.2 | 0 | 0 | 0 | 112.3 | L3 T4 T10 F11 T249 F254 I266 V275 F297 | L3-I8 HydrophobicContact CD1-CD1 4.34Å; T4-I8 WeakPolarHBondContact O-CG2 3.36Å; T4-I8 PolarHBondContact O-N 3.24Å; I8-T10 VanDerWaalsContact C-N 3.28Å; I8-T10 PolarHBondContact O-N 3.11Å; I8-F11 HydrophobicContact CD1-CD2 3.95Å; I8-F11 HydrophobicContact CD1-CE2 3.86Å; I8-T249 HydrophobicContact CD1-CG2 4.42Å; I8-F254 HydrophobicContact CB-CD2 4.45Å; I8-F254 HydrophobicContact CB-CE2 4.31Å; I8-F254 HydrophobicContact CB-CZ 4.5Å; I8-F254 HydrophobicContact CG1-CD2 4.24Å; I8-F254 HydrophobicContact CG1-CG 4.34Å; I8-F254 HydrophobicContact CG2-CD1 4.33Å; I8-F254 HydrophobicContact CG2-CE1 4.01Å; I8-F254 HydrophobicContact CG2-CE2 4.27Å; I8-F254 HydrophobicContact CG2-CZ 3.98Å; I8-I266 HydrophobicContact CD1-CD1 4.18Å; I8-I266 HydrophobicContact CG1-CD1 3.74Å; I8-I266 HydrophobicContact CG1-CG2 3.86Å; I8-V275 HydrophobicContact CG2-CG1 3.74Å; I8-F297 HydrophobicContact CD1-CE2 4.07Å |
| 9 | R | 96.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.6 | -18.7 | 176.1 | -73.4 | 167.6 | -172.5 | -81.6 | -5.4 | 113.6 | D5 S6 T7 V275 A276 L278 | D5-R9 WeakPolarHBondContact O-CB 3.32Å; D5-R9 WeakPolarHBondContact O-CD 3.17Å; D5-R9 WeakPolarHBondContact O-CG 3.47Å; D5-R9 PolarHBondContact O-N 3.29Å; D5-R9 IonicContact OD2-NH2 3.4Å; S6-R9 PolarHBondContact O-N 3.24Å; T7-R9 VanDerWaalsContact C-N 3.27Å; T7-R9 PolarHBondContact O-N 2.92Å; R9-V275 HydrophobicContact CG-CG1 4.06Å; R9-V275 PolarHBondContact NH1-O 2.99Å; R9-V275 PolarHBondContact NH2-O 2.92Å; R9-A276 HydrophobicContact CG-CB 4.18Å; R9-L278 WeakPolarHBondContact O-CD2 3.31Å |
| 10 | T | 95.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 65.6 Ų | 65.6 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.1 | -176.4 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | S6 T7 I8 K12 P316 A317 | S6-T10 WeakPolarHBondContact O-CG2 3.49Å; T7-T10 PolarHBondContact O-N 3.49Å; T7-T10 PolarHBondContact O-OG1 3.1Å; I8-T10 VanDerWaalsContact C-N 3.28Å; I8-T10 PolarHBondContact O-N 3.11Å; T10-K12 PolarHBondContact O-N 2.77Å; T10-P316 WeakPolarHBondContact OG1-CB 3.36Å; T10-A317 HydrophobicContact CG2-CB 4.24Å; T10-A317 PolarHBondContact O-N 2.83Å; T10-A317 PolarHBondContact OG1-N 2.95Å |
| 11 | F | 96.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | trans | -58.3 | 131.6 | 175.6 | -87.9 | -106.1 | 0 | 0 | 0 | 110.7 | L3 T7 I8 L278 F297 A302 L304 W314 L315 P316 | L3-F11 HydrophobicContact CD2-CE2 4.32Å; T7-F11 WeakPolarHBondContact O-CD2 3.48Å; I8-F11 HydrophobicContact CD1-CD2 3.95Å; I8-F11 HydrophobicContact CD1-CE2 3.86Å; F11-L278 HydrophobicContact CB-CD1 3.73Å; F11-L278 WeakPolarHBondContact O-CD1 3.26Å; F11-F297 HydrophobicContact CE1-CE2 4.15Å; F11-F297 HydrophobicContact CE1-CZ 4.11Å; F11-F297 HydrophobicContact CE2-CZ 4.46Å; F11-F297 AromaticContact CZ-CE2 3.98Å; F11-F297 HydrophobicContact CZ-CE2 3.98Å; F11-F297 AromaticContact CZ-CZ 3.65Å; F11-F297 HydrophobicContact CZ-CZ 3.65Å; F11-A302 HydrophobicContact CZ-CB 4.12Å; F11-L304 HydrophobicContact CD1-CB 4.04Å; F11-L304 HydrophobicContact CE1-CB 4.05Å; F11-W314 HydrophobicContact CD1-CB 4.05Å; F11-L315 WeakPolarHBondContact CA-O 3.34Å; F11-P316 HydrophobicContact CD2-CB 3.87Å; F11-P316 HydrophobicContact CE2-CB 3.73Å; F11-P316 HydrophobicContact CE2-CG 4.04Å; F11-P316 HydrophobicContact CZ-CB 4.3Å; F11-P316 HydrophobicContact CZ-CG 4.13Å | ||
| 12 | K | 95.1 | Very high | 93.7 | Very high | 122 Ų | 122 | 63.3 Ų | 63.3 | 53% | 0.53 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.4 | 173.4 | 63.8 | -176.9 | 178.2 | -176.5 | 0 | 110.2 | T10 V14 W314 L315 | T10-K12 PolarHBondContact O-N 2.77Å; K12-V14 HydrophobicContact CG-CG1 4.38Å; K12-V14 PolarHBondContact O-N 2.92Å; K12-W314 VanDerWaalsContact C-CE3 3.42Å; K12-W314 VanDerWaalsContact CA-CE3 3.47Å; K12-W314 WeakPolarHBondContact O-CA 3.15Å; K12-L315 PolarHBondContact N-O 2.85Å; K12-L315 VanDerWaalsContact N-O 3.08Å; K12-L315 PolarHBondContact O-N 2.73Å; K12-L315 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 93.9 | Very high | 94.1 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.5 | 175.5 | 4.8 | 6.9 | 0 | 0 | 0 | 109.9 | Y16 F313 W314 | P13-Y16 HydrophobicContact CB-CE1 3.59Å; P13-Y16 HydrophobicContact CG-CE1 4.25Å; P13-F313 CarbonylContact C-O 3.53Å; P13-F313 WeakPolarHBondContact CA-O 3.27Å; P13-W314 HydrophobicContact CB-CD2 4.04Å; P13-W314 HydrophobicContact CB-CG 4.33Å; P13-W314 HydrophobicContact CB-CZ2 4.31Å; P13-W314 HydrophobicContact CG-CD2 3.92Å; P13-W314 HydrophobicContact CG-CE3 4.07Å; P13-W314 HydrophobicContact CG-CH2 3.77Å; P13-W314 HydrophobicContact CG-CZ2 3.63Å; P13-W314 HydrophobicContact CG-CZ3 3.98Å |
| 14 | V | 94 | Very high | 94.3 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -19.4 | -178.1 | -65.5 | 0 | 0 | 0 | 0 | 113 | K12 F313 L315 | K12-V14 HydrophobicContact CG-CG1 4.38Å; K12-V14 PolarHBondContact O-N 2.92Å; V14-F313 WeakPolarHBondContact CG2-O 2.75Å; V14-F313 PolarHBondContact N-O 2.82Å; V14-L315 HydrophobicContact CG1-CB 4.27Å; V14-L315 HydrophobicContact CG2-CB 4.13Å; V14-L315 HydrophobicContact CG2-CD1 3.86Å; V14-L315 HydrophobicContact CG2-CG 3.73Å |
| 15 | K | 94.9 | Very high | 94.5 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.5 | 175.6 | -66.8 | -71.7 | -172.7 | 164.9 | 0 | 110.1 | F17 S312 F313 | K15-F17 HydrophobicContact CB-CE2 4.07Å; K15-F17 HydrophobicContact CB-CZ 3.98Å; K15-S312 CarbonylContact O-C 3.53Å; K15-S312 VanDerWaalsContact O-CA 3.26Å; K15-S312 WeakPolarHBondContact O-CA 3.4Å; K15-F313 HydrophobicContact CB-CB 4.21Å; K15-F313 PolarHBondContact N-O 3.26Å; K15-F313 PolarHBondContact O-N 3.48Å |
| 16 | Y | 93.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.8 | -179.6 | -50.1 | -80.9 | 0 | 0 | 0 | 109.1 | P13 Y281 A283 | P13-Y16 HydrophobicContact CB-CE1 3.59Å; P13-Y16 HydrophobicContact CG-CE1 4.25Å; Y16-Y281 HydrophobicContact CE1-CD1 4.05Å; Y16-Y281 VanDerWaalsContact CE1-O 3.29Å; Y16-Y281 WeakPolarHBondContact CE1-O 3.43Å; Y16-Y281 HydrophobicContact CE2-CD1 4.4Å; Y16-Y281 AromaticContact CZ-CD1 3.87Å; Y16-A283 HydrophobicContact CD1-CB 4.27Å; Y16-A283 HydrophobicContact CD2-CB 4.13Å; Y16-A283 HydrophobicContact CG-CB 3.8Å |
| 17 | F | 95 | Very high | 94.9 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 108.5 | -166.7 | -70.1 | -62.7 | 0 | 0 | 0 | 110.3 | K15 E19 Y48 G53 Q310 T311 F313 | K15-F17 HydrophobicContact CB-CE2 4.07Å; K15-F17 HydrophobicContact CB-CZ 3.98Å; F17-E19 VanDerWaalsContact CA-OE2 3.31Å; F17-E19 WeakPolarHBondContact CA-OE2 3.32Å; F17-E19 WeakPolarHBondContact CB-OE2 3.28Å; F17-Y48 HydrophobicContact CB-CD1 4.37Å; F17-Y48 HydrophobicContact CB-CE1 3.57Å; F17-Y48 AromaticContact CD1-CD1 3.74Å; F17-Y48 HydrophobicContact CD1-CD1 3.74Å; F17-Y48 AromaticContact CD1-CE1 3.71Å; F17-Y48 HydrophobicContact CD1-CE1 3.71Å; F17-Y48 AromaticContact CD2-CD1 3.97Å; F17-Y48 HydrophobicContact CD2-CD1 3.97Å; F17-Y48 AromaticContact CD2-CE1 3.93Å; F17-Y48 HydrophobicContact CD2-CE1 3.93Å; F17-Y48 AromaticContact CE1-CD1 3.94Å; F17-Y48 HydrophobicContact CE1-CD1 3.94Å; F17-Y48 HydrophobicContact CE1-CE1 4.38Å; F17-Y48 HydrophobicContact CE2-CD1 4.14Å; F17-Y48 AromaticContact CG-CD1 3.76Å; F17-Y48 HydrophobicContact CG-CD1 3.76Å; F17-Y48 AromaticContact CG-CE1 3.46Å; F17-Y48 HydrophobicContact CG-CE1 3.46Å; F17-Y48 VanDerWaalsContact CG-CE1 3.46Å; F17-Y48 HydrophobicContact CZ-CD1 4.13Å; F17-G53 VanDerWaalsContact CE1-O 3.32Å; F17-G53 WeakPolarHBondContact CE1-O 3.14Å; F17-G53 WeakPolarHBondContact CZ-O 3.27Å; F17-Q310 WeakPolarHBondContact O-CB 3.4Å; F17-T311 WeakPolarHBondContact CB-O 3.27Å; F17-T311 HydrophobicContact CD2-CG2 4.08Å; F17-T311 WeakPolarHBondContact CD2-O 3.44Å; F17-T311 PolarHBondContact N-O 3.5Å; F17-T311 PolarHBondContact O-N 2.93Å; F17-F313 HydrophobicContact CE2-CB 4.4Å; F17-F313 AromaticContact CE2-CD1 3.85Å; F17-F313 HydrophobicContact CE2-CD1 3.85Å; F17-F313 AromaticContact CE2-CD2 3.52Å; F17-F313 HydrophobicContact CE2-CD2 3.52Å; F17-F313 AromaticContact CE2-CE1 3.96Å; F17-F313 HydrophobicContact CE2-CE1 3.96Å; F17-F313 AromaticContact CE2-CE2 3.63Å; F17-F313 HydrophobicContact CE2-CE2 3.63Å; F17-F313 AromaticContact CE2-CG 3.63Å; F17-F313 HydrophobicContact CE2-CG 3.63Å; F17-F313 AromaticContact CE2-CZ 3.86Å; F17-F313 HydrophobicContact CE2-CZ 3.86Å; F17-F313 AromaticContact CZ-CD2 3.73Å; F17-F313 HydrophobicContact CZ-CD2 3.73Å; F17-F313 AromaticContact CZ-CE2 3.68Å; F17-F313 HydrophobicContact CZ-CE2 3.68Å; F17-F313 HydrophobicContact CZ-CG 4.31Å; F17-F313 HydrophobicContact CZ-CZ 4.24Å |
| 18 | K | 91.4 | Very high | 95.1 | Very high | 128 Ų | 128 | 49 Ų | 49 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | trans | -98.6 | 22.8 | -170.5 | -59.2 | -174.7 | 177.3 | -169.7 | 0 | 113.6 | N20 A283 A284 | K18-N20 VanDerWaalsContact C-N 3.26Å; K18-A283 VanDerWaalsContact CE-C 3.43Å; K18-A283 VanDerWaalsContact CE-O 3.3Å; K18-A283 WeakPolarHBondContact CE-O 3.33Å; K18-A283 PolarHBondContact NZ-O 2.81Å; K18-A284 HydrophobicContact CD-CB 4.44Å; K18-A284 HydrophobicContact CG-CB 4.42Å | ||
| 19 | E | 91.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -71 | -28.9 | -178.5 | -62.8 | 71.9 | -158.2 | 0 | 0 | 111.4 | F17 Q44 V46 P55 | F17-E19 VanDerWaalsContact CA-OE2 3.31Å; F17-E19 WeakPolarHBondContact CA-OE2 3.32Å; F17-E19 WeakPolarHBondContact CB-OE2 3.28Å; E19-Q44 PolarHBondContact O-OE1 2.9Å; E19-V46 HydrophobicContact CB-CG1 4.24Å; E19-V46 HydrophobicContact CB-CG2 4.08Å; E19-V46 HydrophobicContact CG-CG1 4.26Å; E19-P55 HydrophobicContact CG-CB 4.08Å; E19-P55 HydrophobicContact CG-CG 4.41Å; E19-P55 VanDerWaalsContact OE1-CG 3.27Å; E19-P55 WeakPolarHBondContact OE1-CG 3.36Å |
| 20 | N | 93.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | trans | -94.7 | 149.8 | 176.9 | -64.7 | 112.6 | 0 | 0 | 0 | 112.1 | K18 I24 S40 D42 | K18-N20 VanDerWaalsContact C-N 3.26Å; N20-I24 HydrophobicContact CB-CD1 3.64Å; N20-I24 VanDerWaalsContact OD1-CD1 3.32Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.29Å; N20-S40 VanDerWaalsContact ND2-CB 3.29Å; N20-S40 WeakPolarHBondContact ND2-CB 3.42Å; N20-D42 WeakPolarHBondContact CA-OD2 3.47Å; N20-D42 WeakPolarHBondContact CB-OD2 3.41Å; N20-D42 PolarHBondContact ND2-OD1 2.85Å; N20-D42 VanDerWaalsContact ND2-OD1 3.08Å; N20-D42 PolarHBondContact ND2-OD2 2.91Å; N20-D42 VanDerWaalsContact ND2-OD2 3.11Å | ||
| 21 | S | 92 | Very high | 95.3 | Very high | 101 Ų | 101 | 44.2 Ų | 44.2 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -113.2 | -4 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | D42 | S21-D42 PolarHBondContact N-OD2 2.88Å; S21-D42 PolarHBondContact OG-OD2 3.2Å |
| 22 | D | 94.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -141.1 | 174.7 | -178.8 | -147.7 | -26.2 | 0 | 0 | 0 | 110.6 | I24 S40 D41 D42 | D22-I24 PolarHBondContact O-N 2.78Å; D22-S40 VanDerWaalsContact C-OG 3.32Å; D22-S40 PolarHBondContact O-OG 3.42Å; D22-D41 HydrophobicContact CB-CB 4.02Å; D22-D42 HydrophobicContact CB-CB 3.96Å |
| 23 | R | 94.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 18% | 0.181 | 21% | 0.21 | C | C | . | . | trans | -47 | 129.5 | -176 | 172.5 | 178.5 | 171.5 | 143 | 5.6 | 113.1 | N25 S40 D41 T243 H293 S308 | R23-N25 PolarHBondContact O-N 3.4Å; R23-S40 CarbonylContact O-C 3.54Å; R23-S40 WeakPolarHBondContact O-CA 3.42Å; R23-S40 PolarHBondContact O-OG 2.78Å; R23-S40 VanDerWaalsContact O-OG 3.12Å; R23-D41 PolarHBondContact O-N 2.94Å; R23-T243 PolarHBondContact NH2-O 3.25Å; R23-H293 VanDerWaalsContact CZ-CG 3.45Å; R23-H293 PolarHBondContact NH1-CD2 2.88Å; R23-H293 PolarHBondContact NH1-NE2 3.3Å; R23-H293 PolarHBondContact NH2-CD2 3.05Å; R23-S308 CarbonylContact C-O 3.56Å; R23-S308 WeakPolarHBondContact CA-O 3.34Å | ||
| 24 | I | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 111.4 | 168.1 | -52.2 | -55.3 | 0 | 0 | 0 | 109.4 | N20 D22 L27 S294 S308 | N20-I24 HydrophobicContact CB-CD1 3.64Å; N20-I24 VanDerWaalsContact OD1-CD1 3.32Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.29Å; D22-I24 PolarHBondContact O-N 2.78Å; I24-L27 HydrophobicContact CG2-CD2 4.01Å; I24-L27 HydrophobicContact CG2-CG 4.13Å; I24-S294 PolarHBondContact O-OG 3.02Å; I24-S294 VanDerWaalsContact O-OG 3.08Å; I24-S308 PolarHBondContact N-O 3.25Å |
| 25 | N | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -38.8 | -174 | -72 | -47.3 | 0 | 0 | 0 | 114 | R23 S39 D41 N67 | R23-N25 PolarHBondContact O-N 3.4Å; N25-S39 PolarHBondContact N-O 2.83Å; N25-D41 VanDerWaalsContact ND2-CG 3.34Å; N25-D41 PolarHBondContact ND2-N 2.79Å; N25-D41 PolarHBondContact ND2-OD1 3.24Å; N25-N67 WeakPolarHBondContact CB-OD1 3.41Å |
| 26 | S | 97.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.1 | -173.5 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | S38 S39 I69 | S26-S38 WeakPolarHBondContact O-CA 3.5Å; S26-S39 PolarHBondContact O-N 2.88Å; S26-I69 PolarHBondContact OG-O 2.87Å |
| 27 | L | 98.5 | Very high | 96 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.5 | 179.9 | -71.1 | 170 | 0 | 0 | 0 | 107.8 | I24 L36 I37 A296 A305 T311 | I24-L27 HydrophobicContact CG2-CD2 4.01Å; I24-L27 HydrophobicContact CG2-CG 4.13Å; L27-L36 HydrophobicContact CB-CD1 4.25Å; L27-L36 HydrophobicContact CD2-CD1 4.29Å; L27-L36 HydrophobicContact CD2-CD2 3.64Å; L27-L36 HydrophobicContact CD2-CG 4.28Å; L27-I37 WeakPolarHBondContact CA-O 3.26Å; L27-A296 HydrophobicContact CB-CB 3.91Å; L27-A305 HydrophobicContact CD1-CB 4.18Å; L27-T311 HydrophobicContact CD2-CG2 4.11Å |
| 28 | S | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 130.8 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | L36 I37 Q70 F71 | S28-L36 CarbonylContact O-C 3.57Å; S28-L36 WeakPolarHBondContact O-CA 3.44Å; S28-I37 PolarHBondContact N-O 2.81Å; S28-I37 PolarHBondContact O-N 3.12Å; S28-Q70 WeakPolarHBondContact OG-CA 3.37Å; S28-Q70 PolarHBondContact OG-OE1 3.44Å; S28-F71 WeakPolarHBondContact O-CD2 3.23Å; S28-F71 WeakPolarHBondContact O-CE2 3.22Å; S28-F71 PolarHBondContact OG-N 3.24Å |
| 29 | Y | 98.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 146.2 | 172.5 | -78.2 | -75.8 | 0 | 0 | 0 | 110.2 | T35 L36 C50 F71 A296 N298 M303 A305 | Y29-T35 WeakPolarHBondContact CA-O 3.41Å; Y29-L36 HydrophobicContact CD1-CB 3.94Å; Y29-L36 HydrophobicContact CD1-CD1 3.81Å; Y29-L36 HydrophobicContact CD2-CD1 3.85Å; Y29-L36 HydrophobicContact CE1-CB 3.81Å; Y29-L36 HydrophobicContact CE1-CD1 3.72Å; Y29-L36 HydrophobicContact CE1-CG 4.33Å; Y29-L36 HydrophobicContact CE2-CD1 3.76Å; Y29-L36 HydrophobicContact CG-CD1 3.88Å; Y29-C50 VanDerWaalsContact CE1-SG 3.54Å; Y29-F71 VanDerWaalsContact C-CD2 3.41Å; Y29-A296 HydrophobicContact CD2-CB 3.85Å; Y29-A296 HydrophobicContact CE2-CB 3.87Å; Y29-A296 WeakPolarHBondContact CE2-O 3.4Å; Y29-N298 HydrophobicContact CD1-CB 4.28Å; Y29-N298 WeakPolarHBondContact CD1-ND2 3.11Å; Y29-N298 HydrophobicContact CD2-CB 4.21Å; Y29-N298 HydrophobicContact CE1-CB 3.98Å; Y29-N298 VanDerWaalsContact CE1-ND2 3.28Å; Y29-N298 WeakPolarHBondContact CE1-ND2 3.31Å; Y29-N298 HydrophobicContact CE2-CB 3.89Å; Y29-N298 HydrophobicContact CG-CB 4.38Å; Y29-M303 HydrophobicContact CE1-SD 4.38Å; Y29-A305 HydrophobicContact CE2-CB 4.19Å; Y29-A305 VanDerWaalsContact OH-CB 3.31Å; Y29-A305 WeakPolarHBondContact OH-CB 3.32Å; Y29-A305 PolarHBondContact OH-N 2.99Å |
| 30 | S | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -63.6 | 153.2 | 164.7 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | N32 G33 E34 T35 F71 P299 | S30-N32 WeakPolarHBondContact CB-OD1 3.34Å; S30-N32 PolarHBondContact O-N 3.28Å; S30-N32 VanDerWaalsContact O-N 3.14Å; S30-N32 PolarHBondContact OG-OD1 2.93Å; S30-G33 WeakPolarHBondContact O-CA 3.31Å; S30-G33 PolarHBondContact O-N 3.37Å; S30-E34 PolarHBondContact OG-N 3.33Å; S30-T35 PolarHBondContact N-O 2.86Å; S30-T35 PolarHBondContact OG-N 3.31Å; S30-T35 VanDerWaalsContact OG-N 3.12Å; S30-T35 PolarHBondContact OG-O 3.01Å; S30-F71 VanDerWaalsContact N-CD2 3.25Å; S30-P299 WeakPolarHBondContact O-CG 3.48Å | ||
| 31 | S | 95.2 | Very high | 97 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 41% | 0.413 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.5 | -177.6 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | R300 | S31-R300 PolarHBondContact O-NE 2.84Š|
| 32 | N | 95.5 | Very high | 97.3 | Very high | 50 Ų | 50 | 23.4 Ų | 23.4 | 27% | 0.267 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4 | 173.3 | 70.8 | -5.1 | 0 | 0 | 0 | 113.5 | S30 E34 R300 | S30-N32 WeakPolarHBondContact CB-OD1 3.34Å; S30-N32 PolarHBondContact O-N 3.28Å; S30-N32 VanDerWaalsContact O-N 3.14Å; S30-N32 PolarHBondContact OG-OD1 2.93Å; N32-E34 HydrophobicContact CB-CG 4.41Å; N32-E34 PolarHBondContact ND2-OE2 2.93Å; N32-E34 PolarHBondContact O-N 2.95Å; N32-E34 PolarHBondContact OD1-N 3.3Å; N32-R300 WeakPolarHBondContact O-CG 3.49Å |
| 33 | G | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 72.5 | 2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S30 C50 N298 | S30-G33 WeakPolarHBondContact O-CA 3.31Å; S30-G33 PolarHBondContact O-N 3.37Å; G33-C50 WeakPolarHBondContact O-CB 3.36Å; G33-C50 PolarHBondContact O-SG 3.43Å; G33-N298 WeakPolarHBondContact CA-OD1 3.41Å; G33-N298 PolarHBondContact O-ND2 2.8Å |
| 34 | E | 97.7 | Very high | 97.6 | Very high | 97 Ų | 97 | 20.4 Ų | 20.4 | 45% | 0.453 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -83.3 | -20.7 | -173.1 | -64.3 | 177.3 | 168.5 | 0 | 0 | 113.6 | S30 N32 C50 | S30-E34 PolarHBondContact OG-N 3.33Å; N32-E34 HydrophobicContact CB-CG 4.41Å; N32-E34 PolarHBondContact ND2-OE2 2.93Å; N32-E34 PolarHBondContact O-N 2.95Å; N32-E34 PolarHBondContact OD1-N 3.3Å; E34-C50 VanDerWaalsContact C-SG 3.52Å; E34-C50 WeakPolarHBondContact O-CB 3.29Å; E34-C50 PolarHBondContact O-N 3.09Å; E34-C50 PolarHBondContact O-SG 3.18Å |
| 35 | T | 98 | Very high | 97.6 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 10% | 0.098 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.1 | -177.9 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | Y29 S30 Y48 F71 | Y29-T35 WeakPolarHBondContact CA-O 3.41Å; S30-T35 PolarHBondContact N-O 2.86Å; S30-T35 PolarHBondContact OG-N 3.31Å; S30-T35 VanDerWaalsContact OG-N 3.12Å; S30-T35 PolarHBondContact OG-O 3.01Å; T35-Y48 VanDerWaalsContact CA-O 3.31Å; T35-Y48 WeakPolarHBondContact CA-O 3.21Å; T35-Y48 WeakPolarHBondContact CG2-O 3.22Å; T35-F71 HydrophobicContact CG2-CE2 4.29Å; T35-F71 HydrophobicContact CG2-CZ 3.69Å |
| 36 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.5 | 165.9 | 179.4 | 86.1 | 0 | 0 | 0 | 109 | L27 S28 Y29 T47 Y48 A305 T311 F313 | L27-L36 HydrophobicContact CB-CD1 4.25Å; L27-L36 HydrophobicContact CD2-CD1 4.29Å; L27-L36 HydrophobicContact CD2-CD2 3.64Å; L27-L36 HydrophobicContact CD2-CG 4.28Å; S28-L36 CarbonylContact O-C 3.57Å; S28-L36 WeakPolarHBondContact O-CA 3.44Å; Y29-L36 HydrophobicContact CD1-CB 3.94Å; Y29-L36 HydrophobicContact CD1-CD1 3.81Å; Y29-L36 HydrophobicContact CD2-CD1 3.85Å; Y29-L36 HydrophobicContact CE1-CB 3.81Å; Y29-L36 HydrophobicContact CE1-CD1 3.72Å; Y29-L36 HydrophobicContact CE1-CG 4.33Å; Y29-L36 HydrophobicContact CE2-CD1 3.76Å; Y29-L36 HydrophobicContact CG-CD1 3.88Å; L36-T47 CarbonylContact O-C 3.48Å; L36-T47 VanDerWaalsContact O-CA 3.24Å; L36-T47 WeakPolarHBondContact O-CA 3.35Å; L36-Y48 HydrophobicContact CB-CD2 4.33Å; L36-Y48 HydrophobicContact CD2-CD2 3.73Å; L36-Y48 HydrophobicContact CD2-CE2 4.21Å; L36-Y48 HydrophobicContact CG-CD2 4.33Å; L36-Y48 PolarHBondContact N-O 3.18Å; L36-Y48 PolarHBondContact O-N 3.4Å; L36-A305 HydrophobicContact CD1-CB 4Å; L36-A305 HydrophobicContact CD2-CB 3.86Å; L36-T311 HydrophobicContact CD2-CG2 3.73Å; L36-F313 HydrophobicContact CB-CE1 4.21Å; L36-F313 HydrophobicContact CB-CZ 4.21Å; L36-F313 HydrophobicContact CD2-CE1 3.56Å; L36-F313 HydrophobicContact CD2-CZ 4.24Å; L36-F313 HydrophobicContact CG-CE1 4.43Å |
| 37 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.6 | 163.8 | -166.6 | 166.8 | 0 | 0 | 0 | 110.7 | L27 S28 M45 V46 T47 I69 F71 A78 L94 | L27-I37 WeakPolarHBondContact CA-O 3.26Å; S28-I37 PolarHBondContact N-O 2.81Å; S28-I37 PolarHBondContact O-N 3.12Å; I37-M45 HydrophobicContact CD1-CB 4.33Å; I37-M45 HydrophobicContact CG1-CB 4.49Å; I37-V46 CarbonylContact C-O 3.57Å; I37-V46 WeakPolarHBondContact CA-O 3.39Å; I37-T47 HydrophobicContact CB-CG2 4.24Å; I37-T47 HydrophobicContact CD1-CG2 3.92Å; I37-T47 HydrophobicContact CG1-CG2 3.93Å; I37-I69 HydrophobicContact CB-CG1 4.46Å; I37-I69 HydrophobicContact CD1-CD1 3.91Å; I37-I69 HydrophobicContact CD1-CG1 3.71Å; I37-I69 HydrophobicContact CG1-CG1 3.9Å; I37-I69 HydrophobicContact CG2-CG1 3.75Å; I37-I69 HydrophobicContact CG2-CG2 4.26Å; I37-F71 HydrophobicContact CB-CD2 4.3Å; I37-F71 HydrophobicContact CB-CE2 3.66Å; I37-F71 HydrophobicContact CB-CZ 3.94Å; I37-F71 HydrophobicContact CG2-CD2 3.59Å; I37-F71 HydrophobicContact CG2-CE2 3.47Å; I37-F71 VanDerWaalsContact CG2-CE2 3.47Å; I37-F71 HydrophobicContact CG2-CG 4.32Å; I37-F71 HydrophobicContact CG2-CZ 4.09Å; I37-A78 HydrophobicContact CD1-CB 4.16Å; I37-L94 HydrophobicContact CD1-CD1 4.28Å; I37-L94 HydrophobicContact CD1-CD2 3.61Å |
| 38 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 156.8 | 171.1 | 67.3 | 0 | 0 | 0 | 0 | 111 | S26 M45 V46 Y48 | S26-S38 WeakPolarHBondContact O-CA 3.5Å; S38-M45 WeakPolarHBondContact O-CA 3.49Å; S38-V46 PolarHBondContact N-O 2.87Å; S38-V46 PolarHBondContact O-N 2.84Å; S38-V46 PolarHBondContact OG-O 2.91Å; S38-Y48 WeakPolarHBondContact OG-CE2 3.36Å |
| 39 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.7 | 164.1 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | N25 S26 Q44 V66 I69 | N25-S39 PolarHBondContact N-O 2.83Å; S26-S39 PolarHBondContact O-N 2.88Å; S39-Q44 WeakPolarHBondContact CA-O 3.42Å; S39-V66 VanDerWaalsContact CB-CG2 3.45Å; S39-I69 WeakPolarHBondContact OG-CG2 3.41Å |
| 40 | S | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158.1 | -178 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | N20 D22 R23 D42 D43 Q44 V66 | N20-S40 VanDerWaalsContact ND2-CB 3.29Å; N20-S40 WeakPolarHBondContact ND2-CB 3.42Å; D22-S40 VanDerWaalsContact C-OG 3.32Å; D22-S40 PolarHBondContact O-OG 3.42Å; R23-S40 CarbonylContact O-C 3.54Å; R23-S40 WeakPolarHBondContact O-CA 3.42Å; R23-S40 PolarHBondContact O-OG 2.78Å; R23-S40 VanDerWaalsContact O-OG 3.12Å; S40-D42 VanDerWaalsContact CB-OD1 3.23Å; S40-D42 WeakPolarHBondContact CB-OD1 3.25Å; S40-D42 PolarHBondContact O-N 3.03Å; S40-D42 VanDerWaalsContact OG-CG 3.28Å; S40-D42 PolarHBondContact OG-N 2.79Å; S40-D42 PolarHBondContact OG-OD1 2.85Å; S40-D43 PolarHBondContact O-N 3.31Å; S40-Q44 PolarHBondContact N-O 2.78Å; S40-V66 WeakPolarHBondContact O-CG1 3.23Å |
| 41 | D | 97.3 | Very high | 97.5 | Very high | 69 Ų | 69 | 24.9 Ų | 24.9 | 37% | 0.369 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.1 | 171.2 | -80.4 | -25.5 | 0 | 0 | 0 | 113 | D22 R23 N25 D43 | D22-D41 HydrophobicContact CB-CB 4.02Å; R23-D41 PolarHBondContact O-N 2.94Å; N25-D41 VanDerWaalsContact ND2-CG 3.34Å; N25-D41 PolarHBondContact ND2-N 2.79Å; N25-D41 PolarHBondContact ND2-OD1 3.24Å; D41-D43 PolarHBondContact O-N 3.02Å |
| 42 | D | 97.2 | Very high | 97.5 | Very high | 23 Ų | 23 | 25 Ų | 25 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 12.3 | 171.4 | 71.3 | 12.9 | 0 | 0 | 0 | 114.7 | N20 S21 D22 S40 Q44 | N20-D42 WeakPolarHBondContact CA-OD2 3.47Å; N20-D42 WeakPolarHBondContact CB-OD2 3.41Å; N20-D42 PolarHBondContact ND2-OD1 2.85Å; N20-D42 VanDerWaalsContact ND2-OD1 3.08Å; N20-D42 PolarHBondContact ND2-OD2 2.91Å; N20-D42 VanDerWaalsContact ND2-OD2 3.11Å; S21-D42 PolarHBondContact N-OD2 2.88Å; S21-D42 PolarHBondContact OG-OD2 3.2Å; D22-D42 HydrophobicContact CB-CB 3.96Å; S40-D42 VanDerWaalsContact CB-OD1 3.23Å; S40-D42 WeakPolarHBondContact CB-OD1 3.25Å; S40-D42 PolarHBondContact O-N 3.03Å; S40-D42 VanDerWaalsContact OG-CG 3.28Å; S40-D42 PolarHBondContact OG-N 2.79Å; S40-D42 PolarHBondContact OG-OD1 2.85Å; D42-Q44 VanDerWaalsContact C-N 3.26Å; D42-Q44 PolarHBondContact O-N 2.9Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.48Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.44Å; D42-Q44 PolarHBondContact OD1-N 3.31Å |
| 43 | D | 97.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 23 Ų | 23 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 67.5 | 11.9 | -178.7 | -48.2 | -60.5 | 0 | 0 | 0 | 116.2 | S40 D41 S61 K62 G65 K84 | S40-D43 PolarHBondContact O-N 3.31Å; D41-D43 PolarHBondContact O-N 3.02Å; D43-S61 PolarHBondContact O-N 3.22Å; D43-K62 HydrophobicContact CB-CG 4.36Å; D43-G65 VanDerWaalsContact OD1-CA 3.32Å; D43-G65 WeakPolarHBondContact OD1-CA 3.11Å; D43-K84 WeakPolarHBondContact OD1-CE 3.35Å; D43-K84 IonicContact OD1-NZ 3.59Å; D43-K84 PolarHBondContact OD1-NZ 3.02Å; D43-K84 IonicContact OD2-NZ 2.84Å; D43-K84 PolarHBondContact OD2-NZ 2.82Å |
| 44 | Q | 97.2 | Very high | 97.6 | Very high | 38 Ų | 38 | 26 Ų | 26 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 145.4 | 178.9 | -56.7 | -177.1 | 17.6 | 0 | 0 | 112.6 | E19 S39 S40 D42 V46 T58 L59 | E19-Q44 PolarHBondContact O-OE1 2.9Å; S39-Q44 WeakPolarHBondContact CA-O 3.42Å; S40-Q44 PolarHBondContact N-O 2.78Å; D42-Q44 VanDerWaalsContact C-N 3.26Å; D42-Q44 PolarHBondContact O-N 2.9Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.48Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.44Å; D42-Q44 PolarHBondContact OD1-N 3.31Å; Q44-V46 HydrophobicContact CB-CG2 4.4Å; Q44-T58 HydrophobicContact CB-CG2 4.18Å; Q44-T58 HydrophobicContact CG-CG2 4.13Å; Q44-L59 WeakPolarHBondContact CA-O 3.35Å |
| 45 | M | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.5 | 159.9 | -63.8 | 164 | -71 | 0 | 0 | 108.3 | I37 S38 L59 V66 I69 L92 | I37-M45 HydrophobicContact CD1-CB 4.33Å; I37-M45 HydrophobicContact CG1-CB 4.49Å; S38-M45 WeakPolarHBondContact O-CA 3.49Å; M45-L59 HydrophobicContact CB-CB 4.25Å; M45-L59 HydrophobicContact CE-CB 3.91Å; M45-L59 PolarHBondContact N-O 3.34Å; M45-L59 PolarHBondContact O-N 3.43Å; M45-V66 HydrophobicContact CG-CB 4.27Å; M45-V66 HydrophobicContact CG-CG1 4.33Å; M45-V66 HydrophobicContact CG-CG2 3.51Å; M45-V66 HydrophobicContact SD-CG2 3.86Å; M45-I69 HydrophobicContact CG-CD1 4.19Å; M45-I69 HydrophobicContact SD-CD1 3.68Å; M45-L92 HydrophobicContact CE-CD1 4.08Å; M45-L92 HydrophobicContact SD-CD1 4.14Å; M45-L92 HydrophobicContact SD-CD2 4.12Å |
| 46 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.3 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | E19 I37 S38 Q44 Y48 P55 R57 T58 | E19-V46 HydrophobicContact CB-CG1 4.24Å; E19-V46 HydrophobicContact CB-CG2 4.08Å; E19-V46 HydrophobicContact CG-CG1 4.26Å; I37-V46 CarbonylContact C-O 3.57Å; I37-V46 WeakPolarHBondContact CA-O 3.39Å; S38-V46 PolarHBondContact N-O 2.87Å; S38-V46 PolarHBondContact O-N 2.84Å; S38-V46 PolarHBondContact OG-O 2.91Å; Q44-V46 HydrophobicContact CB-CG2 4.4Å; V46-Y48 HydrophobicContact CB-CE1 4.41Å; V46-Y48 HydrophobicContact CB-CE2 3.88Å; V46-Y48 HydrophobicContact CG1-CD1 4.31Å; V46-Y48 HydrophobicContact CG1-CE1 3.62Å; V46-Y48 HydrophobicContact CG1-CE2 3.89Å; V46-Y48 VanDerWaalsContact CG1-CZ 3.41Å; V46-Y48 WeakPolarHBondContact O-CE2 3.16Å; V46-P55 HydrophobicContact CG1-CB 4.4Å; V46-R57 CarbonylContact C-O 3.53Å; V46-R57 WeakPolarHBondContact CA-O 3.46Å; V46-T58 HydrophobicContact CG2-CG2 4.33Å |
| 47 | T | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143.2 | 171.5 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | L36 I37 K56 R57 L94 | L36-T47 CarbonylContact O-C 3.48Å; L36-T47 VanDerWaalsContact O-CA 3.24Å; L36-T47 WeakPolarHBondContact O-CA 3.35Å; I37-T47 HydrophobicContact CB-CG2 4.24Å; I37-T47 HydrophobicContact CD1-CG2 3.92Å; I37-T47 HydrophobicContact CG1-CG2 3.93Å; T47-K56 PolarHBondContact O-N 2.84Å; T47-K56 WeakPolarHBondContact OG1-CB 3.38Å; T47-R57 PolarHBondContact N-O 3.03Å; T47-R57 PolarHBondContact O-N 2.76Å; T47-R57 WeakPolarHBondContact OG1-CB 3.27Å; T47-R57 PolarHBondContact OG1-N 2.84Å; T47-R57 PolarHBondContact OG1-O 3.13Å; T47-L94 HydrophobicContact CG2-CD1 4.36Å; T47-L94 HydrophobicContact CG2-CD2 4.49Å |
| 48 | Y | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.3 | -177 | -54.9 | -86.3 | 0 | 0 | 0 | 110.3 | F17 T35 L36 S38 V46 T54 P55 T311 F313 | F17-Y48 HydrophobicContact CB-CD1 4.37Å; F17-Y48 HydrophobicContact CB-CE1 3.57Å; F17-Y48 AromaticContact CD1-CD1 3.74Å; F17-Y48 HydrophobicContact CD1-CD1 3.74Å; F17-Y48 AromaticContact CD1-CE1 3.71Å; F17-Y48 HydrophobicContact CD1-CE1 3.71Å; F17-Y48 AromaticContact CD2-CD1 3.97Å; F17-Y48 HydrophobicContact CD2-CD1 3.97Å; F17-Y48 AromaticContact CD2-CE1 3.93Å; F17-Y48 HydrophobicContact CD2-CE1 3.93Å; F17-Y48 AromaticContact CE1-CD1 3.94Å; F17-Y48 HydrophobicContact CE1-CD1 3.94Å; F17-Y48 HydrophobicContact CE1-CE1 4.38Å; F17-Y48 HydrophobicContact CE2-CD1 4.14Å; F17-Y48 AromaticContact CG-CD1 3.76Å; F17-Y48 HydrophobicContact CG-CD1 3.76Å; F17-Y48 AromaticContact CG-CE1 3.46Å; F17-Y48 HydrophobicContact CG-CE1 3.46Å; F17-Y48 VanDerWaalsContact CG-CE1 3.46Å; F17-Y48 HydrophobicContact CZ-CD1 4.13Å; T35-Y48 VanDerWaalsContact CA-O 3.31Å; T35-Y48 WeakPolarHBondContact CA-O 3.21Å; T35-Y48 WeakPolarHBondContact CG2-O 3.22Å; L36-Y48 HydrophobicContact CB-CD2 4.33Å; L36-Y48 HydrophobicContact CD2-CD2 3.73Å; L36-Y48 HydrophobicContact CD2-CE2 4.21Å; L36-Y48 HydrophobicContact CG-CD2 4.33Å; L36-Y48 PolarHBondContact N-O 3.18Å; L36-Y48 PolarHBondContact O-N 3.4Å; S38-Y48 WeakPolarHBondContact OG-CE2 3.36Å; V46-Y48 HydrophobicContact CB-CE1 4.41Å; V46-Y48 HydrophobicContact CB-CE2 3.88Å; V46-Y48 HydrophobicContact CG1-CD1 4.31Å; V46-Y48 HydrophobicContact CG1-CE1 3.62Å; V46-Y48 HydrophobicContact CG1-CE2 3.89Å; V46-Y48 VanDerWaalsContact CG1-CZ 3.41Å; V46-Y48 WeakPolarHBondContact O-CE2 3.16Å; Y48-T54 WeakPolarHBondContact CA-O 3.39Å; Y48-P55 HydrophobicContact CD1-CB 4.16Å; Y48-P55 HydrophobicContact CE1-CB 4.25Å; Y48-T311 HydrophobicContact CD2-CG2 4.43Å; Y48-T311 HydrophobicContact CE2-CG2 3.93Å; Y48-T311 PolarHBondContact OH-OG1 2.99Å; Y48-F313 HydrophobicContact CG-CZ 4.23Å |
| 49 | D | 97.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 17% | 0.171 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.3 | 167.8 | -162.4 | -60.8 | 0 | 0 | 0 | 109.7 | S51 S52 G53 T54 K56 | D49-S51 WeakPolarHBondContact OD1-CA 3.2Å; D49-S51 VanDerWaalsContact OD1-CB 3.31Å; D49-S51 WeakPolarHBondContact OD1-CB 3.49Å; D49-S51 PolarHBondContact OD1-N 3.02Å; D49-S52 WeakPolarHBondContact CB-OG 3.23Å; D49-S52 VanDerWaalsContact CG-OG 3.28Å; D49-S52 PolarHBondContact OD1-N 3.21Å; D49-G53 VanDerWaalsContact O-CA 3.24Å; D49-G53 WeakPolarHBondContact O-CA 3.43Å; D49-G53 PolarHBondContact O-N 3.37Å; D49-T54 PolarHBondContact N-O 3.25Å; D49-T54 PolarHBondContact O-N 3.23Å; D49-K56 HydrophobicContact CB-CD 4.26Å; D49-K56 HydrophobicContact CB-CG 4.04Å; D49-K56 WeakPolarHBondContact OD2-CE 3.34Å; D49-K56 IonicContact OD2-NZ 3.96Å; D49-K56 PolarHBondContact OD2-NZ 3.45Å |
| 50 | C | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -34.9 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 112 | Y29 G33 E34 M303 | Y29-C50 VanDerWaalsContact CE1-SG 3.54Å; G33-C50 WeakPolarHBondContact O-CB 3.36Å; G33-C50 PolarHBondContact O-SG 3.43Å; E34-C50 VanDerWaalsContact C-SG 3.52Å; E34-C50 WeakPolarHBondContact O-CB 3.29Å; E34-C50 PolarHBondContact O-N 3.09Å; E34-C50 PolarHBondContact O-SG 3.18Å; C50-M303 HydrophobicContact CB-CE 4.11Å; C50-M303 HydrophobicContact CB-SD 3.88Å; C50-M303 VanDerWaalsContact O-CE 3.27Å; C50-M303 WeakPolarHBondContact O-CE 3.45Å |
| 51 | S | 95.5 | Very high | 96.7 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -44.8 | -175.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | D49 | D49-S51 WeakPolarHBondContact OD1-CA 3.2Å; D49-S51 VanDerWaalsContact OD1-CB 3.31Å; D49-S51 WeakPolarHBondContact OD1-CB 3.49Å; D49-S51 PolarHBondContact OD1-N 3.02Å |
| 52 | S | 95.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -18.1 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | D49 T54 | D49-S52 WeakPolarHBondContact CB-OG 3.23Å; D49-S52 VanDerWaalsContact CG-OG 3.28Å; D49-S52 PolarHBondContact OD1-N 3.21Å; S52-T54 PolarHBondContact OG-OG1 3.13Å |
| 53 | G | 95.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 44.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F17 D49 | F17-G53 VanDerWaalsContact CE1-O 3.32Å; F17-G53 WeakPolarHBondContact CE1-O 3.14Å; F17-G53 WeakPolarHBondContact CZ-O 3.27Å; D49-G53 VanDerWaalsContact O-CA 3.24Å; D49-G53 WeakPolarHBondContact O-CA 3.43Å; D49-G53 PolarHBondContact O-N 3.37Å |
| 54 | T | 96.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.2 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | Y48 D49 S52 | Y48-T54 WeakPolarHBondContact CA-O 3.39Å; D49-T54 PolarHBondContact N-O 3.25Å; D49-T54 PolarHBondContact O-N 3.23Å; S52-T54 PolarHBondContact OG-OG1 3.13Å |
| 55 | P | 96.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 136.8 | 169 | 31.9 | -38.9 | 0 | 0 | 0 | 110.3 | E19 V46 Y48 | E19-P55 HydrophobicContact CG-CB 4.08Å; E19-P55 HydrophobicContact CG-CG 4.41Å; E19-P55 VanDerWaalsContact OE1-CG 3.27Å; E19-P55 WeakPolarHBondContact OE1-CG 3.36Å; V46-P55 HydrophobicContact CG1-CB 4.4Å; Y48-P55 HydrophobicContact CD1-CB 4.16Å; Y48-P55 HydrophobicContact CE1-CB 4.25Å |
| 56 | K | 94.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 48.5 Ų | 48.5 | 46% | 0.457 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -47.8 | 176 | -78.3 | -169.6 | 179.8 | 176.4 | 0 | 112.2 | T47 D49 | T47-K56 PolarHBondContact O-N 2.84Å; T47-K56 WeakPolarHBondContact OG1-CB 3.38Å; D49-K56 HydrophobicContact CB-CD 4.26Å; D49-K56 HydrophobicContact CB-CG 4.04Å; D49-K56 WeakPolarHBondContact OD2-CE 3.34Å; D49-K56 IonicContact OD2-NZ 3.96Å; D49-K56 PolarHBondContact OD2-NZ 3.45Å |
| 57 | R | 94.7 | Very high | 96.6 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 142.7 | -173.5 | -171.5 | 170.4 | -69.5 | 122.5 | 5.5 | 111.4 | V46 T47 L59 L94 | V46-R57 CarbonylContact C-O 3.53Å; V46-R57 WeakPolarHBondContact CA-O 3.46Å; T47-R57 PolarHBondContact N-O 3.03Å; T47-R57 PolarHBondContact O-N 2.76Å; T47-R57 WeakPolarHBondContact OG1-CB 3.27Å; T47-R57 PolarHBondContact OG1-N 2.84Å; T47-R57 PolarHBondContact OG1-O 3.13Å; R57-L59 HydrophobicContact CG-CD2 4.08Å; R57-L59 HydrophobicContact CG-CG 4.24Å; R57-L94 WeakPolarHBondContact CD-O 3.38Å; R57-L94 PolarHBondContact NH1-O 2.59Å |
| 58 | T | 96 | Very high | 96.6 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.2 | 169.2 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | Q44 V46 | Q44-T58 HydrophobicContact CB-CG2 4.18Å; Q44-T58 HydrophobicContact CG-CG2 4.13Å; V46-T58 HydrophobicContact CG2-CG2 4.33Å |
| 59 | L | 96.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.6 | 176.7 | -58.3 | 165.7 | 0 | 0 | 0 | 108.2 | Q44 M45 R57 L92 L94 N97 | Q44-L59 WeakPolarHBondContact CA-O 3.35Å; M45-L59 HydrophobicContact CB-CB 4.25Å; M45-L59 HydrophobicContact CE-CB 3.91Å; M45-L59 PolarHBondContact N-O 3.34Å; M45-L59 PolarHBondContact O-N 3.43Å; R57-L59 HydrophobicContact CG-CD2 4.08Å; R57-L59 HydrophobicContact CG-CG 4.24Å; L59-L92 HydrophobicContact CD1-CD1 3.82Å; L59-L94 HydrophobicContact CD1-CB 4.39Å; L59-L94 HydrophobicContact CD1-CD2 3.4Å; L59-N97 HydrophobicContact CD2-CB 3.86Å; L59-N97 VanDerWaalsContact CD2-OD1 3.28Å; L59-N97 WeakPolarHBondContact CD2-OD1 3.28Å |
| 60 | N | 95.5 | Very high | 96.6 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.7 | -176.1 | -76.3 | -86.5 | 0 | 0 | 0 | 110.6 | K62 | N60-K62 HydrophobicContact CB-CG 4.33Å; N60-K62 WeakPolarHBondContact OD1-CE 3.49Å |
| 61 | S | 95.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -111.4 | 35.5 | 171.7 | -158 | 0 | 0 | 0 | 0 | 112.4 | D43 K63 Y64 G65 Y99 | D43-S61 PolarHBondContact O-N 3.22Å; S61-K63 PolarHBondContact O-N 3.36Å; S61-Y64 PolarHBondContact O-N 3.04Å; S61-G65 PolarHBondContact O-N 3.27Å; S61-G65 PolarHBondContact OG-O 2.84Å; S61-Y99 PolarHBondContact OG-OH 3.03Å | ||
| 62 | K | 96 | Very high | 96.8 | Very high | 137 Ų | 137 | 47.3 Ų | 47.3 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -39.4 | -172.5 | -67.1 | -175.4 | 178.2 | -172.5 | 0 | 115.4 | D43 N60 K84 | D43-K62 HydrophobicContact CB-CG 4.36Å; N60-K62 HydrophobicContact CB-CG 4.33Å; N60-K62 WeakPolarHBondContact OD1-CE 3.49Å; K62-K84 PolarHBondContact O-NZ 3.04Å |
| 63 | K | 97.1 | Very high | 96.8 | Very high | 133 Ų | 133 | 47.3 Ų | 47.3 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -35.9 | -179.9 | -178.6 | 175.3 | 171.1 | -163.6 | 0 | 112.5 | S61 I85 | S61-K63 PolarHBondContact O-N 3.36Å; K63-I85 HydrophobicContact CG-CD1 4.03Å; K63-I85 WeakPolarHBondContact O-CD1 3.14Å |
| 64 | Y | 96.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 48.8 Ų | 48.8 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -15.1 | -167.8 | -49.3 | -69.2 | 0 | 0 | 0 | 114.3 | S61 T83 K84 I85 Y99 | S61-Y64 PolarHBondContact O-N 3.04Å; Y64-T83 PolarHBondContact O-N 2.99Å; Y64-T83 VanDerWaalsContact O-N 3.08Å; Y64-K84 PolarHBondContact O-N 3.11Å; Y64-I85 HydrophobicContact CD1-CB 4.29Å; Y64-I85 HydrophobicContact CD1-CD1 4.44Å; Y64-Y99 HydrophobicContact CD2-CE2 4.18Å; Y64-Y99 HydrophobicContact CE2-CE2 4.03Å |
| 65 | G | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 65.9 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D43 S61 H80 T83 | D43-G65 VanDerWaalsContact OD1-CA 3.32Å; D43-G65 WeakPolarHBondContact OD1-CA 3.11Å; S61-G65 PolarHBondContact O-N 3.27Å; S61-G65 PolarHBondContact OG-O 2.84Å; G65-H80 PolarHBondContact O-CE1 3Å; G65-H80 VanDerWaalsContact O-CE1 3.29Å; G65-T83 WeakPolarHBondContact CA-OG1 3.4Å | ||
| 66 | V | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -144.8 | 134.3 | -176.9 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | S39 S40 M45 H80 T83 | S39-V66 VanDerWaalsContact CB-CG2 3.45Å; S40-V66 WeakPolarHBondContact O-CG1 3.23Å; M45-V66 HydrophobicContact CG-CB 4.27Å; M45-V66 HydrophobicContact CG-CG1 4.33Å; M45-V66 HydrophobicContact CG-CG2 3.51Å; M45-V66 HydrophobicContact SD-CG2 3.86Å; V66-H80 HydrophobicContact CG2-CB 3.83Å; V66-T83 PolarHBondContact N-OG1 2.79Å | ||
| 67 | N | 97.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 167.7 | 167 | -156.1 | -36.4 | 0 | 0 | 0 | 109.4 | N25 I69 A81 T83 | N25-N67 WeakPolarHBondContact CB-OD1 3.41Å; N67-I69 PolarHBondContact O-N 3Å; N67-I69 VanDerWaalsContact O-N 3.15Å; N67-A81 PolarHBondContact N-O 2.96Å; N67-A81 PolarHBondContact O-N 3.27Å; N67-T83 HydrophobicContact CB-CG2 3.43Å; N67-T83 VanDerWaalsContact CB-CG2 3.43Å |
| 68 | L | 97.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 36.6 | 174.8 | -52.5 | 175 | 0 | 0 | 0 | 113.1 | Q70 A81 V110 L113 | L68-Q70 PolarHBondContact O-N 2.82Å; L68-A81 HydrophobicContact CB-CB 4.25Å; L68-A81 HydrophobicContact CD1-CB 4.12Å; L68-A81 HydrophobicContact CG-CB 4.46Å; L68-V110 HydrophobicContact CD1-CG1 4.05Å; L68-V110 WeakPolarHBondContact CD1-O 3.31Å; L68-L113 HydrophobicContact CB-CB 3.97Å; L68-L113 HydrophobicContact CB-CD2 4.41Å; L68-L113 HydrophobicContact CD1-CB 4.32Å; L68-L113 WeakPolarHBondContact O-CD2 3.43Å |
| 69 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 134.6 | 179.3 | -171.1 | 72.5 | 0 | 0 | 0 | 110.6 | S26 I37 S39 M45 N67 A78 I79 H80 L92 | S26-I69 PolarHBondContact OG-O 2.87Å; I37-I69 HydrophobicContact CB-CG1 4.46Å; I37-I69 HydrophobicContact CD1-CD1 3.91Å; I37-I69 HydrophobicContact CD1-CG1 3.71Å; I37-I69 HydrophobicContact CG1-CG1 3.9Å; I37-I69 HydrophobicContact CG2-CG1 3.75Å; I37-I69 HydrophobicContact CG2-CG2 4.26Å; S39-I69 WeakPolarHBondContact OG-CG2 3.41Å; M45-I69 HydrophobicContact CG-CD1 4.19Å; M45-I69 HydrophobicContact SD-CD1 3.68Å; N67-I69 PolarHBondContact O-N 3Å; N67-I69 VanDerWaalsContact O-N 3.15Å; I69-A78 HydrophobicContact CD1-CB 3.81Å; I69-A78 HydrophobicContact CG1-CB 4.44Å; I69-I79 CarbonylContact C-O 3.54Å; I69-I79 WeakPolarHBondContact CA-O 3.49Å; I69-I79 WeakPolarHBondContact CD1-O 3.27Å; I69-H80 HydrophobicContact CB-CB 4.43Å; I69-H80 HydrophobicContact CD1-CB 3.66Å; I69-L92 HydrophobicContact CD1-CD2 4.4Å |
| 70 | Q | 98.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 23% | 0.234 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135 | 175.2 | -65.9 | -60.8 | -39.2 | 0 | 0 | 110.4 | S28 L68 A78 I79 M115 | S28-Q70 WeakPolarHBondContact OG-CA 3.37Å; S28-Q70 PolarHBondContact OG-OE1 3.44Å; L68-Q70 PolarHBondContact O-N 2.82Å; Q70-A78 CarbonylContact O-C 3.59Å; Q70-A78 WeakPolarHBondContact O-CA 3.33Å; Q70-A78 VanDerWaalsContact O-CB 3.3Å; Q70-A78 WeakPolarHBondContact O-CB 3.44Å; Q70-I79 HydrophobicContact CB-CG1 4.08Å; Q70-I79 PolarHBondContact N-O 3.36Å; Q70-I79 PolarHBondContact O-N 2.94Å; Q70-M115 HydrophobicContact CB-CG 4.45Å |
| 71 | F | 98.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 148.4 | 163.9 | -87.6 | -72.7 | 0 | 0 | 0 | 110.2 | S28 Y29 S30 T35 I37 P75 T77 L94 M115 | S28-F71 WeakPolarHBondContact O-CD2 3.23Å; S28-F71 WeakPolarHBondContact O-CE2 3.22Å; S28-F71 PolarHBondContact OG-N 3.24Å; Y29-F71 VanDerWaalsContact C-CD2 3.41Å; S30-F71 VanDerWaalsContact N-CD2 3.25Å; T35-F71 HydrophobicContact CG2-CE2 4.29Å; T35-F71 HydrophobicContact CG2-CZ 3.69Å; I37-F71 HydrophobicContact CB-CD2 4.3Å; I37-F71 HydrophobicContact CB-CE2 3.66Å; I37-F71 HydrophobicContact CB-CZ 3.94Å; I37-F71 HydrophobicContact CG2-CD2 3.59Å; I37-F71 HydrophobicContact CG2-CE2 3.47Å; I37-F71 VanDerWaalsContact CG2-CE2 3.47Å; I37-F71 HydrophobicContact CG2-CG 4.32Å; I37-F71 HydrophobicContact CG2-CZ 4.09Å; F71-P75 VanDerWaalsContact CE1-O 3.31Å; F71-P75 WeakPolarHBondContact CE1-O 3.34Å; F71-T77 WeakPolarHBondContact CD1-O 3.34Å; F71-L94 HydrophobicContact CD1-CD1 4.09Å; F71-L94 HydrophobicContact CE1-CD1 3.34Å; F71-L94 HydrophobicContact CZ-CD1 4.06Å; F71-M115 WeakPolarHBondContact O-CG 3.47Å |
| 72 | T | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | trans | -87.9 | -171.4 | 164.8 | 79.6 | 0 | 0 | 0 | 0 | 110 | S74 T77 I79 Y91 M115 L136 | T72-S74 PolarHBondContact O-N 3.11Å; T72-S74 PolarHBondContact OG1-N 3.11Å; T72-S74 VanDerWaalsContact OG1-N 3.1Å; T72-T77 PolarHBondContact N-O 3.23Å; T72-T77 VanDerWaalsContact N-O 3.14Å; T72-T77 PolarHBondContact OG1-OG1 3.03Å; T72-I79 HydrophobicContact CG2-CG2 4.22Å; T72-Y91 HydrophobicContact CG2-CD2 4.16Å; T72-Y91 HydrophobicContact CG2-CE2 3.63Å; T72-M115 HydrophobicContact CG2-SD 4.33Å; T72-L136 HydrophobicContact CG2-CD1 3.59Å; T72-L136 HydrophobicContact CG2-CD2 4.36Å | ||
| 73 | H | 96.2 | Very high | 97.5 | Very high | 62 Ų | 62 | 27 Ų | 27 | 29% | 0.287 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -63 | -21.5 | 171.3 | -67.1 | -59.2 | 0 | 0 | 0 | 113.6 | S116 P117 D119 D120 | H73-S116 PolarHBondContact CE1-O 2.77Å; H73-S116 PolarHBondContact NE2-O 2.79Å; H73-P117 VanDerWaalsContact CE1-C 3.49Å; H73-P117 PolarHBondContact CE1-O 2.73Å; H73-D119 VanDerWaalsContact CD2-C 3.42Å; H73-D119 PolarHBondContact CD2-O 3.32Å; H73-D119 VanDerWaalsContact CD2-O 3.25Å; H73-D119 VanDerWaalsContact NE2-C 3.31Å; H73-D119 PolarHBondContact NE2-N 2.92Å; H73-D119 PolarHBondContact NE2-O 2.89Å; H73-D120 IonicContact CD2-OD1 2.83Å; H73-D120 PolarHBondContact CD2-OD1 3.07Å |
| 74 | S | 95.2 | Very high | 97.5 | Very high | 40 Ų | 40 | 26 Ų | 26 | 28% | 0.28 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -85.3 | 128.1 | 169.7 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | T72 T76 T77 | T72-S74 PolarHBondContact O-N 3.11Å; T72-S74 PolarHBondContact OG1-N 3.11Å; T72-S74 VanDerWaalsContact OG1-N 3.1Å; S74-T76 PolarHBondContact O-N 3.36Å; S74-T76 PolarHBondContact OG-N 3.39Å; S74-T76 PolarHBondContact OG-OG1 3.26Å; S74-T77 PolarHBondContact O-N 3.36Å |
| 75 | P | 93.5 | Very high | 97.4 | Very high | 56 Ų | 56 | 27 Ų | 27 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -2.9 | 177.1 | 31.6 | -36.3 | 0 | 0 | 0 | 113 | F71 | F71-P75 VanDerWaalsContact CE1-O 3.31Å; F71-P75 WeakPolarHBondContact CE1-O 3.34Å |
| 76 | T | 95.7 | Very high | 97.3 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 36% | 0.362 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 4.6 | -179.3 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | S74 L94 | S74-T76 PolarHBondContact O-N 3.36Å; S74-T76 PolarHBondContact OG-N 3.39Å; S74-T76 PolarHBondContact OG-OG1 3.26Å; T76-L94 VanDerWaalsContact O-CB 3.3Å; T76-L94 WeakPolarHBondContact O-CB 3.32Å; T76-L94 PolarHBondContact O-N 2.98Å |
| 77 | T | 98 | Very high | 97.3 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.3 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | F71 T72 S74 Y91 L92 I100 | F71-T77 WeakPolarHBondContact CD1-O 3.34Å; T72-T77 PolarHBondContact N-O 3.23Å; T72-T77 VanDerWaalsContact N-O 3.14Å; T72-T77 PolarHBondContact OG1-OG1 3.03Å; S74-T77 PolarHBondContact O-N 3.36Å; T77-Y91 VanDerWaalsContact CB-CE2 3.48Å; T77-Y91 HydrophobicContact CG2-CE2 4.25Å; T77-Y91 WeakPolarHBondContact OG1-CE2 3.26Å; T77-Y91 PolarHBondContact OG1-OH 2.79Å; T77-L92 WeakPolarHBondContact CA-O 3.44Å; T77-L92 VanDerWaalsContact CB-O 3.25Å; T77-L92 WeakPolarHBondContact CB-O 3.28Å; T77-I100 HydrophobicContact CG2-CD1 3.91Å |
| 78 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I37 I69 Q70 Y91 L92 L94 | I37-A78 HydrophobicContact CD1-CB 4.16Å; I69-A78 HydrophobicContact CD1-CB 3.81Å; I69-A78 HydrophobicContact CG1-CB 4.44Å; Q70-A78 CarbonylContact O-C 3.59Å; Q70-A78 WeakPolarHBondContact O-CA 3.33Å; Q70-A78 VanDerWaalsContact O-CB 3.3Å; Q70-A78 WeakPolarHBondContact O-CB 3.44Å; A78-Y91 WeakPolarHBondContact O-CD2 3.39Å; A78-L92 HydrophobicContact CB-CD2 4.15Å; A78-L92 HydrophobicContact CB-CG 4.39Å; A78-L92 PolarHBondContact N-O 3.46Å; A78-L92 VanDerWaalsContact N-O 3.09Å; A78-L92 WeakPolarHBondContact O-CD2 3.45Å; A78-L92 PolarHBondContact O-N 2.8Å; A78-L94 HydrophobicContact CB-CD1 4.27Å; A78-L94 HydrophobicContact CB-CD2 4.11Å; A78-L94 HydrophobicContact CB-CG 4.37Å |
| 79 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.3 | 168.1 | 57.8 | 171.4 | 0 | 0 | 0 | 110.5 | I69 Q70 T72 I89 R90 Y91 F103 L113 M115 F122 L136 | I69-I79 CarbonylContact C-O 3.54Å; I69-I79 WeakPolarHBondContact CA-O 3.49Å; I69-I79 WeakPolarHBondContact CD1-O 3.27Å; Q70-I79 HydrophobicContact CB-CG1 4.08Å; Q70-I79 PolarHBondContact N-O 3.36Å; Q70-I79 PolarHBondContact O-N 2.94Å; T72-I79 HydrophobicContact CG2-CG2 4.22Å; I79-I89 HydrophobicContact CB-CG2 4.35Å; I79-R90 CarbonylContact C-O 3.53Å; I79-R90 VanDerWaalsContact CA-O 3.24Å; I79-R90 WeakPolarHBondContact CA-O 3.44Å; I79-Y91 HydrophobicContact CG2-CD2 3.75Å; I79-Y91 HydrophobicContact CG2-CG 4.24Å; I79-F103 HydrophobicContact CG2-CE2 4.46Å; I79-L113 HydrophobicContact CB-CD2 4.42Å; I79-L113 HydrophobicContact CD1-CD1 4.09Å; I79-L113 HydrophobicContact CD1-CD2 3.75Å; I79-L113 HydrophobicContact CD1-CG 3.9Å; I79-L113 HydrophobicContact CG1-CD2 3.82Å; I79-L113 HydrophobicContact CG1-CG 4.48Å; I79-M115 HydrophobicContact CD1-CG 4.13Å; I79-M115 HydrophobicContact CD1-SD 3.56Å; I79-M115 VanDerWaalsContact CD1-SD 3.56Å; I79-M115 HydrophobicContact CG1-SD 4.23Å; I79-F122 HydrophobicContact CD1-CB 4.16Å; I79-F122 HydrophobicContact CD1-CD1 4.15Å; I79-F122 HydrophobicContact CD1-CD2 3.78Å; I79-F122 HydrophobicContact CD1-CE2 4.19Å; I79-F122 HydrophobicContact CD1-CG 3.77Å; I79-L136 HydrophobicContact CG2-CD2 3.61Å |
| 80 | H | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156.7 | 172.5 | 78.2 | 97.9 | 0 | 0 | 0 | 112.2 | G65 V66 I69 I89 R90 Y99 | G65-H80 PolarHBondContact O-CE1 3Å; G65-H80 VanDerWaalsContact O-CE1 3.29Å; V66-H80 HydrophobicContact CG2-CB 3.83Å; I69-H80 HydrophobicContact CB-CB 4.43Å; I69-H80 HydrophobicContact CD1-CB 3.66Å; H80-I89 CarbonylContact O-C 3.42Å; H80-I89 WeakPolarHBondContact O-CA 3.1Å; H80-R90 PolarHBondContact N-O 2.99Å; H80-R90 PolarHBondContact O-N 3.34Å; H80-Y99 AromaticContact NE2-CE1 3.57Å; H80-Y99 AromaticContact NE2-CZ 3.85Å; H80-Y99 PolarHBondContact NE2-OH 3.27Å |
| 81 | A | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 143.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N67 L68 V110 | N67-A81 PolarHBondContact N-O 2.96Å; N67-A81 PolarHBondContact O-N 3.27Å; L68-A81 HydrophobicContact CB-CB 4.25Å; L68-A81 HydrophobicContact CD1-CB 4.12Å; L68-A81 HydrophobicContact CG-CB 4.46Å; A81-V110 HydrophobicContact CB-CB 3.85Å; A81-V110 HydrophobicContact CB-CG1 4.12Å |
| 82 | S | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | trans | -72.4 | 150.2 | 167.5 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | I85 T88 R90 | S82-I85 WeakPolarHBondContact CB-O 3.45Å; S82-I85 PolarHBondContact OG-O 2.89Å; S82-T88 WeakPolarHBondContact CB-O 3.34Å; S82-T88 PolarHBondContact N-O 2.97Å; S82-T88 PolarHBondContact OG-N 2.86Å; S82-T88 PolarHBondContact OG-O 2.9Å; S82-R90 PolarHBondContact OG-NH1 2.74Å; S82-R90 PolarHBondContact OG-NH2 2.89Å | ||
| 83 | T | 97.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 28.5 Ų | 28.5 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -120.5 | -16.4 | 171.6 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | Y64 G65 V66 N67 | Y64-T83 PolarHBondContact O-N 2.99Å; Y64-T83 VanDerWaalsContact O-N 3.08Å; G65-T83 WeakPolarHBondContact CA-OG1 3.4Å; V66-T83 PolarHBondContact N-OG1 2.79Å; N67-T83 HydrophobicContact CB-CG2 3.43Å; N67-T83 VanDerWaalsContact CB-CG2 3.43Å |
| 84 | K | 97.5 | Very high | 97.3 | Very high | 113 Ų | 113 | 26 Ų | 26 | 49% | 0.491 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -106.3 | -47.9 | -175.4 | -64.4 | -175.1 | 177.1 | 176.6 | 0 | 114.6 | D43 K62 Y64 | D43-K84 WeakPolarHBondContact OD1-CE 3.35Å; D43-K84 IonicContact OD1-NZ 3.59Å; D43-K84 PolarHBondContact OD1-NZ 3.02Å; D43-K84 IonicContact OD2-NZ 2.84Å; D43-K84 PolarHBondContact OD2-NZ 2.82Å; K62-K84 PolarHBondContact O-NZ 3.04Å; Y64-K84 PolarHBondContact O-N 3.11Å |
| 85 | I | 95.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 29 Ų | 29 | 37% | 0.369 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -125 | 140.2 | -173.6 | -58.2 | -179.1 | 0 | 0 | 0 | 108.2 | K63 Y64 S82 D87 | K63-I85 HydrophobicContact CG-CD1 4.03Å; K63-I85 WeakPolarHBondContact O-CD1 3.14Å; Y64-I85 HydrophobicContact CD1-CB 4.29Å; Y64-I85 HydrophobicContact CD1-CD1 4.44Å; S82-I85 WeakPolarHBondContact CB-O 3.45Å; S82-I85 PolarHBondContact OG-O 2.89Å; I85-D87 PolarHBondContact O-N 3.2Å |
| 86 | D | 95.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 30.5 Ų | 30.5 | 39% | 0.39 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 4 | 163.1 | 70 | 30 | 0 | 0 | 0 | 119.1 | T88 R90 | D86-T88 PolarHBondContact O-N 2.83Å; D86-T88 PolarHBondContact O-OG1 3.02Å; D86-T88 WeakPolarHBondContact OD1-CB 3.37Å; D86-T88 PolarHBondContact OD1-N 2.64Å; D86-T88 VanDerWaalsContact OD1-N 3.13Å; D86-T88 PolarHBondContact OD1-OG1 2.8Å; D86-R90 IonicContact OD1-NH2 2.88Å; D86-R90 PolarHBondContact OD1-NH2 2.89Å; D86-R90 IonicContact OD2-NH2 3.79Å; D86-R90 PolarHBondContact OD2-NH2 2.96Å |
| 87 | D | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 16.7 | 178.3 | -60.3 | -54.9 | 0 | 0 | 0 | 114.7 | I85 K108 R109 V110 | I85-D87 PolarHBondContact O-N 3.2Å; D87-K108 WeakPolarHBondContact CB-O 3.43Å; D87-K108 WeakPolarHBondContact OD2-CA 3.33Å; D87-K108 PolarHBondContact OD2-N 3.45Å; D87-R109 VanDerWaalsContact CG-N 3.31Å; D87-R109 VanDerWaalsContact OD1-CA 3.23Å; D87-R109 WeakPolarHBondContact OD1-CA 3.28Å; D87-R109 PolarHBondContact OD1-N 2.79Å; D87-R109 PolarHBondContact OD2-N 3.14Å; D87-V110 WeakPolarHBondContact O-CG2 3.42Å |
| 88 | T | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | trans | -68.5 | 146.4 | -174.6 | -63 | 0 | 0 | 0 | 0 | 110.7 | S82 D86 R90 Q104 | S82-T88 WeakPolarHBondContact CB-O 3.34Å; S82-T88 PolarHBondContact N-O 2.97Å; S82-T88 PolarHBondContact OG-N 2.86Å; S82-T88 PolarHBondContact OG-O 2.9Å; D86-T88 PolarHBondContact O-N 2.83Å; D86-T88 PolarHBondContact O-OG1 3.02Å; D86-T88 WeakPolarHBondContact OD1-CB 3.37Å; D86-T88 PolarHBondContact OD1-N 2.64Å; D86-T88 VanDerWaalsContact OD1-N 3.13Å; D86-T88 PolarHBondContact OD1-OG1 2.8Å; T88-R90 HydrophobicContact CG2-CG 4.11Å; T88-Q104 HydrophobicContact CG2-CG 3.68Å | ||
| 89 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130 | 165.2 | -57.8 | 160.8 | 0 | 0 | 0 | 107.4 | I79 H80 F103 V110 L113 F122 S124 | I79-I89 HydrophobicContact CB-CG2 4.35Å; H80-I89 CarbonylContact O-C 3.42Å; H80-I89 WeakPolarHBondContact O-CA 3.1Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 4.06Å; I89-F103 HydrophobicContact CG2-CD2 3.96Å; I89-F103 PolarHBondContact N-O 3.13Å; I89-F103 WeakPolarHBondContact O-CD2 3.44Å; I89-F103 PolarHBondContact O-N 2.66Å; I89-V110 HydrophobicContact CD1-CG1 4.27Å; I89-V110 HydrophobicContact CD1-CG2 4.18Å; I89-V110 HydrophobicContact CG1-CG1 4.39Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; I89-L113 HydrophobicContact CD1-CD1 3.82Å; I89-L113 HydrophobicContact CG1-CD1 4.34Å; I89-L113 HydrophobicContact CG2-CD1 4.1Å; I89-L113 HydrophobicContact CG2-CD2 4.36Å; I89-F122 HydrophobicContact CD1-CE2 4.04Å; I89-F122 HydrophobicContact CG2-CE2 4.04Å; I89-F122 HydrophobicContact CG2-CZ 4.21Å; I89-S124 WeakPolarHBondContact CD1-OG 3.42Å |
| 90 | R | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.5 | -176.8 | -60.4 | -163.1 | -176.9 | 68.6 | 16.3 | 111.2 | I79 H80 S82 D86 T88 Y99 Y102 | I79-R90 CarbonylContact C-O 3.53Å; I79-R90 VanDerWaalsContact CA-O 3.24Å; I79-R90 WeakPolarHBondContact CA-O 3.44Å; H80-R90 PolarHBondContact N-O 2.99Å; H80-R90 PolarHBondContact O-N 3.34Å; S82-R90 PolarHBondContact OG-NH1 2.74Å; S82-R90 PolarHBondContact OG-NH2 2.89Å; D86-R90 IonicContact OD1-NH2 2.88Å; D86-R90 PolarHBondContact OD1-NH2 2.89Å; D86-R90 IonicContact OD2-NH2 3.79Å; D86-R90 PolarHBondContact OD2-NH2 2.96Å; T88-R90 HydrophobicContact CG2-CG 4.11Å; R90-Y99 HydrophobicContact CB-CD1 3.67Å; R90-Y99 HydrophobicContact CB-CE1 3.48Å; R90-Y99 VanDerWaalsContact CB-CE1 3.48Å; R90-Y99 VanDerWaalsContact CD-CZ 3.48Å; R90-Y99 HydrophobicContact CG-CD1 4.38Å; R90-Y99 HydrophobicContact CG-CE1 4.12Å; R90-Y102 HydrophobicContact CG-CD1 4.12Å |
| 91 | Y | 98.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 49 Ų | 49 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.6 | 174.5 | 180 | -147.2 | 0 | 0 | 0 | 109.9 | T72 T77 A78 I79 Y99 I100 R101 L136 | T72-Y91 HydrophobicContact CG2-CD2 4.16Å; T72-Y91 HydrophobicContact CG2-CE2 3.63Å; T77-Y91 VanDerWaalsContact CB-CE2 3.48Å; T77-Y91 HydrophobicContact CG2-CE2 4.25Å; T77-Y91 WeakPolarHBondContact OG1-CE2 3.26Å; T77-Y91 PolarHBondContact OG1-OH 2.79Å; A78-Y91 WeakPolarHBondContact O-CD2 3.39Å; I79-Y91 HydrophobicContact CG2-CD2 3.75Å; I79-Y91 HydrophobicContact CG2-CG 4.24Å; Y91-Y99 CarbonylContact O-C 3.6Å; Y91-Y99 WeakPolarHBondContact O-CA 3.23Å; Y91-I100 HydrophobicContact CD1-CB 3.63Å; Y91-I100 HydrophobicContact CD1-CD1 4.07Å; Y91-I100 HydrophobicContact CD1-CG1 4.45Å; Y91-I100 HydrophobicContact CD1-CG2 3.72Å; Y91-I100 HydrophobicContact CD2-CD1 4.43Å; Y91-I100 HydrophobicContact CE1-CB 3.91Å; Y91-I100 HydrophobicContact CE1-CD1 3.64Å; Y91-I100 HydrophobicContact CE1-CG1 4.39Å; Y91-I100 HydrophobicContact CE1-CG2 3.68Å; Y91-I100 HydrophobicContact CE2-CD1 4.03Å; Y91-I100 HydrophobicContact CG-CB 4.21Å; Y91-I100 HydrophobicContact CG-CD1 4.42Å; Y91-I100 PolarHBondContact O-N 3.49Å; Y91-R101 HydrophobicContact CD1-CB 4.08Å; Y91-R101 PolarHBondContact N-O 2.78Å; Y91-R101 PolarHBondContact O-N 2.9Å; Y91-L136 HydrophobicContact CD1-CB 4.5Å; Y91-L136 HydrophobicContact CD1-CD2 4.26Å; Y91-L136 HydrophobicContact CD2-CD2 4.04Å; Y91-L136 HydrophobicContact CE1-CB 4.18Å; Y91-L136 HydrophobicContact CE1-CD2 4.47Å; Y91-L136 HydrophobicContact CE2-CD1 4.37Å; Y91-L136 HydrophobicContact CE2-CD2 4.26Å; Y91-L136 HydrophobicContact CG-CD2 4.07Å |
| 92 | L | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.2 | -174.1 | 67.8 | 143.7 | 0 | 0 | 0 | 114.2 | M45 L59 I69 T77 A78 L94 K98 Y99 | M45-L92 HydrophobicContact CE-CD1 4.08Å; M45-L92 HydrophobicContact SD-CD1 4.14Å; M45-L92 HydrophobicContact SD-CD2 4.12Å; L59-L92 HydrophobicContact CD1-CD1 3.82Å; I69-L92 HydrophobicContact CD1-CD2 4.4Å; T77-L92 WeakPolarHBondContact CA-O 3.44Å; T77-L92 VanDerWaalsContact CB-O 3.25Å; T77-L92 WeakPolarHBondContact CB-O 3.28Å; A78-L92 HydrophobicContact CB-CD2 4.15Å; A78-L92 HydrophobicContact CB-CG 4.39Å; A78-L92 PolarHBondContact N-O 3.46Å; A78-L92 VanDerWaalsContact N-O 3.09Å; A78-L92 WeakPolarHBondContact O-CD2 3.45Å; A78-L92 PolarHBondContact O-N 2.8Å; L92-L94 HydrophobicContact CD1-CD2 3.46Å; L92-L94 VanDerWaalsContact CD1-CD2 3.46Å; L92-L94 HydrophobicContact CD1-CG 4.43Å; L92-L94 HydrophobicContact CG-CD2 4.13Å; L92-K98 WeakPolarHBondContact CA-O 3.41Å; L92-Y99 HydrophobicContact CB-CD1 3.89Å; L92-Y99 HydrophobicContact CB-CE1 4.12Å |
| 93 | S | 97 | Very high | 96.6 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.1 | 162.1 | 172.7 | 0 | 0 | 0 | 0 | 109 | H95 D96 N97 K98 | S93-H95 VanDerWaalsContact C-N 3.29Å; S93-H95 PolarHBondContact O-N 2.74Å; S93-H95 PolarHBondContact OG-CE1 3.24Å; S93-H95 PolarHBondContact OG-ND1 3.27Å; S93-D96 WeakPolarHBondContact CB-OD2 3.29Å; S93-D96 WeakPolarHBondContact OG-CB 3.5Å; S93-D96 VanDerWaalsContact OG-CG 3.28Å; S93-D96 PolarHBondContact OG-N 3.14Å; S93-D96 PolarHBondContact OG-OD2 3.2Å; S93-N97 WeakPolarHBondContact O-CA 3.29Å; S93-N97 PolarHBondContact O-N 2.98Å; S93-K98 PolarHBondContact N-O 3.06Å; S93-K98 PolarHBondContact O-N 3.31Å |
| 94 | L | 95.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.8 | -178.9 | -60.4 | 171.7 | 0 | 0 | 0 | 112.9 | I37 T47 R57 L59 F71 T76 A78 L92 | I37-L94 HydrophobicContact CD1-CD1 4.28Å; I37-L94 HydrophobicContact CD1-CD2 3.61Å; T47-L94 HydrophobicContact CG2-CD1 4.36Å; T47-L94 HydrophobicContact CG2-CD2 4.49Å; R57-L94 WeakPolarHBondContact CD-O 3.38Å; R57-L94 PolarHBondContact NH1-O 2.59Å; L59-L94 HydrophobicContact CD1-CB 4.39Å; L59-L94 HydrophobicContact CD1-CD2 3.4Å; F71-L94 HydrophobicContact CD1-CD1 4.09Å; F71-L94 HydrophobicContact CE1-CD1 3.34Å; F71-L94 HydrophobicContact CZ-CD1 4.06Å; T76-L94 VanDerWaalsContact O-CB 3.3Å; T76-L94 WeakPolarHBondContact O-CB 3.32Å; T76-L94 PolarHBondContact O-N 2.98Å; A78-L94 HydrophobicContact CB-CD1 4.27Å; A78-L94 HydrophobicContact CB-CD2 4.11Å; A78-L94 HydrophobicContact CB-CG 4.37Å; L92-L94 HydrophobicContact CD1-CD2 3.46Å; L92-L94 VanDerWaalsContact CD1-CD2 3.46Å; L92-L94 HydrophobicContact CD1-CG 4.43Å; L92-L94 HydrophobicContact CG-CD2 4.13Å |
| 95 | H | 92.6 | Very high | 96.5 | Very high | 104 Ų | 104 | 55 Ų | 55 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -38.4 | 178.6 | 64 | -82.2 | 0 | 0 | 0 | 111.9 | S93 | S93-H95 VanDerWaalsContact C-N 3.29Å; S93-H95 PolarHBondContact O-N 2.74Å; S93-H95 PolarHBondContact OG-CE1 3.24Å; S93-H95 PolarHBondContact OG-ND1 3.27Å |
| 96 | D | 93.5 | Very high | 96.7 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.8 | 178.2 | -56.5 | -50.6 | 0 | 0 | 0 | 113.6 | S93 K98 | S93-D96 WeakPolarHBondContact CB-OD2 3.29Å; S93-D96 WeakPolarHBondContact OG-CB 3.5Å; S93-D96 VanDerWaalsContact OG-CG 3.28Å; S93-D96 PolarHBondContact OG-N 3.14Å; S93-D96 PolarHBondContact OG-OD2 3.2Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 HydrophobicContact CB-CB 4.25Å; D96-K98 HydrophobicContact CB-CD 4.22Å; D96-K98 HydrophobicContact CB-CG 4.25Å; D96-K98 PolarHBondContact O-N 2.88Å |
| 97 | N | 91.3 | Very high | 96.7 | Very high | 105 Ų | 105 | 54 Ų | 54 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 47.6 | -170.8 | -172.3 | 26.2 | 0 | 0 | 0 | 111.9 | L59 S93 | L59-N97 HydrophobicContact CD2-CB 3.86Å; L59-N97 VanDerWaalsContact CD2-OD1 3.28Å; L59-N97 WeakPolarHBondContact CD2-OD1 3.28Å; S93-N97 WeakPolarHBondContact O-CA 3.29Å; S93-N97 PolarHBondContact O-N 2.98Å |
| 98 | K | 95.5 | Very high | 96.8 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.5 | -178.6 | -71.3 | 176.6 | -172.3 | 173.7 | 0 | 110.9 | L92 S93 D96 | L92-K98 WeakPolarHBondContact CA-O 3.41Å; S93-K98 PolarHBondContact N-O 3.06Å; S93-K98 PolarHBondContact O-N 3.31Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 HydrophobicContact CB-CB 4.25Å; D96-K98 HydrophobicContact CB-CD 4.22Å; D96-K98 HydrophobicContact CB-CG 4.25Å; D96-K98 PolarHBondContact O-N 2.88Å |
| 99 | Y | 97 | Very high | 96.7 | Very high | 59 Ų | 59 | 64.4 Ų | 64.4 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.9 | 167.6 | -68.1 | -61.4 | 0 | 0 | 0 | 109.9 | S61 Y64 H80 R90 Y91 L92 Y102 | S61-Y99 PolarHBondContact OG-OH 3.03Å; Y64-Y99 HydrophobicContact CD2-CE2 4.18Å; Y64-Y99 HydrophobicContact CE2-CE2 4.03Å; H80-Y99 AromaticContact NE2-CE1 3.57Å; H80-Y99 AromaticContact NE2-CZ 3.85Å; H80-Y99 PolarHBondContact NE2-OH 3.27Å; R90-Y99 HydrophobicContact CB-CD1 3.67Å; R90-Y99 HydrophobicContact CB-CE1 3.48Å; R90-Y99 VanDerWaalsContact CB-CE1 3.48Å; R90-Y99 VanDerWaalsContact CD-CZ 3.48Å; R90-Y99 HydrophobicContact CG-CD1 4.38Å; R90-Y99 HydrophobicContact CG-CE1 4.12Å; Y91-Y99 CarbonylContact O-C 3.6Å; Y91-Y99 WeakPolarHBondContact O-CA 3.23Å; L92-Y99 HydrophobicContact CB-CD1 3.89Å; L92-Y99 HydrophobicContact CB-CE1 4.12Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.11Å; Y99-Y102 HydrophobicContact CD2-CE1 4Å; Y99-Y102 AromaticContact CG-CE1 3.81Å; Y99-Y102 HydrophobicContact CG-CE1 3.81Å |
| 100 | I | 97.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -41.6 | 175.7 | -58.5 | 165.3 | 0 | 0 | 0 | 109.2 | T77 Y91 | T77-I100 HydrophobicContact CG2-CD1 3.91Å; Y91-I100 HydrophobicContact CD1-CB 3.63Å; Y91-I100 HydrophobicContact CD1-CD1 4.07Å; Y91-I100 HydrophobicContact CD1-CG1 4.45Å; Y91-I100 HydrophobicContact CD1-CG2 3.72Å; Y91-I100 HydrophobicContact CD2-CD1 4.43Å; Y91-I100 HydrophobicContact CE1-CB 3.91Å; Y91-I100 HydrophobicContact CE1-CD1 3.64Å; Y91-I100 HydrophobicContact CE1-CG1 4.39Å; Y91-I100 HydrophobicContact CE1-CG2 3.68Å; Y91-I100 HydrophobicContact CE2-CD1 4.03Å; Y91-I100 HydrophobicContact CG-CB 4.21Å; Y91-I100 HydrophobicContact CG-CD1 4.42Å; Y91-I100 PolarHBondContact O-N 3.49Å |
| 101 | R | 97.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 159.6 | -175 | -162.4 | 175.4 | -66.4 | -70.8 | 4.1 | 112.6 | Y91 F103 L136 R137 S138 P139 | Y91-R101 HydrophobicContact CD1-CB 4.08Å; Y91-R101 PolarHBondContact N-O 2.78Å; Y91-R101 PolarHBondContact O-N 2.9Å; R101-F103 HydrophobicContact CB-CZ 4.48Å; R101-F103 HydrophobicContact CG-CE1 4.28Å; R101-F103 HydrophobicContact CG-CZ 4.37Å; R101-L136 WeakPolarHBondContact CD-O 3.36Å; R101-L136 PolarHBondContact NE-O 3.2Å; R101-R137 PolarHBondContact NH2-O 3.41Å; R101-R137 VanDerWaalsContact NH2-O 3.07Å; R101-S138 WeakPolarHBondContact CD-O 3.09Å; R101-P139 HydrophobicContact CG-CB 4.21Å |
| 102 | Y | 97.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.9 | 176.7 | -44.2 | -81.3 | 0 | 0 | 0 | 109.3 | R90 Y99 | R90-Y102 HydrophobicContact CG-CD1 4.12Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.11Å; Y99-Y102 HydrophobicContact CD2-CE1 4Å; Y99-Y102 AromaticContact CG-CE1 3.81Å; Y99-Y102 HydrophobicContact CG-CE1 3.81Å |
| 103 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 86.4 | 178.2 | -53.1 | -77.5 | 0 | 0 | 0 | 109.3 | I79 I89 R101 S105 F122 W134 L136 S138 | I79-F103 HydrophobicContact CG2-CE2 4.46Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 4.06Å; I89-F103 HydrophobicContact CG2-CD2 3.96Å; I89-F103 PolarHBondContact N-O 3.13Å; I89-F103 WeakPolarHBondContact O-CD2 3.44Å; I89-F103 PolarHBondContact O-N 2.66Å; R101-F103 HydrophobicContact CB-CZ 4.48Å; R101-F103 HydrophobicContact CG-CE1 4.28Å; R101-F103 HydrophobicContact CG-CZ 4.37Å; F103-S105 PolarHBondContact O-N 3.35Å; F103-F122 HydrophobicContact CD1-CE1 4.46Å; F103-F122 HydrophobicContact CD1-CZ 4.16Å; F103-F122 HydrophobicContact CD2-CE1 4.13Å; F103-F122 AromaticContact CD2-CZ 3.53Å; F103-F122 HydrophobicContact CD2-CZ 3.53Å; F103-F122 HydrophobicContact CE1-CE1 4.01Å; F103-F122 HydrophobicContact CE1-CZ 4.15Å; F103-F122 AromaticContact CE2-CE1 3.64Å; F103-F122 HydrophobicContact CE2-CE1 3.64Å; F103-F122 AromaticContact CE2-CZ 3.52Å; F103-F122 HydrophobicContact CE2-CZ 3.52Å; F103-F122 AromaticContact CG-CZ 3.86Å; F103-F122 HydrophobicContact CG-CZ 3.86Å; F103-F122 AromaticContact CZ-CE1 3.6Å; F103-F122 HydrophobicContact CZ-CE1 3.6Å; F103-F122 AromaticContact CZ-CZ 3.87Å; F103-F122 HydrophobicContact CZ-CZ 3.87Å; F103-W134 HydrophobicContact CB-CD2 4.11Å; F103-W134 HydrophobicContact CB-CE3 3.77Å; F103-W134 HydrophobicContact CB-CH2 3.86Å; F103-W134 HydrophobicContact CB-CZ2 4.23Å; F103-W134 HydrophobicContact CB-CZ3 3.65Å; F103-W134 HydrophobicContact CD1-CD2 4.25Å; F103-W134 AromaticContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CZ3 4.2Å; F103-W134 HydrophobicContact CG-CD2 4.37Å; F103-W134 HydrophobicContact CG-CE3 4.07Å; F103-W134 HydrophobicContact CG-CZ3 4.38Å; F103-L136 HydrophobicContact CE2-CD2 4.29Å; F103-L136 HydrophobicContact CZ-CD2 3.98Å; F103-S138 VanDerWaalsContact CE1-O 3.28Å; F103-S138 WeakPolarHBondContact CE1-O 3.34Å |
| 104 | Q | 97.3 | Very high | 96.7 | Very high | 133 Ų | 133 | 66.4 Ų | 66.4 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | trans | -98.6 | 78 | -168.9 | -60.4 | -176.8 | -68.6 | 0 | 0 | 111 | T88 | T88-Q104 HydrophobicContact CG2-CG 3.68Š| ||
| 105 | S | 95.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 67.2 Ų | 67.2 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | trans | -141.5 | -11.8 | 172.6 | -46.6 | 0 | 0 | 0 | 0 | 115 | F103 R132 W134 | F103-S105 PolarHBondContact O-N 3.35Å; S105-R132 VanDerWaalsContact CB-CZ 3.49Å; S105-R132 VanDerWaalsContact CB-NH1 3.32Å; S105-R132 PolarHBondContact O-NH2 3.45Å; S105-W134 WeakPolarHBondContact OG-CH2 3.43Å | ||
| 106 | H | 98.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | trans | -74.8 | 140.5 | 170.1 | -78.1 | -55.3 | 0 | 0 | 0 | 110.5 | V110 S124 S126 D128 T130 R132 | H106-V110 HydrophobicContact CB-CG2 4.14Å; H106-S124 PolarHBondContact CD2-OG 2.84Å; H106-S124 PolarHBondContact NE2-OG 3.06Å; H106-S126 WeakPolarHBondContact CE1-CB 3.24Å; H106-S126 WeakPolarHBondContact ND1-CB 3.4Å; H106-D128 WeakPolarHBondContact CA-OD2 3.16Å; H106-D128 IonicContact CE1-OD1 3.14Å; H106-D128 IonicContact CE1-OD2 3.32Å; H106-D128 IonicContact CG-OD2 3.66Å; H106-D128 IonicContact ND1-OD1 2.68Å; H106-D128 PolarHBondContact ND1-OD1 2.94Å; H106-D128 IonicContact ND1-OD2 3.99Å; H106-D128 PolarHBondContact ND1-OD2 3.18Å; H106-T130 PolarHBondContact CE1-OG1 3.46Å; H106-T130 PolarHBondContact ND1-OG1 2.97Å; H106-R132 VanDerWaalsContact CE1-CD 3.43Å; H106-R132 WeakPolarHBondContact CE1-CD 3.36Å | ||
| 107 | T | 97.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 68% | 0.681 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -111 | -0.1 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | D128 | T107-D128 PolarHBondContact N-OD2 3.09Å; T107-D128 WeakPolarHBondContact OG1-CB 3.46Å |
| 108 | K | 98 | Very high | 97.4 | Very high | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -145.8 | 170.1 | 172.5 | -60.2 | -175.9 | -177.8 | 172.6 | 0 | 109 | D87 V110 S126 M127 D128 | D87-K108 WeakPolarHBondContact CB-O 3.43Å; D87-K108 WeakPolarHBondContact OD2-CA 3.33Å; D87-K108 PolarHBondContact OD2-N 3.45Å; K108-V110 PolarHBondContact O-N 3.13Å; K108-S126 PolarHBondContact O-OG 3.05Å; K108-M127 HydrophobicContact CB-CB 4.01Å; K108-M127 HydrophobicContact CD-CB 4.37Å; K108-M127 WeakPolarHBondContact CD-O 3.35Å; K108-D128 HydrophobicContact CB-CB 4Å; K108-D128 HydrophobicContact CD-CB 4.45Å; K108-D128 HydrophobicContact CG-CB 4.11Å |
| 109 | R | 97.4 | Very high | 97.4 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | trans | -45.7 | 126.5 | -178.3 | -173.9 | 170.1 | -68.7 | -178.1 | -3 | 113.7 | D87 V111 S126 M127 | D87-R109 VanDerWaalsContact CG-N 3.31Å; D87-R109 VanDerWaalsContact OD1-CA 3.23Å; D87-R109 WeakPolarHBondContact OD1-CA 3.28Å; D87-R109 PolarHBondContact OD1-N 2.79Å; D87-R109 PolarHBondContact OD2-N 3.14Å; R109-V111 HydrophobicContact CG-CG1 4.2Å; R109-S126 WeakPolarHBondContact O-CA 3.19Å; R109-S126 PolarHBondContact O-OG 2.46Å; R109-S126 VanDerWaalsContact O-OG 3.13Å; R109-M127 PolarHBondContact O-N 3.35Å | ||
| 110 | V | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.8 | 167.7 | -176.8 | 0 | 0 | 0 | 0 | 109 | L68 A81 D87 I89 H106 K108 S112 | L68-V110 HydrophobicContact CD1-CG1 4.05Å; L68-V110 WeakPolarHBondContact CD1-O 3.31Å; A81-V110 HydrophobicContact CB-CB 3.85Å; A81-V110 HydrophobicContact CB-CG1 4.12Å; D87-V110 WeakPolarHBondContact O-CG2 3.42Å; I89-V110 HydrophobicContact CD1-CG1 4.27Å; I89-V110 HydrophobicContact CD1-CG2 4.18Å; I89-V110 HydrophobicContact CG1-CG1 4.39Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; H106-V110 HydrophobicContact CB-CG2 4.14Å; K108-V110 PolarHBondContact O-N 3.13Å; V110-S112 WeakPolarHBondContact CG1-O 3.25Å |
| 111 | V | 97.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | -4.3 | -171.7 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | R109 G125 M127 R150 P151 | R109-V111 HydrophobicContact CG-CG1 4.2Å; V111-G125 WeakPolarHBondContact CG2-O 3.44Å; V111-G125 PolarHBondContact N-O 3Å; V111-M127 HydrophobicContact CG1-CG 3.71Å; V111-M127 HydrophobicContact CG1-SD 4.06Å; V111-M127 HydrophobicContact CG2-CG 4.5Å; V111-M127 HydrophobicContact CG2-SD 4.32Å; V111-R150 HydrophobicContact CG2-CG 4.04Å; V111-R150 PolarHBondContact O-NH2 2.99Å; V111-P151 HydrophobicContact CG2-CG 4.28Å |
| 112 | S | 97.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 135 | 174.2 | -165.9 | 0 | 0 | 0 | 0 | 108.4 | V110 S124 G125 A153 | V110-S112 WeakPolarHBondContact CG1-O 3.25Å; S112-S124 CarbonylContact O-C 3.57Å; S112-S124 VanDerWaalsContact O-CA 3.25Å; S112-S124 WeakPolarHBondContact O-CA 3.48Å; S112-G125 PolarHBondContact N-O 3.14Å; S112-G125 VanDerWaalsContact N-O 3.14Å; S112-G125 PolarHBondContact O-N 2.71Å; S112-A153 PolarHBondContact OG-N 3.48Å |
| 113 | L | 98.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 127 | 175.6 | -165.9 | 68.4 | 0 | 0 | 0 | 108.7 | L68 I79 I89 F122 L123 | L68-L113 HydrophobicContact CB-CB 3.97Å; L68-L113 HydrophobicContact CB-CD2 4.41Å; L68-L113 HydrophobicContact CD1-CB 4.32Å; L68-L113 WeakPolarHBondContact O-CD2 3.43Å; I79-L113 HydrophobicContact CB-CD2 4.42Å; I79-L113 HydrophobicContact CD1-CD1 4.09Å; I79-L113 HydrophobicContact CD1-CD2 3.75Å; I79-L113 HydrophobicContact CD1-CG 3.9Å; I79-L113 HydrophobicContact CG1-CD2 3.82Å; I79-L113 HydrophobicContact CG1-CG 4.48Å; I89-L113 HydrophobicContact CD1-CD1 3.82Å; I89-L113 HydrophobicContact CG1-CD1 4.34Å; I89-L113 HydrophobicContact CG2-CD1 4.1Å; I89-L113 HydrophobicContact CG2-CD2 4.36Å; L113-F122 HydrophobicContact CD1-CD2 3.78Å; L113-F122 HydrophobicContact CD1-CE2 3.91Å; L113-L123 WeakPolarHBondContact CA-O 3.32Å |
| 114 | C | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 120.8 | -176 | -178.8 | 0 | 0 | 0 | 0 | 110 | F122 L123 | C114-F122 CarbonylContact O-C 3.6Å; C114-F122 WeakPolarHBondContact O-CA 3.42Å; C114-F122 VanDerWaalsContact O-CB 3.32Å; C114-F122 WeakPolarHBondContact O-CB 3.4Å; C114-L123 PolarHBondContact N-O 3.25Å; C114-L123 PolarHBondContact O-N 3.17Å |
| 115 | M | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.4 | 170.4 | -76.4 | -64.2 | -51.1 | 0 | 0 | 110.5 | Q70 F71 T72 I79 F122 L136 | Q70-M115 HydrophobicContact CB-CG 4.45Å; F71-M115 WeakPolarHBondContact O-CG 3.47Å; T72-M115 HydrophobicContact CG2-SD 4.33Å; I79-M115 HydrophobicContact CD1-CG 4.13Å; I79-M115 HydrophobicContact CD1-SD 3.56Å; I79-M115 VanDerWaalsContact CD1-SD 3.56Å; I79-M115 HydrophobicContact CG1-SD 4.23Å; M115-F122 HydrophobicContact CE-CB 4.49Å; M115-F122 HydrophobicContact SD-CB 3.64Å; M115-F122 HydrophobicContact SD-CD1 4.31Å; M115-F122 HydrophobicContact SD-CG 4.22Å; M115-L136 HydrophobicContact CE-CD1 3.92Å; M115-L136 HydrophobicContact SD-CD1 4.46Å |
| 116 | S | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -60 | 145.5 | 163.9 | 168.2 | 0 | 0 | 0 | 0 | 109.8 | H73 I118 D119 T121 | H73-S116 PolarHBondContact CE1-O 2.77Å; H73-S116 PolarHBondContact NE2-O 2.79Å; S116-I118 VanDerWaalsContact C-N 3.33Å; S116-I118 PolarHBondContact OG-N 2.84Å; S116-D119 WeakPolarHBondContact CB-O 3.17Å; S116-D119 WeakPolarHBondContact CB-OD1 3.17Å; S116-D119 PolarHBondContact OG-N 2.92Å; S116-D119 PolarHBondContact OG-OD1 3.25Å; S116-T121 WeakPolarHBondContact CB-O 3.48Å; S116-T121 WeakPolarHBondContact CB-OG1 3.18Å; S116-T121 PolarHBondContact N-O 2.83Å | ||
| 117 | P | 96.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 41 Ų | 41 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -80.8 | -14.4 | 175.3 | 29.5 | -30.5 | 0 | 0 | 0 | 113.2 | H73 F155 D156 P157 | H73-P117 VanDerWaalsContact CE1-C 3.49Å; H73-P117 PolarHBondContact CE1-O 2.73Å; P117-F155 HydrophobicContact CG-CB 4.46Å; P117-D156 VanDerWaalsContact CG-O 3.32Å; P117-D156 WeakPolarHBondContact CG-O 3.47Å; P117-P157 VanDerWaalsContact CG-O 3.3Å; P117-P157 WeakPolarHBondContact CG-O 3.24Å |
| 118 | I | 95.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 55% | 0.554 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -108.9 | -34.9 | -172 | -58 | -52.7 | 0 | 0 | 0 | 112.9 | S116 E158 | S116-I118 VanDerWaalsContact C-N 3.33Å; S116-I118 PolarHBondContact OG-N 2.84Å; I118-E158 WeakPolarHBondContact CG1-O 3.32Å |
| 119 | D | 95.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 33.6 Ų | 33.6 | 33% | 0.326 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -144.2 | 172.5 | -170.4 | 68.5 | 9 | 0 | 0 | 0 | 113.6 | H73 S116 T121 | H73-D119 VanDerWaalsContact CD2-C 3.42Å; H73-D119 PolarHBondContact CD2-O 3.32Å; H73-D119 VanDerWaalsContact CD2-O 3.25Å; H73-D119 VanDerWaalsContact NE2-C 3.31Å; H73-D119 PolarHBondContact NE2-N 2.92Å; H73-D119 PolarHBondContact NE2-O 2.89Å; S116-D119 WeakPolarHBondContact CB-O 3.17Å; S116-D119 WeakPolarHBondContact CB-OD1 3.17Å; S116-D119 PolarHBondContact OG-N 2.92Å; S116-D119 PolarHBondContact OG-OD1 3.25Å; D119-T121 PolarHBondContact O-N 2.86Å; D119-T121 WeakPolarHBondContact OD1-CB 3.36Å; D119-T121 PolarHBondContact OD1-N 2.95Å; D119-T121 PolarHBondContact OD1-OG1 2.99Å |
| 120 | D | 97.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 32% | 0.316 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -72.7 | 24 | -177.6 | -72.7 | -26.6 | 0 | 0 | 0 | 114.1 | H73 D135 L136 | H73-D120 IonicContact CD2-OD1 2.83Å; H73-D120 PolarHBondContact CD2-OD1 3.07Å; D120-D135 WeakPolarHBondContact O-CA 3.4Å; D120-L136 HydrophobicContact CB-CB 4.19Å; D120-L136 HydrophobicContact CB-CD1 4.02Å; D120-L136 HydrophobicContact CB-CG 4.3Å; D120-L136 WeakPolarHBondContact O-CG 3.41Å; D120-L136 PolarHBondContact O-N 3.29Å |
| 121 | T | 97.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 157.8 | 171 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | S116 D119 W134 D135 | S116-T121 WeakPolarHBondContact CB-O 3.48Å; S116-T121 WeakPolarHBondContact CB-OG1 3.18Å; S116-T121 PolarHBondContact N-O 2.83Å; D119-T121 PolarHBondContact O-N 2.86Å; D119-T121 WeakPolarHBondContact OD1-CB 3.36Å; D119-T121 PolarHBondContact OD1-N 2.95Å; D119-T121 PolarHBondContact OD1-OG1 2.99Å; T121-W134 CarbonylContact C-O 3.5Å; T121-W134 WeakPolarHBondContact CA-O 3.3Å; T121-W134 WeakPolarHBondContact CB-O 3.31Å; T121-D135 HydrophobicContact CG2-CB 4.32Å |
| 122 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 156.7 | 175.3 | 69.6 | -88.1 | 0 | 0 | 0 | 112 | I79 I89 F103 L113 C114 M115 W134 L136 | I79-F122 HydrophobicContact CD1-CB 4.16Å; I79-F122 HydrophobicContact CD1-CD1 4.15Å; I79-F122 HydrophobicContact CD1-CD2 3.78Å; I79-F122 HydrophobicContact CD1-CE2 4.19Å; I79-F122 HydrophobicContact CD1-CG 3.77Å; I89-F122 HydrophobicContact CD1-CE2 4.04Å; I89-F122 HydrophobicContact CG2-CE2 4.04Å; I89-F122 HydrophobicContact CG2-CZ 4.21Å; F103-F122 HydrophobicContact CD1-CE1 4.46Å; F103-F122 HydrophobicContact CD1-CZ 4.16Å; F103-F122 HydrophobicContact CD2-CE1 4.13Å; F103-F122 AromaticContact CD2-CZ 3.53Å; F103-F122 HydrophobicContact CD2-CZ 3.53Å; F103-F122 HydrophobicContact CE1-CE1 4.01Å; F103-F122 HydrophobicContact CE1-CZ 4.15Å; F103-F122 AromaticContact CE2-CE1 3.64Å; F103-F122 HydrophobicContact CE2-CE1 3.64Å; F103-F122 AromaticContact CE2-CZ 3.52Å; F103-F122 HydrophobicContact CE2-CZ 3.52Å; F103-F122 AromaticContact CG-CZ 3.86Å; F103-F122 HydrophobicContact CG-CZ 3.86Å; F103-F122 AromaticContact CZ-CE1 3.6Å; F103-F122 HydrophobicContact CZ-CE1 3.6Å; F103-F122 AromaticContact CZ-CZ 3.87Å; F103-F122 HydrophobicContact CZ-CZ 3.87Å; L113-F122 HydrophobicContact CD1-CD2 3.78Å; L113-F122 HydrophobicContact CD1-CE2 3.91Å; C114-F122 CarbonylContact O-C 3.6Å; C114-F122 WeakPolarHBondContact O-CA 3.42Å; C114-F122 VanDerWaalsContact O-CB 3.32Å; C114-F122 WeakPolarHBondContact O-CB 3.4Å; M115-F122 HydrophobicContact CE-CB 4.49Å; M115-F122 HydrophobicContact SD-CB 3.64Å; M115-F122 HydrophobicContact SD-CD1 4.31Å; M115-F122 HydrophobicContact SD-CG 4.22Å; F122-W134 HydrophobicContact CD1-CB 3.72Å; F122-W134 HydrophobicContact CD2-CB 4.09Å; F122-W134 AromaticContact CD2-CD1 3.69Å; F122-W134 HydrophobicContact CD2-CG 4.18Å; F122-W134 HydrophobicContact CE1-CB 3.25Å; F122-W134 AromaticContact CE1-CG 3.99Å; F122-W134 HydrophobicContact CE1-CG 3.99Å; F122-W134 HydrophobicContact CE2-CB 3.67Å; F122-W134 AromaticContact CE2-CD1 3.19Å; F122-W134 HydrophobicContact CE2-CD2 4.43Å; F122-W134 AromaticContact CE2-CG 3.51Å; F122-W134 HydrophobicContact CE2-CG 3.51Å; F122-W134 AromaticContact CE2-NE1 3.91Å; F122-W134 HydrophobicContact CG-CB 4.11Å; F122-W134 HydrophobicContact CZ-CB 3.21Å; F122-W134 AromaticContact CZ-CD1 3.62Å; F122-W134 HydrophobicContact CZ-CD2 4.21Å; F122-W134 AromaticContact CZ-CG 3.4Å; F122-W134 HydrophobicContact CZ-CG 3.4Å; F122-W134 PolarHBondContact N-O 3.35Å; F122-W134 PolarHBondContact O-N 3.16Å; F122-L136 HydrophobicContact CD1-CD2 3.92Å; F122-L136 HydrophobicContact CD1-CG 4.37Å; F122-L136 HydrophobicContact CE1-CD2 3.78Å |
| 123 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.8 | 175 | -69.1 | 167.6 | 0 | 0 | 0 | 110.6 | L113 C114 I131 R132 L133 A153 F155 F162 | L113-L123 WeakPolarHBondContact CA-O 3.32Å; C114-L123 PolarHBondContact N-O 3.25Å; C114-L123 PolarHBondContact O-N 3.17Å; L123-I131 HydrophobicContact CD2-CG2 4.13Å; L123-R132 CarbonylContact C-O 3.46Å; L123-R132 VanDerWaalsContact CA-O 3.31Å; L123-R132 WeakPolarHBondContact CA-O 3.25Å; L123-L133 HydrophobicContact CD2-CB 4.12Å; L123-L133 HydrophobicContact CD2-CD1 3.96Å; L123-L133 HydrophobicContact CG-CD1 4.47Å; L123-A153 HydrophobicContact CB-CB 4.33Å; L123-A153 HydrophobicContact CD1-CB 4.29Å; L123-F155 HydrophobicContact CB-CE2 4.17Å; L123-F155 HydrophobicContact CD1-CD1 4.3Å; L123-F155 HydrophobicContact CD1-CD2 3.99Å; L123-F155 HydrophobicContact CD1-CE1 3.95Å; L123-F155 HydrophobicContact CD1-CE2 3.62Å; L123-F155 HydrophobicContact CD1-CG 4.33Å; L123-F155 HydrophobicContact CD1-CZ 3.61Å; L123-F155 HydrophobicContact CD2-CZ 4.39Å; L123-F155 HydrophobicContact CG-CD2 4.36Å; L123-F155 HydrophobicContact CG-CE1 4.3Å; L123-F155 HydrophobicContact CG-CE2 3.55Å; L123-F155 HydrophobicContact CG-CZ 3.52Å; L123-F162 HydrophobicContact CD1-CB 3.47Å; L123-F162 VanDerWaalsContact CD1-CB 3.47Å; L123-F162 HydrophobicContact CD1-CD1 4.27Å; L123-F162 HydrophobicContact CD1-CD2 3.99Å; L123-F162 HydrophobicContact CD1-CG 3.65Å |
| 124 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.4 | 167.1 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | I89 H106 S112 I131 R132 W134 | I89-S124 WeakPolarHBondContact CD1-OG 3.42Å; H106-S124 PolarHBondContact CD2-OG 2.84Å; H106-S124 PolarHBondContact NE2-OG 3.06Å; S112-S124 CarbonylContact O-C 3.57Å; S112-S124 VanDerWaalsContact O-CA 3.25Å; S112-S124 WeakPolarHBondContact O-CA 3.48Å; S124-I131 CarbonylContact O-C 3.49Å; S124-I131 WeakPolarHBondContact O-CA 3.47Å; S124-R132 PolarHBondContact N-O 2.6Å; S124-R132 PolarHBondContact O-N 3.01Å; S124-W134 PolarHBondContact OG-NE1 3.17Å |
| 125 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V111 S112 T130 | V111-G125 WeakPolarHBondContact CG2-O 3.44Å; V111-G125 PolarHBondContact N-O 3Å; S112-G125 PolarHBondContact N-O 3.14Å; S112-G125 VanDerWaalsContact N-O 3.14Å; S112-G125 PolarHBondContact O-N 2.71Å; G125-T130 WeakPolarHBondContact CA-O 3.24Å |
| 126 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.9 | -179.5 | 167.2 | 0 | 0 | 0 | 0 | 113.1 | H106 K108 R109 D128 S129 T130 P151 | H106-S126 WeakPolarHBondContact CE1-CB 3.24Å; H106-S126 WeakPolarHBondContact ND1-CB 3.4Å; K108-S126 PolarHBondContact O-OG 3.05Å; R109-S126 WeakPolarHBondContact O-CA 3.19Å; R109-S126 PolarHBondContact O-OG 2.46Å; R109-S126 VanDerWaalsContact O-OG 3.13Å; S126-D128 VanDerWaalsContact CB-OD1 3.22Å; S126-D128 WeakPolarHBondContact CB-OD1 3.37Å; S126-D128 PolarHBondContact O-N 2.9Å; S126-D128 VanDerWaalsContact O-N 3.13Å; S126-D128 PolarHBondContact OG-N 3.26Å; S126-D128 PolarHBondContact OG-OD1 2.92Å; S126-S129 PolarHBondContact O-N 2.96Å; S126-S129 VanDerWaalsContact O-N 3.13Å; S126-T130 PolarHBondContact N-O 2.83Å; S126-P151 VanDerWaalsContact N-CG 3.3Å; S126-P151 WeakPolarHBondContact O-CD 3.09Å; S126-P151 VanDerWaalsContact O-CG 3.23Å; S126-P151 WeakPolarHBondContact O-CG 3.19Å |
| 127 | M | 97.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 33.2 Ų | 33.2 | 39% | 0.394 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -6.5 | 169.1 | -63.2 | -58.9 | -60.4 | 0 | 0 | 113.5 | K108 R109 V111 S129 R150 | K108-M127 HydrophobicContact CB-CB 4.01Å; K108-M127 HydrophobicContact CD-CB 4.37Å; K108-M127 WeakPolarHBondContact CD-O 3.35Å; R109-M127 PolarHBondContact O-N 3.35Å; V111-M127 HydrophobicContact CG1-CG 3.71Å; V111-M127 HydrophobicContact CG1-SD 4.06Å; V111-M127 HydrophobicContact CG2-CG 4.5Å; V111-M127 HydrophobicContact CG2-SD 4.32Å; M127-S129 PolarHBondContact O-N 2.97Å; M127-R150 HydrophobicContact SD-CB 3.97Å; M127-R150 HydrophobicContact SD-CG 3.77Å |
| 128 | D | 97.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 9.1 | 168.2 | 71.9 | 8.4 | 0 | 0 | 0 | 113.2 | H106 T107 K108 S126 T130 | H106-D128 WeakPolarHBondContact CA-OD2 3.16Å; H106-D128 IonicContact CE1-OD1 3.14Å; H106-D128 IonicContact CE1-OD2 3.32Å; H106-D128 IonicContact CG-OD2 3.66Å; H106-D128 IonicContact ND1-OD1 2.68Å; H106-D128 PolarHBondContact ND1-OD1 2.94Å; H106-D128 IonicContact ND1-OD2 3.99Å; H106-D128 PolarHBondContact ND1-OD2 3.18Å; T107-D128 PolarHBondContact N-OD2 3.09Å; T107-D128 WeakPolarHBondContact OG1-CB 3.46Å; K108-D128 HydrophobicContact CB-CB 4Å; K108-D128 HydrophobicContact CD-CB 4.45Å; K108-D128 HydrophobicContact CG-CB 4.11Å; S126-D128 VanDerWaalsContact CB-OD1 3.22Å; S126-D128 WeakPolarHBondContact CB-OD1 3.37Å; S126-D128 PolarHBondContact O-N 2.9Å; S126-D128 VanDerWaalsContact O-N 3.13Å; S126-D128 PolarHBondContact OG-N 3.26Å; S126-D128 PolarHBondContact OG-OD1 2.92Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 PolarHBondContact O-N 3.02Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 PolarHBondContact OD1-N 2.87Å; D128-T130 PolarHBondContact OD1-OG1 2.87Å |
| 129 | S | 96.5 | Very high | 97.6 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 34% | 0.336 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 30.3 | 177 | -62 | 0 | 0 | 0 | 0 | 112.9 | S126 M127 V147 | S126-S129 PolarHBondContact O-N 2.96Å; S126-S129 VanDerWaalsContact O-N 3.13Å; M127-S129 PolarHBondContact O-N 2.97Å; S129-V147 VanDerWaalsContact CB-O 3.28Å; S129-V147 WeakPolarHBondContact CB-O 3.36Å; S129-V147 WeakPolarHBondContact O-CG2 3.2Å; S129-V147 PolarHBondContact O-N 3.32Å |
| 130 | T | 97 | Very high | 97.7 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.9 | 173.5 | 70.5 | 0 | 0 | 0 | 0 | 113 | H106 G125 S126 D128 R132 V144 M145 | H106-T130 PolarHBondContact CE1-OG1 3.46Å; H106-T130 PolarHBondContact ND1-OG1 2.97Å; G125-T130 WeakPolarHBondContact CA-O 3.24Å; S126-T130 PolarHBondContact N-O 2.83Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 PolarHBondContact O-N 3.02Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 PolarHBondContact OD1-N 2.87Å; D128-T130 PolarHBondContact OD1-OG1 2.87Å; T130-R132 PolarHBondContact OG1-NE 3.17Å; T130-V144 HydrophobicContact CG2-CG1 4.01Å; T130-M145 CarbonylContact C-O 3.59Å; T130-M145 VanDerWaalsContact CA-O 3.26Å; T130-M145 WeakPolarHBondContact CA-O 3.46Å |
| 131 | I | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131 | 156.7 | -63.5 | 169.2 | 0 | 0 | 0 | 107 | L123 S124 M145 V147 P151 A153 A164 | L123-I131 HydrophobicContact CD2-CG2 4.13Å; S124-I131 CarbonylContact O-C 3.49Å; S124-I131 WeakPolarHBondContact O-CA 3.47Å; I131-M145 HydrophobicContact CB-CE 3.47Å; I131-M145 VanDerWaalsContact CB-CE 3.47Å; I131-M145 HydrophobicContact CD1-CE 4.27Å; I131-M145 HydrophobicContact CG1-CE 4.47Å; I131-M145 HydrophobicContact CG2-CE 3.32Å; I131-M145 PolarHBondContact N-O 3.4Å; I131-M145 PolarHBondContact O-N 3.44Å; I131-V147 HydrophobicContact CD1-CG1 4.01Å; I131-V147 HydrophobicContact CG1-CG1 4.3Å; I131-V147 HydrophobicContact CG1-CG2 4.42Å; I131-P151 HydrophobicContact CD1-CB 3.83Å; I131-P151 HydrophobicContact CG1-CB 3.5Å; I131-P151 HydrophobicContact CG1-CG 4.29Å; I131-A153 HydrophobicContact CD1-CB 4.23Å; I131-A153 HydrophobicContact CG2-CB 4.19Å; I131-A164 HydrophobicContact CD1-CB 3.5Å |
| 132 | R | 98.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.1 | -176.1 | -69.2 | -177.8 | 179.7 | -97.2 | 3.2 | 110.9 | S105 H106 L123 S124 T130 W134 G143 V144 | S105-R132 VanDerWaalsContact CB-CZ 3.49Å; S105-R132 VanDerWaalsContact CB-NH1 3.32Å; S105-R132 PolarHBondContact O-NH2 3.45Å; H106-R132 VanDerWaalsContact CE1-CD 3.43Å; H106-R132 WeakPolarHBondContact CE1-CD 3.36Å; L123-R132 CarbonylContact C-O 3.46Å; L123-R132 VanDerWaalsContact CA-O 3.31Å; L123-R132 WeakPolarHBondContact CA-O 3.25Å; S124-R132 PolarHBondContact N-O 2.6Å; S124-R132 PolarHBondContact O-N 3.01Å; T130-R132 PolarHBondContact OG1-NE 3.17Å; R132-W134 HydrophobicContact CB-CZ2 3.89Å; R132-W134 VanDerWaalsContact CB-NE1 3.34Å; R132-W134 VanDerWaalsContact CD-CZ2 3.43Å; R132-W134 HydrophobicContact CG-CZ2 4.31Å; R132-G143 CarbonylContact C-O 3.53Å; R132-G143 VanDerWaalsContact CA-O 3.28Å; R132-G143 WeakPolarHBondContact CA-O 3.49Å; R132-V144 HydrophobicContact CG-CG1 4.33Å; R132-V144 HydrophobicContact CG-CG2 4.36Å; R132-V144 VanDerWaalsContact NH1-CG2 3.31Å |
| 133 | L | 98.2 | Very high | 97.4 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.1 | 170.2 | 179.8 | 66.1 | 0 | 0 | 0 | 109.2 | L123 H142 G143 F155 L176 F179 | L123-L133 HydrophobicContact CD2-CB 4.12Å; L123-L133 HydrophobicContact CD2-CD1 3.96Å; L123-L133 HydrophobicContact CG-CD1 4.47Å; L133-H142 HydrophobicContact CG-CB 4.48Å; L133-H142 PolarHBondContact O-N 2.99Å; L133-G143 PolarHBondContact N-O 3.44Å; L133-G143 PolarHBondContact O-N 3.26Å; L133-F155 HydrophobicContact CD1-CZ 4.23Å; L133-L176 HydrophobicContact CD1-CD1 4Å; L133-L176 HydrophobicContact CD2-CD1 3.83Å; L133-F179 HydrophobicContact CD2-CE1 3.93Å; L133-F179 HydrophobicContact CD2-CZ 4.39Å |
| 134 | W | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 164.1 | -176.9 | -53.6 | 95.1 | 0 | 0 | 0 | 110.4 | F103 S105 T121 F122 S124 R132 C141 | F103-W134 HydrophobicContact CB-CD2 4.11Å; F103-W134 HydrophobicContact CB-CE3 3.77Å; F103-W134 HydrophobicContact CB-CH2 3.86Å; F103-W134 HydrophobicContact CB-CZ2 4.23Å; F103-W134 HydrophobicContact CB-CZ3 3.65Å; F103-W134 HydrophobicContact CD1-CD2 4.25Å; F103-W134 AromaticContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CZ3 4.2Å; F103-W134 HydrophobicContact CG-CD2 4.37Å; F103-W134 HydrophobicContact CG-CE3 4.07Å; F103-W134 HydrophobicContact CG-CZ3 4.38Å; S105-W134 WeakPolarHBondContact OG-CH2 3.43Å; T121-W134 CarbonylContact C-O 3.5Å; T121-W134 WeakPolarHBondContact CA-O 3.3Å; T121-W134 WeakPolarHBondContact CB-O 3.31Å; F122-W134 HydrophobicContact CD1-CB 3.72Å; F122-W134 HydrophobicContact CD2-CB 4.09Å; F122-W134 AromaticContact CD2-CD1 3.69Å; F122-W134 HydrophobicContact CD2-CG 4.18Å; F122-W134 HydrophobicContact CE1-CB 3.25Å; F122-W134 AromaticContact CE1-CG 3.99Å; F122-W134 HydrophobicContact CE1-CG 3.99Å; F122-W134 HydrophobicContact CE2-CB 3.67Å; F122-W134 AromaticContact CE2-CD1 3.19Å; F122-W134 HydrophobicContact CE2-CD2 4.43Å; F122-W134 AromaticContact CE2-CG 3.51Å; F122-W134 HydrophobicContact CE2-CG 3.51Å; F122-W134 AromaticContact CE2-NE1 3.91Å; F122-W134 HydrophobicContact CG-CB 4.11Å; F122-W134 HydrophobicContact CZ-CB 3.21Å; F122-W134 AromaticContact CZ-CD1 3.62Å; F122-W134 HydrophobicContact CZ-CD2 4.21Å; F122-W134 AromaticContact CZ-CG 3.4Å; F122-W134 HydrophobicContact CZ-CG 3.4Å; F122-W134 PolarHBondContact N-O 3.35Å; F122-W134 PolarHBondContact O-N 3.16Å; S124-W134 PolarHBondContact OG-NE1 3.17Å; R132-W134 HydrophobicContact CB-CZ2 3.89Å; R132-W134 VanDerWaalsContact CB-NE1 3.34Å; R132-W134 VanDerWaalsContact CD-CZ2 3.43Å; R132-W134 HydrophobicContact CG-CZ2 4.31Å; W134-C141 HydrophobicContact CE3-CB 3.9Å; W134-C141 HydrophobicContact CH2-CB 3.88Å; W134-C141 HydrophobicContact CZ2-CB 4.48Å; W134-C141 HydrophobicContact CZ3-CB 3.52Å |
| 135 | D | 97.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.3 | 172.3 | -178.6 | -35.7 | 0 | 0 | 0 | 108 | D120 T121 R137 S138 H142 | D120-D135 WeakPolarHBondContact O-CA 3.4Å; T121-D135 HydrophobicContact CG2-CB 4.32Å; D135-R137 PolarHBondContact O-N 3.14Å; D135-R137 WeakPolarHBondContact OD1-CB 3.46Å; D135-R137 VanDerWaalsContact OD1-CG 3.27Å; D135-R137 WeakPolarHBondContact OD1-CG 3.5Å; D135-R137 IonicContact OD1-CZ 3.48Å; D135-R137 PolarHBondContact OD1-N 2.85Å; D135-R137 IonicContact OD1-NE 2.95Å; D135-R137 PolarHBondContact OD1-NE 2.69Å; D135-R137 IonicContact OD1-NH2 2.59Å; D135-R137 IonicContact OD2-CZ 3.5Å; D135-R137 VanDerWaalsContact OD2-CZ 3.32Å; D135-R137 IonicContact OD2-NE 3.75Å; D135-R137 PolarHBondContact OD2-NE 3.05Å; D135-R137 VanDerWaalsContact OD2-NE 3.14Å; D135-R137 IonicContact OD2-NH2 2.89Å; D135-R137 PolarHBondContact OD2-NH2 2.75Å; D135-S138 PolarHBondContact O-N 3.41Å; D135-H142 WeakPolarHBondContact CB-CE1 3.19Å; D135-H142 WeakPolarHBondContact CB-ND1 3.23Å; D135-H142 IonicContact OD2-CE1 2.88Å |
| 136 | L | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.7 | -177.4 | -62.2 | 173.8 | 0 | 0 | 0 | 113.2 | T72 I79 Y91 R101 F103 M115 D120 F122 S138 | T72-L136 HydrophobicContact CG2-CD1 3.59Å; T72-L136 HydrophobicContact CG2-CD2 4.36Å; I79-L136 HydrophobicContact CG2-CD2 3.61Å; Y91-L136 HydrophobicContact CD1-CB 4.5Å; Y91-L136 HydrophobicContact CD1-CD2 4.26Å; Y91-L136 HydrophobicContact CD2-CD2 4.04Å; Y91-L136 HydrophobicContact CE1-CB 4.18Å; Y91-L136 HydrophobicContact CE1-CD2 4.47Å; Y91-L136 HydrophobicContact CE2-CD1 4.37Å; Y91-L136 HydrophobicContact CE2-CD2 4.26Å; Y91-L136 HydrophobicContact CG-CD2 4.07Å; R101-L136 WeakPolarHBondContact CD-O 3.36Å; R101-L136 PolarHBondContact NE-O 3.2Å; F103-L136 HydrophobicContact CE2-CD2 4.29Å; F103-L136 HydrophobicContact CZ-CD2 3.98Å; M115-L136 HydrophobicContact CE-CD1 3.92Å; M115-L136 HydrophobicContact SD-CD1 4.46Å; D120-L136 HydrophobicContact CB-CB 4.19Å; D120-L136 HydrophobicContact CB-CD1 4.02Å; D120-L136 HydrophobicContact CB-CG 4.3Å; D120-L136 WeakPolarHBondContact O-CG 3.41Å; D120-L136 PolarHBondContact O-N 3.29Å; F122-L136 HydrophobicContact CD1-CD2 3.92Å; F122-L136 HydrophobicContact CD1-CG 4.37Å; F122-L136 HydrophobicContact CE1-CD2 3.78Å; L136-S138 VanDerWaalsContact C-N 3.35Å |
| 137 | R | 97.1 | Very high | 96.7 | Very high | 164 Ų | 164 | 46.3 Ų | 46.3 | 62% | 0.619 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.5 | -179.7 | -55.5 | 170.3 | -66.5 | -171 | 0.6 | 112.9 | R101 D135 | R101-R137 PolarHBondContact NH2-O 3.41Å; R101-R137 VanDerWaalsContact NH2-O 3.07Å; D135-R137 PolarHBondContact O-N 3.14Å; D135-R137 WeakPolarHBondContact OD1-CB 3.46Å; D135-R137 VanDerWaalsContact OD1-CG 3.27Å; D135-R137 WeakPolarHBondContact OD1-CG 3.5Å; D135-R137 IonicContact OD1-CZ 3.48Å; D135-R137 PolarHBondContact OD1-N 2.85Å; D135-R137 IonicContact OD1-NE 2.95Å; D135-R137 PolarHBondContact OD1-NE 2.69Å; D135-R137 IonicContact OD1-NH2 2.59Å; D135-R137 IonicContact OD2-CZ 3.5Å; D135-R137 VanDerWaalsContact OD2-CZ 3.32Å; D135-R137 IonicContact OD2-NE 3.75Å; D135-R137 PolarHBondContact OD2-NE 3.05Å; D135-R137 VanDerWaalsContact OD2-NE 3.14Å; D135-R137 IonicContact OD2-NH2 2.89Å; D135-R137 PolarHBondContact OD2-NH2 2.75Å |
| 138 | S | 97.3 | Very high | 96.3 | Very high | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | trans | -129 | 135.8 | -174.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | R101 F103 D135 L136 N140 | R101-S138 WeakPolarHBondContact CD-O 3.09Å; F103-S138 VanDerWaalsContact CE1-O 3.28Å; F103-S138 WeakPolarHBondContact CE1-O 3.34Å; D135-S138 PolarHBondContact O-N 3.41Å; L136-S138 VanDerWaalsContact C-N 3.35Å; S138-N140 PolarHBondContact O-N 3.49Å; S138-N140 PolarHBondContact OG-N 2.9Å | ||
| 139 | P | 96.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.6 | -17.4 | 175.4 | 32.7 | -31.9 | 0 | 0 | 0 | 112.4 | R101 | R101-P139 HydrophobicContact CG-CB 4.21Š|
| 140 | N | 97.2 | Very high | 95.7 | Very high | 110 Ų | 110 | 46 Ų | 46 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -83.4 | 141.9 | -175.2 | -62.4 | -34.2 | 0 | 0 | 0 | 110.4 | S138 H142 | S138-N140 PolarHBondContact O-N 3.49Å; S138-N140 PolarHBondContact OG-N 2.9Å; N140-H142 PolarHBondContact O-N 2.61Å |
| 141 | C | 96.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | trans | -64.7 | 128 | 171.2 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | W134 G143 V144 | W134-C141 HydrophobicContact CE3-CB 3.9Å; W134-C141 HydrophobicContact CH2-CB 3.88Å; W134-C141 HydrophobicContact CZ2-CB 4.48Å; W134-C141 HydrophobicContact CZ3-CB 3.52Å; C141-G143 PolarHBondContact SG-O 2.59Å; C141-V144 VanDerWaalsContact SG-CG2 3.59Å | ||
| 142 | H | 94.5 | Very high | 95.6 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -88.5 | -23.8 | -179.1 | -73.4 | 162.3 | 0 | 0 | 0 | 113.3 | L133 D135 N140 | L133-H142 HydrophobicContact CG-CB 4.48Å; L133-H142 PolarHBondContact O-N 2.99Å; D135-H142 WeakPolarHBondContact CB-CE1 3.19Å; D135-H142 WeakPolarHBondContact CB-ND1 3.23Å; D135-H142 IonicContact OD2-CE1 2.88Å; N140-H142 PolarHBondContact O-N 2.61Å |
| 143 | G | 95.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 141 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R132 L133 C141 | R132-G143 CarbonylContact C-O 3.53Å; R132-G143 VanDerWaalsContact CA-O 3.28Å; R132-G143 WeakPolarHBondContact CA-O 3.49Å; L133-G143 PolarHBondContact N-O 3.44Å; L133-G143 PolarHBondContact O-N 3.26Å; C141-G143 PolarHBondContact SG-O 2.59Å |
| 144 | V | 96.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.4 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | T130 R132 C141 | T130-V144 HydrophobicContact CG2-CG1 4.01Å; R132-V144 HydrophobicContact CG-CG1 4.33Å; R132-V144 HydrophobicContact CG-CG2 4.36Å; R132-V144 VanDerWaalsContact NH1-CG2 3.31Å; C141-V144 VanDerWaalsContact SG-CG2 3.59Å |
| 145 | M | 95.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 44 Ų | 44 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.9 | 169.6 | -61 | 176 | -60.1 | 0 | 0 | 109.3 | T130 I131 F162 Y174 F179 | T130-M145 CarbonylContact C-O 3.59Å; T130-M145 VanDerWaalsContact CA-O 3.26Å; T130-M145 WeakPolarHBondContact CA-O 3.46Å; I131-M145 HydrophobicContact CB-CE 3.47Å; I131-M145 VanDerWaalsContact CB-CE 3.47Å; I131-M145 HydrophobicContact CD1-CE 4.27Å; I131-M145 HydrophobicContact CG1-CE 4.47Å; I131-M145 HydrophobicContact CG2-CE 3.32Å; I131-M145 PolarHBondContact N-O 3.4Å; I131-M145 PolarHBondContact O-N 3.44Å; M145-F162 HydrophobicContact CE-CD2 4.29Å; M145-F162 HydrophobicContact CE-CE2 3.25Å; M145-F162 HydrophobicContact CE-CZ 3.52Å; M145-F162 HydrophobicContact SD-CE2 3.5Å; M145-F162 VanDerWaalsContact SD-CE2 3.5Å; M145-F162 HydrophobicContact SD-CZ 3.34Å; M145-F162 WeakPolarHBondContact SD-CZ 3.14Å; M145-Y174 HydrophobicContact SD-CD1 4Å; M145-Y174 HydrophobicContact SD-CD2 4.39Å; M145-Y174 HydrophobicContact SD-CE1 3.87Å; M145-Y174 HydrophobicContact SD-CE2 4.3Å; M145-Y174 HydrophobicContact SD-CG 4.26Å; M145-F179 HydrophobicContact CG-CD2 3.9Å; M145-F179 HydrophobicContact CG-CE2 4.42Å; M145-F179 HydrophobicContact SD-CB 4.49Å; M145-F179 HydrophobicContact SD-CD2 4.14Å |
| 146 | H | 94.6 | Very high | 95.7 | Very high | 159 Ų | 159 | 44.4 Ų | 44.4 | 74% | 0.736 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 127.5 | 172 | -63.6 | -78.4 | 0 | 0 | 0 | 109.5 | ||
| 147 | V | 92.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -128.3 | 156.9 | -178.8 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | S129 I131 P151 I166 | S129-V147 VanDerWaalsContact CB-O 3.28Å; S129-V147 WeakPolarHBondContact CB-O 3.36Å; S129-V147 WeakPolarHBondContact O-CG2 3.2Å; S129-V147 PolarHBondContact O-N 3.32Å; I131-V147 HydrophobicContact CD1-CG1 4.01Å; I131-V147 HydrophobicContact CG1-CG1 4.3Å; I131-V147 HydrophobicContact CG1-CG2 4.42Å; V147-P151 HydrophobicContact CG2-CB 4.04Å; V147-P151 HydrophobicContact CG2-CG 4.37Å; V147-I166 HydrophobicContact CB-CD1 4.26Å; V147-I166 HydrophobicContact CB-CG1 4.3Å; V147-I166 HydrophobicContact CB-CG2 4.36Å; V147-I166 HydrophobicContact CG1-CD1 3.85Å; V147-I166 HydrophobicContact CG1-CG1 4.14Å | ||
| 148 | S | 88.3 | Confident | 95.7 | Very high | 75 Ų | 75 | 44 Ų | 44 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -88.6 | 134.4 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | I166 N167 | S148-I166 VanDerWaalsContact O-CG2 3.29Å; S148-I166 WeakPolarHBondContact O-CG2 3.45Å; S148-I166 WeakPolarHBondContact OG-CG2 3.42Å; S148-N167 PolarHBondContact O-N 3.48Å |
| 149 | G | 87.6 | Confident | 95.7 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 75.3 | -154.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P151 | G149-P151 WeakPolarHBondContact O-CD 3.34Š|
| 150 | R | 94.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 45 Ų | 45 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -78.1 | 117.9 | 179 | -177.5 | -173.5 | -169.7 | -74.3 | -0.8 | 110.1 | V111 M127 W198 T199 | V111-R150 HydrophobicContact CG2-CG 4.04Å; V111-R150 PolarHBondContact O-NH2 2.99Å; M127-R150 HydrophobicContact SD-CB 3.97Å; M127-R150 HydrophobicContact SD-CG 3.77Å; R150-W198 PolarHBondContact NH1-O 3.37Å; R150-T199 PolarHBondContact NH1-O 3.17Å |
| 151 | P | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -79.2 | 152.7 | 174.7 | 26 | -29.5 | 0 | 0 | 0 | 113.5 | V111 S126 I131 V147 G149 | V111-P151 HydrophobicContact CG2-CG 4.28Å; S126-P151 VanDerWaalsContact N-CG 3.3Å; S126-P151 WeakPolarHBondContact O-CD 3.09Å; S126-P151 VanDerWaalsContact O-CG 3.23Å; S126-P151 WeakPolarHBondContact O-CG 3.19Å; I131-P151 HydrophobicContact CD1-CB 3.83Å; I131-P151 HydrophobicContact CG1-CB 3.5Å; I131-P151 HydrophobicContact CG1-CG 4.29Å; V147-P151 HydrophobicContact CG2-CB 4.04Å; V147-P151 HydrophobicContact CG2-CG 4.37Å; G149-P151 WeakPolarHBondContact O-CD 3.34Å | ||
| 152 | T | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.5 | 152.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | A164 G165 W198 G200 L201 | T152-A164 CarbonylContact O-C 3.59Å; T152-A164 WeakPolarHBondContact O-CA 3.38Å; T152-G165 PolarHBondContact N-O 3.28Å; T152-G165 VanDerWaalsContact N-O 3.09Å; T152-G165 PolarHBondContact O-N 2.78Å; T152-W198 HydrophobicContact CG2-CB 4.33Å; T152-W198 HydrophobicContact CG2-CE3 4.39Å; T152-G200 WeakPolarHBondContact OG1-CA 3.47Å; T152-L201 HydrophobicContact CG2-CB 3.65Å; T152-L201 HydrophobicContact CG2-CD2 4.35Å; T152-L201 WeakPolarHBondContact OG1-CB 3.24Å; T152-L201 PolarHBondContact OG1-N 2.88Å; T152-L201 VanDerWaalsContact OG1-N 3.11Å |
| 153 | A | 98.2 | Very high | 96 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S112 L123 I131 A163 | S112-A153 PolarHBondContact OG-N 3.48Å; L123-A153 HydrophobicContact CB-CB 4.33Å; L123-A153 HydrophobicContact CD1-CB 4.29Å; I131-A153 HydrophobicContact CD1-CB 4.23Å; I131-A153 HydrophobicContact CG2-CB 4.19Å; A153-A163 VanDerWaalsContact CA-O 3.23Å; A153-A163 WeakPolarHBondContact CA-O 3.35Å |
| 154 | A | 98.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F162 A163 L201 F203 | A154-F162 CarbonylContact O-C 3.28Å; A154-F162 VanDerWaalsContact O-CA 3.22Å; A154-F162 WeakPolarHBondContact O-CA 3.17Å; A154-F162 WeakPolarHBondContact O-CB 3.22Å; A154-A163 PolarHBondContact N-O 3.06Å; A154-A163 PolarHBondContact O-N 3.15Å; A154-L201 HydrophobicContact CB-CB 4.38Å; A154-L201 HydrophobicContact CB-CD2 4.48Å; A154-L201 HydrophobicContact CB-CG 4.14Å; A154-L201 WeakPolarHBondContact CB-O 3.27Å; A154-F203 HydrophobicContact CB-CD2 4.08Å; A154-F203 HydrophobicContact CB-CE2 4.49Å |
| 155 | F | 98.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.057 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 148.3 | 166.5 | -75.4 | -77 | 0 | 0 | 0 | 111.4 | P117 L123 L133 F162 L176 F203 | P117-F155 HydrophobicContact CG-CB 4.46Å; L123-F155 HydrophobicContact CB-CE2 4.17Å; L123-F155 HydrophobicContact CD1-CD1 4.3Å; L123-F155 HydrophobicContact CD1-CD2 3.99Å; L123-F155 HydrophobicContact CD1-CE1 3.95Å; L123-F155 HydrophobicContact CD1-CE2 3.62Å; L123-F155 HydrophobicContact CD1-CG 4.33Å; L123-F155 HydrophobicContact CD1-CZ 3.61Å; L123-F155 HydrophobicContact CD2-CZ 4.39Å; L123-F155 HydrophobicContact CG-CD2 4.36Å; L123-F155 HydrophobicContact CG-CE1 4.3Å; L123-F155 HydrophobicContact CG-CE2 3.55Å; L123-F155 HydrophobicContact CG-CZ 3.52Å; L133-F155 HydrophobicContact CD1-CZ 4.23Å; F155-F162 HydrophobicContact CD1-CB 4.01Å; F155-F162 HydrophobicContact CE1-CB 4.29Å; F155-L176 HydrophobicContact CE1-CD1 3.9Å; F155-L176 HydrophobicContact CE1-CD2 3.89Å; F155-L176 HydrophobicContact CE1-CG 4.46Å; F155-L176 HydrophobicContact CZ-CD1 4.46Å; F155-F203 VanDerWaalsContact C-CD2 3.47Å; F155-F203 WeakPolarHBondContact O-CD2 3.17Å |
| 156 | D | 98.3 | Very high | 96 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | trans | -69.7 | 163.3 | 162.6 | 85 | -53.1 | 0 | 0 | 0 | 110.6 | P117 E158 G159 L160 I161 F203 | P117-D156 VanDerWaalsContact CG-O 3.32Å; P117-D156 WeakPolarHBondContact CG-O 3.47Å; D156-E158 PolarHBondContact O-N 2.87Å; D156-G159 PolarHBondContact O-N 2.61Å; D156-G159 WeakPolarHBondContact OD1-CA 3.33Å; D156-G159 PolarHBondContact OD1-N 2.84Å; D156-L160 PolarHBondContact OD1-N 3.22Å; D156-I161 HydrophobicContact CB-CB 4.11Å; D156-I161 PolarHBondContact N-O 3.37Å; D156-I161 PolarHBondContact OD1-N 3.14Å; D156-F203 HydrophobicContact CB-CD1 4.25Å; D156-F203 HydrophobicContact CB-CD2 4.35Å; D156-F203 HydrophobicContact CB-CE1 4.13Å; D156-F203 HydrophobicContact CB-CE2 4.22Å; D156-F203 HydrophobicContact CB-CG 4.34Å; D156-F203 HydrophobicContact CB-CZ 4.1Å | ||
| 157 | P | 97.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 23% | 0.234 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.4 | -175.4 | -26.3 | 36.6 | 0 | 0 | 0 | 115 | P117 S204 S205 | P117-P157 VanDerWaalsContact CG-O 3.3Å; P117-P157 WeakPolarHBondContact CG-O 3.24Å; P157-S204 VanDerWaalsContact CG-O 3.24Å; P157-S204 WeakPolarHBondContact CG-O 3.43Å; P157-S205 WeakPolarHBondContact CG-O 3.2Å |
| 158 | E | 97.6 | Very high | 95.6 | Very high | 126 Ų | 126 | 28.2 Ų | 28.2 | 59% | 0.589 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.2 | 178.7 | -59.8 | -62 | 138.3 | 0 | 0 | 112.7 | I118 D156 L160 | I118-E158 WeakPolarHBondContact CG1-O 3.32Å; D156-E158 PolarHBondContact O-N 2.87Å; E158-L160 HydrophobicContact CB-CD1 4.22Å; E158-L160 HydrophobicContact CB-CG 4.09Å; E158-L160 PolarHBondContact O-N 2.68Å; E158-L160 VanDerWaalsContact O-N 3.14Å |
| 159 | G | 97 | Very high | 95.8 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 61.8 | 19 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D156 L176 | D156-G159 PolarHBondContact O-N 2.61Å; D156-G159 WeakPolarHBondContact OD1-CA 3.33Å; D156-G159 PolarHBondContact OD1-N 2.84Å; G159-L176 VanDerWaalsContact O-CD2 3.24Å; G159-L176 WeakPolarHBondContact O-CD2 3.47Å |
| 160 | L | 97.5 | Very high | 96.2 | Very high | 93 Ų | 93 | 26.9 Ų | 26.9 | 49% | 0.487 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -93.5 | -27.7 | -179.5 | -62 | -179.8 | 0 | 0 | 0 | 111.9 | D156 E158 L176 | D156-L160 PolarHBondContact OD1-N 3.22Å; E158-L160 HydrophobicContact CB-CD1 4.22Å; E158-L160 HydrophobicContact CB-CG 4.09Å; E158-L160 PolarHBondContact O-N 2.68Å; E158-L160 VanDerWaalsContact O-N 3.14Å; L160-L176 WeakPolarHBondContact O-CB 3.36Å; L160-L176 PolarHBondContact O-N 2.83Å |
| 161 | I | 97.7 | Very high | 96.4 | Very high | 48 Ų | 48 | 25 Ų | 25 | 25% | 0.246 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147 | -176.3 | -65.2 | 162.7 | 0 | 0 | 0 | 107.8 | D156 L173 Y174 F184 | D156-I161 HydrophobicContact CB-CB 4.11Å; D156-I161 PolarHBondContact N-O 3.37Å; D156-I161 PolarHBondContact OD1-N 3.14Å; I161-L173 HydrophobicContact CG2-CB 4.31Å; I161-Y174 VanDerWaalsContact CA-O 3.27Å; I161-Y174 WeakPolarHBondContact CA-O 3.43Å; I161-Y174 WeakPolarHBondContact CG2-O 3.43Å; I161-F184 HydrophobicContact CD1-CE1 4.44Å; I161-F184 HydrophobicContact CD1-CZ 3.95Å; I161-F184 HydrophobicContact CG1-CE1 4.11Å; I161-F184 HydrophobicContact CG1-CZ 4.1Å; I161-F184 HydrophobicContact CG2-CE1 4.02Å; I161-F184 HydrophobicContact CG2-CZ 3.95Å |
| 162 | F | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.6 | 160.4 | 66.9 | -92 | 0 | 0 | 0 | 111 | L123 M145 A154 F155 Y174 L176 F179 | L123-F162 HydrophobicContact CD1-CB 3.47Å; L123-F162 VanDerWaalsContact CD1-CB 3.47Å; L123-F162 HydrophobicContact CD1-CD1 4.27Å; L123-F162 HydrophobicContact CD1-CD2 3.99Å; L123-F162 HydrophobicContact CD1-CG 3.65Å; M145-F162 HydrophobicContact CE-CD2 4.29Å; M145-F162 HydrophobicContact CE-CE2 3.25Å; M145-F162 HydrophobicContact CE-CZ 3.52Å; M145-F162 HydrophobicContact SD-CE2 3.5Å; M145-F162 VanDerWaalsContact SD-CE2 3.5Å; M145-F162 HydrophobicContact SD-CZ 3.34Å; M145-F162 WeakPolarHBondContact SD-CZ 3.14Å; A154-F162 CarbonylContact O-C 3.28Å; A154-F162 VanDerWaalsContact O-CA 3.22Å; A154-F162 WeakPolarHBondContact O-CA 3.17Å; A154-F162 WeakPolarHBondContact O-CB 3.22Å; F155-F162 HydrophobicContact CD1-CB 4.01Å; F155-F162 HydrophobicContact CE1-CB 4.29Å; F162-Y174 HydrophobicContact CD2-CD2 4.12Å; F162-Y174 HydrophobicContact CD2-CG 4.44Å; F162-Y174 HydrophobicContact CE1-CG 4.34Å; F162-Y174 HydrophobicContact CE2-CD1 4.44Å; F162-Y174 AromaticContact CE2-CD2 3.4Å; F162-Y174 HydrophobicContact CE2-CD2 3.4Å; F162-Y174 VanDerWaalsContact CE2-CD2 3.4Å; F162-Y174 HydrophobicContact CE2-CE2 4.21Å; F162-Y174 AromaticContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CZ-CD1 4.15Å; F162-Y174 AromaticContact CZ-CD2 3.91Å; F162-Y174 HydrophobicContact CZ-CD2 3.91Å; F162-Y174 AromaticContact CZ-CG 3.52Å; F162-Y174 HydrophobicContact CZ-CG 3.52Å; F162-Y174 PolarHBondContact N-O 3.48Å; F162-Y174 PolarHBondContact O-N 2.83Å; F162-L176 HydrophobicContact CD1-CD1 3.91Å; F162-L176 HydrophobicContact CE1-CD1 4.07Å; F162-F179 HydrophobicContact CE1-CB 3.73Å; F162-F179 HydrophobicContact CE1-CG 4.21Å; F162-F179 HydrophobicContact CZ-CB 3.68Å; F162-F179 HydrophobicContact CZ-CG 4.23Å |
| 163 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | A153 A154 V171 K172 L173 L201 F203 L210 | A153-A163 VanDerWaalsContact CA-O 3.23Å; A153-A163 WeakPolarHBondContact CA-O 3.35Å; A154-A163 PolarHBondContact N-O 3.06Å; A154-A163 PolarHBondContact O-N 3.15Å; A163-V171 HydrophobicContact CB-CG1 3.81Å; A163-K172 CarbonylContact C-O 3.43Å; A163-K172 WeakPolarHBondContact CA-O 3.3Å; A163-L173 HydrophobicContact CB-CD2 3.51Å; A163-L201 HydrophobicContact CB-CD2 3.64Å; A163-L201 HydrophobicContact CB-CG 4.47Å; A163-F203 HydrophobicContact CB-CE2 3.48Å; A163-F203 VanDerWaalsContact CB-CE2 3.48Å; A163-F203 HydrophobicContact CB-CZ 3.76Å; A163-L210 HydrophobicContact CB-CD2 4.13Å |
| 164 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I131 T152 I166 V171 K172 Y174 | I131-A164 HydrophobicContact CD1-CB 3.5Å; T152-A164 CarbonylContact O-C 3.59Å; T152-A164 WeakPolarHBondContact O-CA 3.38Å; A164-I166 HydrophobicContact CB-CD1 4.49Å; A164-I166 HydrophobicContact CB-CG1 4.35Å; A164-V171 CarbonylContact O-C 3.51Å; A164-V171 WeakPolarHBondContact O-CA 3.37Å; A164-K172 PolarHBondContact N-O 2.96Å; A164-K172 PolarHBondContact O-N 2.86Å; A164-Y174 HydrophobicContact CB-CD2 4.43Å; A164-Y174 HydrophobicContact CB-CE2 3.97Å |
| 165 | G | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T152 | T152-G165 PolarHBondContact N-O 3.28Å; T152-G165 VanDerWaalsContact N-O 3.09Å; T152-G165 PolarHBondContact O-N 2.78Å |
| 166 | I | 92.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.9 | -170.4 | -56 | 179.3 | 0 | 0 | 0 | 109.6 | V147 S148 A164 S168 E169 S170 K172 | V147-I166 HydrophobicContact CB-CD1 4.26Å; V147-I166 HydrophobicContact CB-CG1 4.3Å; V147-I166 HydrophobicContact CB-CG2 4.36Å; V147-I166 HydrophobicContact CG1-CD1 3.85Å; V147-I166 HydrophobicContact CG1-CG1 4.14Å; S148-I166 VanDerWaalsContact O-CG2 3.29Å; S148-I166 WeakPolarHBondContact O-CG2 3.45Å; S148-I166 WeakPolarHBondContact OG-CG2 3.42Å; A164-I166 HydrophobicContact CB-CD1 4.49Å; A164-I166 HydrophobicContact CB-CG1 4.35Å; I166-S168 PolarHBondContact O-N 3.29Å; I166-E169 PolarHBondContact O-N 3.23Å; I166-E169 VanDerWaalsContact O-N 3.11Å; I166-S170 PolarHBondContact N-O 2.92Å; I166-S170 PolarHBondContact O-N 3.23Å; I166-K172 HydrophobicContact CD1-CB 4.32Å; I166-K172 HydrophobicContact CD1-CD 3.5Å; I166-K172 HydrophobicContact CD1-CG 3.89Å |
| 167 | N | 87.9 | Confident | 96.1 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 18.5 | 177.5 | -160.9 | 43.8 | 0 | 0 | 0 | 115.2 | S148 E169 | S148-N167 PolarHBondContact O-N 3.48Å; N167-E169 PolarHBondContact ND2-OE2 2.99Å; N167-E169 PolarHBondContact O-N 3.35Å |
| 168 | S | 91.9 | Very high | 96 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.1 | -172.4 | -46.6 | 0 | 0 | 0 | 0 | 113.7 | I166 I197 W198 | I166-S168 PolarHBondContact O-N 3.29Å; S168-I197 VanDerWaalsContact OG-CA 3.31Å; S168-I197 WeakPolarHBondContact OG-CA 2.99Å; S168-W198 VanDerWaalsContact C-CE2 3.45Å; S168-W198 PolarHBondContact OG-N 2.97Å |
| 169 | E | 92.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 37.2 Ų | 37.2 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | -38.2 | -173.6 | -176.5 | -165.7 | 157.9 | 0 | 0 | 112.1 | I166 N167 L189 G190 M191 | I166-E169 PolarHBondContact O-N 3.23Å; I166-E169 VanDerWaalsContact O-N 3.11Å; N167-E169 PolarHBondContact ND2-OE2 2.99Å; N167-E169 PolarHBondContact O-N 3.35Å; E169-L189 PolarHBondContact O-N 3.43Å; E169-G190 PolarHBondContact O-N 2.91Å; E169-M191 HydrophobicContact CG-CG 4Å |
| 170 | S | 95.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.3 | -175 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | I166 F187 W198 | I166-S170 PolarHBondContact N-O 2.92Å; I166-S170 PolarHBondContact O-N 3.23Å; S170-F187 CarbonylContact C-O 3.55Å; S170-F187 WeakPolarHBondContact CA-O 3.19Å; S170-F187 WeakPolarHBondContact CB-O 3.36Å; S170-W198 VanDerWaalsContact O-CZ3 3.29Å; S170-W198 WeakPolarHBondContact O-CZ3 3.5Å |
| 171 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.3 | 167.3 | 178.7 | 0 | 0 | 0 | 0 | 108 | A163 A164 L173 T186 F187 L189 W198 L201 L210 I212 | A163-V171 HydrophobicContact CB-CG1 3.81Å; A164-V171 CarbonylContact O-C 3.51Å; A164-V171 WeakPolarHBondContact O-CA 3.37Å; V171-L173 HydrophobicContact CG1-CD2 4.09Å; V171-T186 CarbonylContact O-C 3.55Å; V171-T186 WeakPolarHBondContact O-CA 3.47Å; V171-F187 HydrophobicContact CB-CB 4.42Å; V171-F187 HydrophobicContact CB-CD2 4.44Å; V171-F187 PolarHBondContact N-O 3.23Å; V171-F187 PolarHBondContact O-N 3.19Å; V171-L189 HydrophobicContact CG2-CD1 3.99Å; V171-W198 HydrophobicContact CG2-CH2 3.87Å; V171-W198 HydrophobicContact CG2-CZ3 3.6Å; V171-L201 HydrophobicContact CG1-CD2 4.5Å; V171-L201 HydrophobicContact CG2-CD1 4.28Å; V171-L210 HydrophobicContact CG1-CD1 4.08Å; V171-I212 HydrophobicContact CG2-CD1 3.82Å |
| 172 | K | 97.5 | Very high | 95.2 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 27% | 0.265 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.7 | 174.4 | -67.3 | -164.9 | 177.5 | -172.4 | 0 | 109.7 | A163 A164 I166 Y174 P183 A185 T186 | A163-K172 CarbonylContact C-O 3.43Å; A163-K172 WeakPolarHBondContact CA-O 3.3Å; A164-K172 PolarHBondContact N-O 2.96Å; A164-K172 PolarHBondContact O-N 2.86Å; I166-K172 HydrophobicContact CD1-CB 4.32Å; I166-K172 HydrophobicContact CD1-CD 3.5Å; I166-K172 HydrophobicContact CD1-CG 3.89Å; K172-Y174 HydrophobicContact CB-CD2 4.35Å; K172-Y174 HydrophobicContact CB-CE2 3.54Å; K172-P183 HydrophobicContact CB-CB 3.96Å; K172-P183 HydrophobicContact CD-CB 4.19Å; K172-P183 HydrophobicContact CD-CG 3.98Å; K172-P183 HydrophobicContact CG-CB 4.43Å; K172-A185 WeakPolarHBondContact CA-O 3.13Å; K172-T186 HydrophobicContact CG-CG2 4.12Å |
| 173 | L | 98.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.3 | 178 | -55.4 | -175 | 0 | 0 | 0 | 110.4 | I161 A163 V171 P183 F184 A185 F187 F203 | I161-L173 HydrophobicContact CG2-CB 4.31Å; A163-L173 HydrophobicContact CB-CD2 3.51Å; V171-L173 HydrophobicContact CG1-CD2 4.09Å; L173-P183 CarbonylContact O-C 3.58Å; L173-P183 WeakPolarHBondContact O-CA 3.34Å; L173-P183 WeakPolarHBondContact O-CB 3.44Å; L173-F184 HydrophobicContact CB-CD1 4.43Å; L173-F184 HydrophobicContact CB-CE1 3.77Å; L173-F184 HydrophobicContact CB-CE2 3.89Å; L173-F184 HydrophobicContact CB-CZ 3.46Å; L173-F184 VanDerWaalsContact CB-CZ 3.46Å; L173-F184 HydrophobicContact CD1-CE2 4.16Å; L173-F184 HydrophobicContact CD1-CZ 4.09Å; L173-F184 HydrophobicContact CG-CZ 4.44Å; L173-F184 WeakPolarHBondContact O-CD1 3.15Å; L173-F184 PolarHBondContact O-N 2.93Å; L173-A185 HydrophobicContact CB-CB 4.19Å; L173-A185 HydrophobicContact CD1-CB 4.22Å; L173-A185 HydrophobicContact CG-CB 4.35Å; L173-A185 PolarHBondContact N-O 3.23Å; L173-F187 HydrophobicContact CD1-CE2 3.67Å; L173-F187 HydrophobicContact CD1-CZ 3.61Å; L173-F187 HydrophobicContact CG-CE2 4.11Å; L173-F187 HydrophobicContact CG-CZ 4.33Å; L173-F203 HydrophobicContact CD2-CZ 4.17Å |
| 174 | Y | 98 | Very high | 95.1 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.9 | -177.2 | -66.3 | -100 | 0 | 0 | 0 | 110.1 | M145 I161 F162 A164 K172 F179 G182 P183 F184 | M145-Y174 HydrophobicContact SD-CD1 4Å; M145-Y174 HydrophobicContact SD-CD2 4.39Å; M145-Y174 HydrophobicContact SD-CE1 3.87Å; M145-Y174 HydrophobicContact SD-CE2 4.3Å; M145-Y174 HydrophobicContact SD-CG 4.26Å; I161-Y174 VanDerWaalsContact CA-O 3.27Å; I161-Y174 WeakPolarHBondContact CA-O 3.43Å; I161-Y174 WeakPolarHBondContact CG2-O 3.43Å; F162-Y174 HydrophobicContact CD2-CD2 4.12Å; F162-Y174 HydrophobicContact CD2-CG 4.44Å; F162-Y174 HydrophobicContact CE1-CG 4.34Å; F162-Y174 HydrophobicContact CE2-CD1 4.44Å; F162-Y174 AromaticContact CE2-CD2 3.4Å; F162-Y174 HydrophobicContact CE2-CD2 3.4Å; F162-Y174 VanDerWaalsContact CE2-CD2 3.4Å; F162-Y174 HydrophobicContact CE2-CE2 4.21Å; F162-Y174 AromaticContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CZ-CD1 4.15Å; F162-Y174 AromaticContact CZ-CD2 3.91Å; F162-Y174 HydrophobicContact CZ-CD2 3.91Å; F162-Y174 AromaticContact CZ-CG 3.52Å; F162-Y174 HydrophobicContact CZ-CG 3.52Å; F162-Y174 PolarHBondContact N-O 3.48Å; F162-Y174 PolarHBondContact O-N 2.83Å; A164-Y174 HydrophobicContact CB-CD2 4.43Å; A164-Y174 HydrophobicContact CB-CE2 3.97Å; K172-Y174 HydrophobicContact CB-CD2 4.35Å; K172-Y174 HydrophobicContact CB-CE2 3.54Å; Y174-F179 HydrophobicContact CD1-CB 3.97Å; Y174-F179 HydrophobicContact CG-CB 4.38Å; Y174-G182 VanDerWaalsContact CE1-C 3.47Å; Y174-P183 HydrophobicContact CD1-CB 4.37Å; Y174-P183 HydrophobicContact CD2-CB 4.45Å; Y174-P183 HydrophobicContact CE1-CB 4.01Å; Y174-P183 HydrophobicContact CE1-CG 4.47Å; Y174-P183 VanDerWaalsContact CE1-N 3.31Å; Y174-P183 HydrophobicContact CE2-CB 4.06Å; Y174-F184 VanDerWaalsContact C-CE1 3.41Å |
| 175 | D | 97.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.4 | 167.1 | 174.3 | -67.4 | 0 | 0 | 0 | 107.7 | R177 S178 F179 F184 | D175-R177 PolarHBondContact O-N 2.88Å; D175-R177 WeakPolarHBondContact OD1-CA 3.31Å; D175-R177 WeakPolarHBondContact OD1-CB 3.32Å; D175-R177 PolarHBondContact OD1-N 3.35Å; D175-S178 CarbonylContact O-C 3.54Å; D175-S178 PolarHBondContact O-N 2.86Å; D175-S178 VanDerWaalsContact O-N 3.11Å; D175-S178 PolarHBondContact OD1-N 2.59Å; D175-S178 VanDerWaalsContact OD1-N 3.11Å; D175-S178 PolarHBondContact OD1-OG 3.06Å; D175-F179 WeakPolarHBondContact O-CA 3.42Å; D175-F179 WeakPolarHBondContact O-CB 3.25Å; D175-F179 PolarHBondContact O-N 3.32Å; D175-F184 HydrophobicContact CB-CD1 4.3Å |
| 176 | L | 96.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | -174.1 | -176.9 | 63.2 | 0 | 0 | 0 | 113.1 | L133 F155 G159 L160 F162 S178 F179 | L133-L176 HydrophobicContact CD1-CD1 4Å; L133-L176 HydrophobicContact CD2-CD1 3.83Å; F155-L176 HydrophobicContact CE1-CD1 3.9Å; F155-L176 HydrophobicContact CE1-CD2 3.89Å; F155-L176 HydrophobicContact CE1-CG 4.46Å; F155-L176 HydrophobicContact CZ-CD1 4.46Å; G159-L176 VanDerWaalsContact O-CD2 3.24Å; G159-L176 WeakPolarHBondContact O-CD2 3.47Å; L160-L176 WeakPolarHBondContact O-CB 3.36Å; L160-L176 PolarHBondContact O-N 2.83Å; F162-L176 HydrophobicContact CD1-CD1 3.91Å; F162-L176 HydrophobicContact CE1-CD1 4.07Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-F179 VanDerWaalsContact O-CD1 3.27Å; L176-F179 WeakPolarHBondContact O-CD1 3.32Å |
| 177 | R | 94.8 | Very high | 95.3 | Very high | 219 Ų | 219 | 57.9 Ų | 57.9 | 83% | 0.826 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14 | -180 | -62.9 | 179.1 | 175.8 | 169.9 | 0.4 | 112.7 | D175 | D175-R177 PolarHBondContact O-N 2.88Å; D175-R177 WeakPolarHBondContact OD1-CA 3.31Å; D175-R177 WeakPolarHBondContact OD1-CB 3.32Å; D175-R177 PolarHBondContact OD1-N 3.35Å |
| 178 | S | 95.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -145.3 | 30.2 | -173 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | D175 L176 D180 K181 | D175-S178 CarbonylContact O-C 3.54Å; D175-S178 PolarHBondContact O-N 2.86Å; D175-S178 VanDerWaalsContact O-N 3.11Å; D175-S178 PolarHBondContact OD1-N 2.59Å; D175-S178 VanDerWaalsContact OD1-N 3.11Å; D175-S178 PolarHBondContact OD1-OG 3.06Å; L176-S178 VanDerWaalsContact C-N 3.35Å; S178-D180 WeakPolarHBondContact CA-OD1 3.48Å; S178-D180 PolarHBondContact O-N 3.11Å; S178-K181 VanDerWaalsContact O-CB 3.32Å; S178-K181 WeakPolarHBondContact O-CB 3.47Å; S178-K181 PolarHBondContact O-N 3.28Å |
| 179 | F | 94.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.4 | -177.9 | 65.5 | -90.3 | 0 | 0 | 0 | 113.4 | L133 M145 F162 Y174 D175 L176 K181 G182 | L133-F179 HydrophobicContact CD2-CE1 3.93Å; L133-F179 HydrophobicContact CD2-CZ 4.39Å; M145-F179 HydrophobicContact CG-CD2 3.9Å; M145-F179 HydrophobicContact CG-CE2 4.42Å; M145-F179 HydrophobicContact SD-CB 4.49Å; M145-F179 HydrophobicContact SD-CD2 4.14Å; F162-F179 HydrophobicContact CE1-CB 3.73Å; F162-F179 HydrophobicContact CE1-CG 4.21Å; F162-F179 HydrophobicContact CZ-CB 3.68Å; F162-F179 HydrophobicContact CZ-CG 4.23Å; Y174-F179 HydrophobicContact CD1-CB 3.97Å; Y174-F179 HydrophobicContact CG-CB 4.38Å; D175-F179 WeakPolarHBondContact O-CA 3.42Å; D175-F179 WeakPolarHBondContact O-CB 3.25Å; D175-F179 PolarHBondContact O-N 3.32Å; L176-F179 VanDerWaalsContact O-CD1 3.27Å; L176-F179 WeakPolarHBondContact O-CD1 3.32Å; F179-K181 PolarHBondContact O-N 2.9Å; F179-G182 PolarHBondContact O-N 3.5Å |
| 180 | D | 91.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -61.7 | -24.5 | 173.2 | 64.7 | -44.3 | 0 | 0 | 0 | 112.6 | S178 G182 | S178-D180 WeakPolarHBondContact CA-OD1 3.48Å; S178-D180 PolarHBondContact O-N 3.11Å; D180-G182 PolarHBondContact O-N 2.75Å |
| 181 | K | 94.2 | Very high | 94.7 | Very high | 172 Ų | 172 | 67.8 Ų | 67.8 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -74.6 | -5 | 172.9 | -57.9 | -176.5 | -175.2 | 170.2 | 0 | 113.5 | S178 F179 | S178-K181 VanDerWaalsContact O-CB 3.32Å; S178-K181 WeakPolarHBondContact O-CB 3.47Å; S178-K181 PolarHBondContact O-N 3.28Å; F179-K181 PolarHBondContact O-N 2.9Å |
| 182 | G | 93.8 | Very high | 94 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | trans | 90.8 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y174 F179 D180 | Y174-G182 VanDerWaalsContact CE1-C 3.47Å; F179-G182 PolarHBondContact O-N 3.5Å; D180-G182 PolarHBondContact O-N 2.75Å | ||
| 183 | P | 96.2 | Very high | 93 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 138.3 | -176.8 | 33.6 | -39.8 | 0 | 0 | 0 | 111.2 | K172 L173 Y174 | K172-P183 HydrophobicContact CB-CB 3.96Å; K172-P183 HydrophobicContact CD-CB 4.19Å; K172-P183 HydrophobicContact CD-CG 3.98Å; K172-P183 HydrophobicContact CG-CB 4.43Å; L173-P183 CarbonylContact O-C 3.58Å; L173-P183 WeakPolarHBondContact O-CA 3.34Å; L173-P183 WeakPolarHBondContact O-CB 3.44Å; Y174-P183 HydrophobicContact CD1-CB 4.37Å; Y174-P183 HydrophobicContact CD2-CB 4.45Å; Y174-P183 HydrophobicContact CE1-CB 4.01Å; Y174-P183 HydrophobicContact CE1-CG 4.47Å; Y174-P183 VanDerWaalsContact CE1-N 3.31Å; Y174-P183 HydrophobicContact CE2-CB 4.06Å | ||
| 184 | F | 97 | Very high | 92 | Very high | 115 Ų | 115 | 74.8 Ų | 74.8 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -84 | -19.2 | 171.3 | 68.4 | -98.7 | 0 | 0 | 0 | 112.4 | I161 L173 Y174 D175 | I161-F184 HydrophobicContact CD1-CE1 4.44Å; I161-F184 HydrophobicContact CD1-CZ 3.95Å; I161-F184 HydrophobicContact CG1-CE1 4.11Å; I161-F184 HydrophobicContact CG1-CZ 4.1Å; I161-F184 HydrophobicContact CG2-CE1 4.02Å; I161-F184 HydrophobicContact CG2-CZ 3.95Å; L173-F184 HydrophobicContact CB-CD1 4.43Å; L173-F184 HydrophobicContact CB-CE1 3.77Å; L173-F184 HydrophobicContact CB-CE2 3.89Å; L173-F184 HydrophobicContact CB-CZ 3.46Å; L173-F184 VanDerWaalsContact CB-CZ 3.46Å; L173-F184 HydrophobicContact CD1-CE2 4.16Å; L173-F184 HydrophobicContact CD1-CZ 4.09Å; L173-F184 HydrophobicContact CG-CZ 4.44Å; L173-F184 WeakPolarHBondContact O-CD1 3.15Å; L173-F184 PolarHBondContact O-N 2.93Å; Y174-F184 VanDerWaalsContact C-CE1 3.41Å; D175-F184 HydrophobicContact CB-CD1 4.3Å |
| 185 | A | 97.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 77 Ų | 77 | 20% | 0.198 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K172 L173 F187 | K172-A185 WeakPolarHBondContact CA-O 3.13Å; L173-A185 HydrophobicContact CB-CB 4.19Å; L173-A185 HydrophobicContact CD1-CB 4.22Å; L173-A185 HydrophobicContact CG-CB 4.35Å; L173-A185 PolarHBondContact N-O 3.23Å; A185-F187 HydrophobicContact CB-CE1 4.11Å; A185-F187 HydrophobicContact CB-CZ 4.49Å |
| 186 | T | 97.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 117.3 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | V171 K172 K188 | V171-T186 CarbonylContact O-C 3.55Å; V171-T186 WeakPolarHBondContact O-CA 3.47Å; K172-T186 HydrophobicContact CG-CG2 4.12Å; T186-K188 HydrophobicContact CG2-CG 4.42Å |
| 187 | F | 97.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.083 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.4 | 176.2 | -52.6 | -29.9 | 0 | 0 | 0 | 109.1 | S170 V171 L173 A185 L189 L210 A224 G227 | S170-F187 CarbonylContact C-O 3.55Å; S170-F187 WeakPolarHBondContact CA-O 3.19Å; S170-F187 WeakPolarHBondContact CB-O 3.36Å; V171-F187 HydrophobicContact CB-CB 4.42Å; V171-F187 HydrophobicContact CB-CD2 4.44Å; V171-F187 PolarHBondContact N-O 3.23Å; V171-F187 PolarHBondContact O-N 3.19Å; L173-F187 HydrophobicContact CD1-CE2 3.67Å; L173-F187 HydrophobicContact CD1-CZ 3.61Å; L173-F187 HydrophobicContact CG-CE2 4.11Å; L173-F187 HydrophobicContact CG-CZ 4.33Å; A185-F187 HydrophobicContact CB-CE1 4.11Å; A185-F187 HydrophobicContact CB-CZ 4.49Å; F187-L189 HydrophobicContact CB-CD2 4.39Å; F187-L210 HydrophobicContact CD2-CD1 4.41Å; F187-L210 HydrophobicContact CE2-CD1 4.31Å; F187-A224 WeakPolarHBondContact CE2-O 3.09Å; F187-G227 VanDerWaalsContact CD1-CA 3.46Å |
| 188 | K | 95.3 | Very high | 91 | Very high | 171 Ų | 171 | 66.1 Ų | 66.1 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 109.5 | 175.1 | -65.6 | -175 | 179.1 | -176.4 | 0 | 108.9 | T186 | T186-K188 HydrophobicContact CG2-CG 4.42Å |
| 189 | L | 92.7 | Very high | 91 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | trans | -98.1 | -1.3 | -174.4 | -57.4 | 177.5 | 0 | 0 | 0 | 112.8 | E169 V171 F187 W198 I212 R220 V222 | E169-L189 PolarHBondContact O-N 3.43Å; V171-L189 HydrophobicContact CG2-CD1 3.99Å; F187-L189 HydrophobicContact CB-CD2 4.39Å; L189-W198 HydrophobicContact CB-CZ2 4.41Å; L189-W198 HydrophobicContact CD1-CH2 3.83Å; L189-W198 HydrophobicContact CD1-CZ2 4.07Å; L189-I212 HydrophobicContact CD1-CD1 3.14Å; L189-R220 PolarHBondContact O-NH1 3Å; L189-V222 HydrophobicContact CD1-CG2 3.81Å; L189-V222 HydrophobicContact CD2-CG1 3.89Å; L189-V222 HydrophobicContact CD2-CG2 3.98Å | ||
| 190 | G | 85.6 | Confident | 91.1 | Very high | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | trans | 81.3 | 152.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E169 | E169-G190 PolarHBondContact O-N 2.91Š| ||
| 191 | M | 80.9 | Confident | 91.4 | Very high | 142 Ų | 142 | 58.7 Ų | 58.7 | 70% | 0.7 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 140.2 | 178.4 | -63.9 | 179.2 | 69.3 | 0 | 0 | 110.4 | E169 | E169-M191 HydrophobicContact CG-CG 4Š|
| 192 | E | 82.5 | Confident | 91.6 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 141.9 | 170.7 | -65.6 | -61.9 | 171.5 | 0 | 0 | 111.5 | C196 W198 R220 | E192-C196 HydrophobicContact CB-CB 3.86Å; E192-C196 WeakPolarHBondContact CB-O 3.47Å; E192-C196 HydrophobicContact CG-CB 4.4Å; E192-W198 PolarHBondContact OE1-NE1 2.74Å; E192-R220 VanDerWaalsContact CD-NH2 3.28Å; E192-R220 IonicContact OE1-CZ 3.52Å; E192-R220 IonicContact OE1-NE 3.42Å; E192-R220 PolarHBondContact OE1-NE 2.5Å; E192-R220 IonicContact OE1-NH2 2.78Å; E192-R220 PolarHBondContact OE1-NH2 2.78Å; E192-R220 IonicContact OE2-CZ 3.36Å; E192-R220 IonicContact OE2-NE 2.78Å; E192-R220 PolarHBondContact OE2-NE 3.5Å; E192-R220 IonicContact OE2-NH2 3.86Å; E192-R220 PolarHBondContact OE2-NH2 2.89Å |
| 193 | T | 76.4 | Confident | 91.8 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 60% | 0.595 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -62.6 | 144.9 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | G195 C196 | T193-G195 PolarHBondContact O-N 2.6Å; T193-G195 VanDerWaalsContact O-N 3.1Å; T193-C196 PolarHBondContact O-N 3.13Å; T193-C196 PolarHBondContact O-SG 2.99Å |
| 194 | S | 78.9 | Confident | 91.9 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | 59.5 | 24.2 | 169.5 | -49 | 0 | 0 | 0 | 0 | 114.7 | C196 R241 | S194-C196 VanDerWaalsContact C-N 3.34Å; S194-C196 PolarHBondContact O-N 3.08Å; S194-R241 VanDerWaalsContact CB-NH2 3.35Å; S194-R241 PolarHBondContact O-NH1 2.79Å; S194-R241 PolarHBondContact O-NH2 3.04Å |
| 195 | G | 84 | Confident | 91.9 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | 71.1 | 24.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T193 | T193-G195 PolarHBondContact O-N 2.6Å; T193-G195 VanDerWaalsContact O-N 3.1Å |
| 196 | C | 91.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | trans | -60.8 | 148.8 | 168.5 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | E192 T193 S194 N215 G216 R241 | E192-C196 HydrophobicContact CB-CB 3.86Å; E192-C196 WeakPolarHBondContact CB-O 3.47Å; E192-C196 HydrophobicContact CG-CB 4.4Å; T193-C196 PolarHBondContact O-N 3.13Å; T193-C196 PolarHBondContact O-SG 2.99Å; S194-C196 VanDerWaalsContact C-N 3.34Å; S194-C196 PolarHBondContact O-N 3.08Å; C196-N215 WeakPolarHBondContact CA-OD1 3.2Å; C196-G216 VanDerWaalsContact SG-CA 3.56Å; C196-R241 PolarHBondContact SG-NH1 2.79Å | ||
| 197 | I | 93.6 | Very high | 92 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | trans | -115.8 | 148.5 | 178.5 | 56.4 | 164.6 | 0 | 0 | 0 | 110.5 | S168 T214 N215 | S168-I197 VanDerWaalsContact OG-CA 3.31Å; S168-I197 WeakPolarHBondContact OG-CA 2.99Å; I197-T214 CarbonylContact O-C 3.55Å; I197-T214 VanDerWaalsContact O-CA 3.23Å; I197-T214 WeakPolarHBondContact O-CA 2.95Å; I197-T214 WeakPolarHBondContact O-CB 3.37Å; I197-N215 HydrophobicContact CG1-CB 4.27Å; I197-N215 VanDerWaalsContact CG1-CG 3.44Å; I197-N215 WeakPolarHBondContact CG1-ND2 3.32Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.35Å; I197-N215 PolarHBondContact N-OD1 2.87Å; I197-N215 PolarHBondContact O-N 3.2Å; I197-N215 PolarHBondContact O-OD1 3.05Å | ||
| 198 | W | 95.6 | Very high | 92 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.3 | 169.6 | -62.6 | -4 | 0 | 0 | 0 | 109.3 | R150 T152 S168 S170 V171 L189 E192 I212 T213 | R150-W198 PolarHBondContact NH1-O 3.37Å; T152-W198 HydrophobicContact CG2-CB 4.33Å; T152-W198 HydrophobicContact CG2-CE3 4.39Å; S168-W198 VanDerWaalsContact C-CE2 3.45Å; S168-W198 PolarHBondContact OG-N 2.97Å; S170-W198 VanDerWaalsContact O-CZ3 3.29Å; S170-W198 WeakPolarHBondContact O-CZ3 3.5Å; V171-W198 HydrophobicContact CG2-CH2 3.87Å; V171-W198 HydrophobicContact CG2-CZ3 3.6Å; L189-W198 HydrophobicContact CB-CZ2 4.41Å; L189-W198 HydrophobicContact CD1-CH2 3.83Å; L189-W198 HydrophobicContact CD1-CZ2 4.07Å; E192-W198 PolarHBondContact OE1-NE1 2.74Å; W198-I212 HydrophobicContact CB-CG2 4.21Å; W198-I212 HydrophobicContact CD2-CG2 3.41Å; W198-I212 VanDerWaalsContact CD2-CG2 3.41Å; W198-I212 HydrophobicContact CE3-CG2 3.95Å; W198-I212 HydrophobicContact CG-CG2 3.52Å; W198-I212 HydrophobicContact CH2-CD1 4.03Å; W198-I212 HydrophobicContact CZ2-CD1 4.14Å; W198-I212 HydrophobicContact CZ2-CG2 4.27Å; W198-I212 HydrophobicContact CZ3-CD1 4.29Å; W198-T213 CarbonylContact C-O 3.54Å; W198-T213 WeakPolarHBondContact CA-O 3.5Å |
| 199 | T | 95.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -28.5 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 112 | R150 T213 N215 T243 L244 | R150-T199 PolarHBondContact NH1-O 3.17Å; T199-T213 PolarHBondContact N-O 3.21Å; T199-T213 WeakPolarHBondContact OG1-CG2 3.28Å; T199-T213 PolarHBondContact OG1-O 3.47Å; T199-N215 HydrophobicContact CG2-CB 3.76Å; T199-T243 HydrophobicContact CG2-CG2 3.79Å; T199-L244 PolarHBondContact OG1-O 3Å |
| 200 | G | 96.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 158 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T152 T213 | T152-G200 WeakPolarHBondContact OG1-CA 3.47Å; G200-T213 PolarHBondContact N-O 3.29Å; G200-T213 PolarHBondContact O-N 3.08Å |
| 201 | L | 98.2 | Very high | 93 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.1 | 175.5 | -174.9 | 66 | 0 | 0 | 0 | 107.3 | T152 A154 A163 V171 L210 L211 I212 | T152-L201 HydrophobicContact CG2-CB 3.65Å; T152-L201 HydrophobicContact CG2-CD2 4.35Å; T152-L201 WeakPolarHBondContact OG1-CB 3.24Å; T152-L201 PolarHBondContact OG1-N 2.88Å; T152-L201 VanDerWaalsContact OG1-N 3.11Å; A154-L201 HydrophobicContact CB-CB 4.38Å; A154-L201 HydrophobicContact CB-CD2 4.48Å; A154-L201 HydrophobicContact CB-CG 4.14Å; A154-L201 WeakPolarHBondContact CB-O 3.27Å; A163-L201 HydrophobicContact CB-CD2 3.64Å; A163-L201 HydrophobicContact CB-CG 4.47Å; V171-L201 HydrophobicContact CG1-CD2 4.5Å; V171-L201 HydrophobicContact CG2-CD1 4.28Å; L201-L210 HydrophobicContact CD1-CD2 4.15Å; L201-L210 HydrophobicContact CG-CD2 4.47Å; L201-L211 CarbonylContact C-O 3.42Å; L201-L211 WeakPolarHBondContact CA-O 3.44Å; L201-I212 HydrophobicContact CD1-CG1 3.69Å |
| 202 | Q | 98.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 138.1 | 179.7 | -165.7 | -177.1 | 32.6 | 0 | 0 | 109.9 | L210 L211 F248 | Q202-L210 CarbonylContact O-C 3.56Å; Q202-L210 WeakPolarHBondContact O-CA 3.34Å; Q202-L211 HydrophobicContact CB-CB 4.47Å; Q202-L211 PolarHBondContact N-O 3.15Å; Q202-L211 PolarHBondContact O-N 3.45Å; Q202-F248 HydrophobicContact CG-CD2 4.39Å |
| 203 | F | 98.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 146.1 | 165.1 | -77.1 | -97.4 | 0 | 0 | 0 | 110.5 | A154 F155 D156 A163 L173 A209 L210 A224 | A154-F203 HydrophobicContact CB-CD2 4.08Å; A154-F203 HydrophobicContact CB-CE2 4.49Å; F155-F203 VanDerWaalsContact C-CD2 3.47Å; F155-F203 WeakPolarHBondContact O-CD2 3.17Å; D156-F203 HydrophobicContact CB-CD1 4.25Å; D156-F203 HydrophobicContact CB-CD2 4.35Å; D156-F203 HydrophobicContact CB-CE1 4.13Å; D156-F203 HydrophobicContact CB-CE2 4.22Å; D156-F203 HydrophobicContact CB-CG 4.34Å; D156-F203 HydrophobicContact CB-CZ 4.1Å; A163-F203 HydrophobicContact CB-CE2 3.48Å; A163-F203 VanDerWaalsContact CB-CE2 3.48Å; A163-F203 HydrophobicContact CB-CZ 3.76Å; L173-F203 HydrophobicContact CD2-CZ 4.17Å; F203-A209 CarbonylContact C-O 3.54Å; F203-A209 WeakPolarHBondContact CA-O 3.21Å; F203-L210 HydrophobicContact CD1-CD2 3.69Å; F203-L210 HydrophobicContact CD1-CG 4.14Å; F203-L210 HydrophobicContact CD2-CD2 3.62Å; F203-L210 HydrophobicContact CE1-CD1 4.48Å; F203-L210 HydrophobicContact CE1-CD2 3.68Å; F203-L210 HydrophobicContact CE1-CG 4.03Å; F203-L210 HydrophobicContact CE2-CD2 3.63Å; F203-L210 HydrophobicContact CG-CD2 3.68Å; F203-L210 HydrophobicContact CZ-CD2 3.67Å; F203-L210 HydrophobicContact CZ-CG 4.37Å; F203-A224 HydrophobicContact CD1-CB 4.03Å; F203-A224 HydrophobicContact CE1-CB 3.91Å |
| 204 | S | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -61.7 | 151 | 163.9 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | P157 D206 G207 K208 A209 | P157-S204 VanDerWaalsContact CG-O 3.24Å; P157-S204 WeakPolarHBondContact CG-O 3.43Å; S204-D206 WeakPolarHBondContact CB-OD1 3.43Å; S204-D206 PolarHBondContact O-N 2.85Å; S204-D206 PolarHBondContact OG-OD1 2.89Å; S204-G207 WeakPolarHBondContact O-CA 3.41Å; S204-G207 PolarHBondContact O-N 2.98Å; S204-G207 PolarHBondContact OG-N 2.99Å; S204-K208 PolarHBondContact OG-N 2.88Å; S204-K208 VanDerWaalsContact OG-N 3.14Å; S204-A209 PolarHBondContact N-O 3.45Å; S204-A209 PolarHBondContact OG-N 3.12Å; S204-A209 PolarHBondContact OG-O 2.87Å | ||
| 205 | S | 97 | Very high | 96.1 | Very high | 69 Ų | 69 | 27.3 Ų | 27.3 | 48% | 0.483 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.4 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 113.3 | P157 G207 P250 S252 | P157-S205 WeakPolarHBondContact CG-O 3.2Å; S205-G207 VanDerWaalsContact C-N 3.34Å; S205-P250 VanDerWaalsContact CB-O 3.32Å; S205-P250 WeakPolarHBondContact CB-O 3.5Å; S205-P250 PolarHBondContact OG-O 3.01Å; S205-S252 WeakPolarHBondContact CA-OG 3.16Å; S205-S252 WeakPolarHBondContact CB-OG 3.47Å; S205-S252 PolarHBondContact N-OG 2.84Å |
| 206 | D | 97.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 24.7 Ų | 24.7 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1.2 | 172.2 | 78.6 | -17.9 | 0 | 0 | 0 | 114.2 | S204 K208 S252 | S204-D206 WeakPolarHBondContact CB-OD1 3.43Å; S204-D206 PolarHBondContact O-N 2.85Å; S204-D206 PolarHBondContact OG-OD1 2.89Å; D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 3.32Å; D206-K208 PolarHBondContact OD1-N 2.95Å; D206-K208 VanDerWaalsContact OD2-CD 3.28Å; D206-K208 WeakPolarHBondContact OD2-CD 3.5Å; D206-K208 VanDerWaalsContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CE 3.3Å; D206-K208 IonicContact OD2-NZ 3.41Å; D206-K208 PolarHBondContact OD2-NZ 2.77Å; D206-S252 PolarHBondContact N-OG 3.08Å |
| 207 | G | 97.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 13% | 0.134 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 74.8 | 3.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S204 S205 A224 | S204-G207 WeakPolarHBondContact O-CA 3.41Å; S204-G207 PolarHBondContact O-N 2.98Å; S204-G207 PolarHBondContact OG-N 2.99Å; S205-G207 VanDerWaalsContact C-N 3.34Å; G207-A224 VanDerWaalsContact O-CB 3.26Å; G207-A224 WeakPolarHBondContact O-CB 3.42Å |
| 208 | K | 98.2 | Very high | 96.6 | Very high | 123 Ų | 123 | 25.9 Ų | 25.9 | 54% | 0.535 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -88.9 | -23.6 | -172.9 | -60.4 | -176.1 | -161.8 | 129.9 | 0 | 114.7 | S204 D206 A224 F225 | S204-K208 PolarHBondContact OG-N 2.88Å; S204-K208 VanDerWaalsContact OG-N 3.14Å; D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 3.32Å; D206-K208 PolarHBondContact OD1-N 2.95Å; D206-K208 VanDerWaalsContact OD2-CD 3.28Å; D206-K208 WeakPolarHBondContact OD2-CD 3.5Å; D206-K208 VanDerWaalsContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CE 3.3Å; D206-K208 IonicContact OD2-NZ 3.41Å; D206-K208 PolarHBondContact OD2-NZ 2.77Å; K208-A224 WeakPolarHBondContact O-CB 3.42Å; K208-A224 PolarHBondContact O-N 3.36Å; K208-F225 HydrophobicContact CB-CE2 4.48Å; K208-F225 HydrophobicContact CG-CE2 4.24Å |
| 209 | A | 98.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F203 S204 V222 L230 F248 | F203-A209 CarbonylContact C-O 3.54Å; F203-A209 WeakPolarHBondContact CA-O 3.21Å; S204-A209 PolarHBondContact N-O 3.45Å; S204-A209 PolarHBondContact OG-N 3.12Å; S204-A209 PolarHBondContact OG-O 2.87Å; A209-V222 CarbonylContact C-O 3.59Å; A209-V222 WeakPolarHBondContact CA-O 3.41Å; A209-L230 HydrophobicContact CB-CD1 4.25Å; A209-F248 HydrophobicContact CB-CZ 4.13Å |
| 210 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.8 | 166.4 | -79.3 | 167.4 | 0 | 0 | 0 | 108.7 | A163 V171 F187 L201 Q202 F203 L221 V222 A224 | A163-L210 HydrophobicContact CB-CD2 4.13Å; V171-L210 HydrophobicContact CG1-CD1 4.08Å; F187-L210 HydrophobicContact CD2-CD1 4.41Å; F187-L210 HydrophobicContact CE2-CD1 4.31Å; L201-L210 HydrophobicContact CD1-CD2 4.15Å; L201-L210 HydrophobicContact CG-CD2 4.47Å; Q202-L210 CarbonylContact O-C 3.56Å; Q202-L210 WeakPolarHBondContact O-CA 3.34Å; F203-L210 HydrophobicContact CD1-CD2 3.69Å; F203-L210 HydrophobicContact CD1-CG 4.14Å; F203-L210 HydrophobicContact CD2-CD2 3.62Å; F203-L210 HydrophobicContact CE1-CD1 4.48Å; F203-L210 HydrophobicContact CE1-CD2 3.68Å; F203-L210 HydrophobicContact CE1-CG 4.03Å; F203-L210 HydrophobicContact CE2-CD2 3.63Å; F203-L210 HydrophobicContact CG-CD2 3.68Å; F203-L210 HydrophobicContact CZ-CD2 3.67Å; F203-L210 HydrophobicContact CZ-CG 4.37Å; L210-L221 WeakPolarHBondContact O-CA 3.3Å; L210-V222 HydrophobicContact CB-CB 4.29Å; L210-V222 PolarHBondContact N-O 2.86Å; L210-V222 PolarHBondContact O-N 3.45Å; L210-A224 HydrophobicContact CD1-CB 4.46Å; L210-A224 HydrophobicContact CG-CB 4.08Å |
| 211 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.7 | 170.5 | 175.7 | 61.8 | 0 | 0 | 0 | 109.5 | L201 Q202 I219 L221 A246 F248 V255 | L201-L211 CarbonylContact C-O 3.42Å; L201-L211 WeakPolarHBondContact CA-O 3.44Å; Q202-L211 HydrophobicContact CB-CB 4.47Å; Q202-L211 PolarHBondContact N-O 3.15Å; Q202-L211 PolarHBondContact O-N 3.45Å; L211-I219 HydrophobicContact CD1-CD1 4.11Å; L211-I219 HydrophobicContact CD1-CG1 4.44Å; L211-L221 HydrophobicContact CB-CD2 4.12Å; L211-L221 HydrophobicContact CD1-CD2 3.95Å; L211-L221 HydrophobicContact CD1-CG 4.49Å; L211-A246 HydrophobicContact CD2-CB 3.8Å; L211-A246 HydrophobicContact CG-CB 4.42Å; L211-F248 HydrophobicContact CB-CD2 4.15Å; L211-F248 HydrophobicContact CB-CE2 3.28Å; L211-F248 HydrophobicContact CB-CZ 3.55Å; L211-F248 HydrophobicContact CD2-CD2 4.16Å; L211-F248 HydrophobicContact CD2-CE2 4.08Å; L211-F248 HydrophobicContact CD2-CZ 4.49Å; L211-F248 HydrophobicContact CG-CE2 4.32Å; L211-V255 HydrophobicContact CD1-CG1 3.89Å; L211-V255 HydrophobicContact CD1-CG2 4.31Å; L211-V255 HydrophobicContact CD2-CG1 3.95Å; L211-V255 HydrophobicContact CD2-CG2 4.32Å |
| 212 | I | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.5 | 176 | -58 | 172.5 | 0 | 0 | 0 | 107.6 | V171 L189 W198 L201 I219 R220 V222 | V171-I212 HydrophobicContact CG2-CD1 3.82Å; L189-I212 HydrophobicContact CD1-CD1 3.14Å; W198-I212 HydrophobicContact CB-CG2 4.21Å; W198-I212 HydrophobicContact CD2-CG2 3.41Å; W198-I212 VanDerWaalsContact CD2-CG2 3.41Å; W198-I212 HydrophobicContact CE3-CG2 3.95Å; W198-I212 HydrophobicContact CG-CG2 3.52Å; W198-I212 HydrophobicContact CH2-CD1 4.03Å; W198-I212 HydrophobicContact CZ2-CD1 4.14Å; W198-I212 HydrophobicContact CZ2-CG2 4.27Å; W198-I212 HydrophobicContact CZ3-CD1 4.29Å; L201-I212 HydrophobicContact CD1-CG1 3.69Å; I212-I219 WeakPolarHBondContact O-CA 3.38Å; I212-I219 WeakPolarHBondContact O-CB 3.47Å; I212-R220 HydrophobicContact CB-CB 4.27Å; I212-R220 PolarHBondContact N-O 2.85Å; I212-R220 PolarHBondContact O-N 2.75Å; I212-V222 HydrophobicContact CD1-CG2 4Å |
| 213 | T | 96.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.4 | 175.3 | -47.9 | 0 | 0 | 0 | 0 | 109 | W198 T199 G200 I219 L244 A246 I257 | W198-T213 CarbonylContact C-O 3.54Å; W198-T213 WeakPolarHBondContact CA-O 3.5Å; T199-T213 PolarHBondContact N-O 3.21Å; T199-T213 WeakPolarHBondContact OG1-CG2 3.28Å; T199-T213 PolarHBondContact OG1-O 3.47Å; G200-T213 PolarHBondContact N-O 3.29Å; G200-T213 PolarHBondContact O-N 3.08Å; T213-I219 HydrophobicContact CG2-CG2 4Å; T213-L244 WeakPolarHBondContact CG2-O 3.23Å; T213-A246 HydrophobicContact CG2-CB 4.08Å; T213-A246 WeakPolarHBondContact OG1-CB 3.41Å; T213-I257 HydrophobicContact CG2-CD1 4.06Å |
| 214 | T | 95.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 163.5 | 176.9 | 87.3 | 0 | 0 | 0 | 0 | 110.4 | I197 G216 H218 | I197-T214 CarbonylContact O-C 3.55Å; I197-T214 VanDerWaalsContact O-CA 3.23Å; I197-T214 WeakPolarHBondContact O-CA 2.95Å; I197-T214 WeakPolarHBondContact O-CB 3.37Å; T214-G216 PolarHBondContact OG1-N 2.95Å; T214-H218 WeakPolarHBondContact CG2-O 3.48Å; T214-H218 PolarHBondContact OG1-O 3.48Å |
| 215 | N | 93.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -83.8 | 6.1 | 167.3 | 75.6 | -21.1 | 0 | 0 | 0 | 112.9 | C196 I197 T199 N238 R241 | C196-N215 WeakPolarHBondContact CA-OD1 3.2Å; I197-N215 HydrophobicContact CG1-CB 4.27Å; I197-N215 VanDerWaalsContact CG1-CG 3.44Å; I197-N215 WeakPolarHBondContact CG1-ND2 3.32Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.35Å; I197-N215 PolarHBondContact N-OD1 2.87Å; I197-N215 PolarHBondContact O-N 3.2Å; I197-N215 PolarHBondContact O-OD1 3.05Å; T199-N215 HydrophobicContact CG2-CB 3.76Å; N215-N238 PolarHBondContact O-ND2 3.01Å; N215-R241 HydrophobicContact CB-CB 4.47Å; N215-R241 WeakPolarHBondContact CB-O 3.42Å; N215-R241 PolarHBondContact ND2-O 3.33Å; N215-R241 CarbonylContact O-C 3.57Å; N215-R241 WeakPolarHBondContact O-CA 3.39Å |
| 216 | G | 93.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -85.2 | -157.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C196 T214 N238 | C196-G216 VanDerWaalsContact SG-CA 3.56Å; T214-G216 PolarHBondContact OG1-N 2.95Å; G216-N238 PolarHBondContact O-ND2 2.97Å |
| 217 | T | 92.7 | Very high | 96.7 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -95.1 | 11.3 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | T234 V235 I236 N238 | T217-T234 CarbonylContact O-C 3.59Å; T217-T234 WeakPolarHBondContact O-CA 3.02Å; T217-V235 CarbonylContact C-O 3.59Å; T217-V235 WeakPolarHBondContact CA-O 3.38Å; T217-V235 WeakPolarHBondContact CB-O 3.32Å; T217-V235 PolarHBondContact O-N 2.86Å; T217-I236 HydrophobicContact CG2-CG1 4.11Å; T217-N238 HydrophobicContact CG2-CB 4.47Å |
| 218 | H | 92.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 28% | 0.282 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.6 | -178.6 | -55.1 | -77.1 | 0 | 0 | 0 | 111 | T214 T232 L233 T234 | T214-H218 WeakPolarHBondContact CG2-O 3.48Å; T214-H218 PolarHBondContact OG1-O 3.48Å; H218-T232 HydrophobicContact CB-CG2 3.81Å; H218-L233 CarbonylContact C-O 3.55Å; H218-L233 VanDerWaalsContact CA-O 3.25Å; H218-L233 WeakPolarHBondContact CA-O 3.12Å; H218-T234 PolarHBondContact CE1-OG1 3.25Å; H218-T234 VanDerWaalsContact CE1-OG1 3.24Å; H218-T234 PolarHBondContact ND1-OG1 2.87Å |
| 219 | I | 95.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156 | 166.3 | 63.3 | -177 | 0 | 0 | 0 | 108.5 | L211 I212 T213 L233 V235 A246 V255 I257 W267 | L211-I219 HydrophobicContact CD1-CD1 4.11Å; L211-I219 HydrophobicContact CD1-CG1 4.44Å; I212-I219 WeakPolarHBondContact O-CA 3.38Å; I212-I219 WeakPolarHBondContact O-CB 3.47Å; T213-I219 HydrophobicContact CG2-CG2 4Å; I219-L233 HydrophobicContact CD1-CB 4.27Å; I219-L233 HydrophobicContact CD1-CD1 4.08Å; I219-L233 HydrophobicContact CG1-CB 3.69Å; I219-L233 HydrophobicContact CG1-CD1 4.09Å; I219-L233 HydrophobicContact CG1-CG 4.24Å; I219-L233 PolarHBondContact N-O 2.95Å; I219-L233 PolarHBondContact O-N 3.18Å; I219-V235 HydrophobicContact CD1-CG2 4.4Å; I219-V235 HydrophobicContact CG1-CG2 4.33Å; I219-V235 HydrophobicContact CG2-CG2 4.21Å; I219-A246 HydrophobicContact CD1-CB 4.04Å; I219-V255 HydrophobicContact CD1-CG1 3.83Å; I219-I257 HydrophobicContact CD1-CB 4.38Å; I219-I257 HydrophobicContact CD1-CD1 4.33Å; I219-I257 HydrophobicContact CD1-CG2 4.47Å; I219-I257 HydrophobicContact CG2-CD1 3.81Å; I219-W267 HydrophobicContact CD1-CZ3 4.38Å |
| 220 | R | 96.4 | Very high | 96.5 | Very high | 40 Ų | 40 | 35.9 Ų | 35.9 | 15% | 0.151 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.6 | -175.1 | -56.6 | -177.7 | -176.7 | -145.8 | 3.4 | 111.1 | L189 E192 I212 V222 | L189-R220 PolarHBondContact O-NH1 3Å; E192-R220 VanDerWaalsContact CD-NH2 3.28Å; E192-R220 IonicContact OE1-CZ 3.52Å; E192-R220 IonicContact OE1-NE 3.42Å; E192-R220 PolarHBondContact OE1-NE 2.5Å; E192-R220 IonicContact OE1-NH2 2.78Å; E192-R220 PolarHBondContact OE1-NH2 2.78Å; E192-R220 IonicContact OE2-CZ 3.36Å; E192-R220 IonicContact OE2-NE 2.78Å; E192-R220 PolarHBondContact OE2-NE 3.5Å; E192-R220 IonicContact OE2-NH2 3.86Å; E192-R220 PolarHBondContact OE2-NH2 2.89Å; I212-R220 HydrophobicContact CB-CB 4.27Å; I212-R220 PolarHBondContact N-O 2.85Å; I212-R220 PolarHBondContact O-N 2.75Å; R220-V222 HydrophobicContact CB-CG2 4.43Å |
| 221 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132 | 162.6 | -74.5 | 174.4 | 0 | 0 | 0 | 109.1 | L210 L211 L230 H231 L233 F248 V255 V269 | L210-L221 WeakPolarHBondContact O-CA 3.3Å; L211-L221 HydrophobicContact CB-CD2 4.12Å; L211-L221 HydrophobicContact CD1-CD2 3.95Å; L211-L221 HydrophobicContact CD1-CG 4.49Å; L221-L230 HydrophobicContact CB-CB 4.12Å; L221-L230 WeakPolarHBondContact O-CB 3.22Å; L221-L230 PolarHBondContact O-N 3.35Å; L221-H231 HydrophobicContact CB-CB 4.21Å; L221-H231 HydrophobicContact CD1-CB 4.34Å; L221-H231 PolarHBondContact N-O 2.94Å; L221-H231 PolarHBondContact O-N 3.23Å; L221-L233 HydrophobicContact CD1-CD1 3.96Å; L221-L233 HydrophobicContact CG-CD1 4.22Å; L221-F248 HydrophobicContact CD2-CE1 3.78Å; L221-F248 HydrophobicContact CD2-CZ 3.59Å; L221-V255 HydrophobicContact CD1-CG2 4.15Å; L221-V255 HydrophobicContact CD2-CG2 3.94Å; L221-V255 HydrophobicContact CG-CG2 4.43Å; L221-V269 HydrophobicContact CD1-CG1 4.41Å; L221-V269 HydrophobicContact CD1-CG2 4.47Å |
| 222 | V | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.8 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | L189 A209 L210 I212 R220 A224 S228 | L189-V222 HydrophobicContact CD1-CG2 3.81Å; L189-V222 HydrophobicContact CD2-CG1 3.89Å; L189-V222 HydrophobicContact CD2-CG2 3.98Å; A209-V222 CarbonylContact C-O 3.59Å; A209-V222 WeakPolarHBondContact CA-O 3.41Å; L210-V222 HydrophobicContact CB-CB 4.29Å; L210-V222 PolarHBondContact N-O 2.86Å; L210-V222 PolarHBondContact O-N 3.45Å; I212-V222 HydrophobicContact CD1-CG2 4Å; R220-V222 HydrophobicContact CB-CG2 4.43Å; V222-A224 PolarHBondContact O-N 2.84Å; V222-S228 WeakPolarHBondContact CA-O 3.17Å |
| 223 | D | 98.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122 | 172.5 | -175.8 | -59 | 0 | 0 | 0 | 109 | F225 K226 G227 S228 L230 | D223-F225 PolarHBondContact O-N 2.89Å; D223-F225 WeakPolarHBondContact OD1-CA 3.13Å; D223-F225 WeakPolarHBondContact OD1-CB 3.45Å; D223-F225 PolarHBondContact OD1-N 3.21Å; D223-K226 HydrophobicContact CB-CB 4.3Å; D223-K226 PolarHBondContact OD1-N 3.43Å; D223-G227 VanDerWaalsContact O-CA 3.27Å; D223-G227 WeakPolarHBondContact O-CA 3.5Å; D223-G227 PolarHBondContact O-N 3.18Å; D223-S228 VanDerWaalsContact CB-OG 3.32Å; D223-S228 WeakPolarHBondContact CB-OG 3.4Å; D223-S228 PolarHBondContact N-O 2.98Å; D223-L230 HydrophobicContact CB-CD1 4.44Å; D223-L230 HydrophobicContact CB-CD2 4.13Å; D223-L230 HydrophobicContact CB-CG 4.27Å |
| 224 | A | 98.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F187 F203 G207 K208 L210 V222 | F187-A224 WeakPolarHBondContact CE2-O 3.09Å; F203-A224 HydrophobicContact CD1-CB 4.03Å; F203-A224 HydrophobicContact CE1-CB 3.91Å; G207-A224 VanDerWaalsContact O-CB 3.26Å; G207-A224 WeakPolarHBondContact O-CB 3.42Å; K208-A224 WeakPolarHBondContact O-CB 3.42Å; K208-A224 PolarHBondContact O-N 3.36Å; L210-A224 HydrophobicContact CD1-CB 4.46Å; L210-A224 HydrophobicContact CG-CB 4.08Å; V222-A224 PolarHBondContact O-N 2.84Å |
| 225 | F | 97.5 | Very high | 95.8 | Very high | 155 Ų | 155 | 43.2 Ų | 43.2 | 68% | 0.68 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -42.4 | -178.5 | -63.7 | -81.4 | 0 | 0 | 0 | 112.2 | K208 D223 | K208-F225 HydrophobicContact CB-CE2 4.48Å; K208-F225 HydrophobicContact CG-CE2 4.24Å; D223-F225 PolarHBondContact O-N 2.89Å; D223-F225 WeakPolarHBondContact OD1-CA 3.13Å; D223-F225 WeakPolarHBondContact OD1-CB 3.45Å; D223-F225 PolarHBondContact OD1-N 3.21Å |
| 226 | K | 96.9 | Very high | 95.3 | Very high | 161 Ų | 161 | 46.9 Ų | 46.9 | 70% | 0.7 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -20.9 | -173.2 | -63.2 | 176.4 | -176.2 | 169.6 | 0 | 113.3 | D223 S228 | D223-K226 HydrophobicContact CB-CB 4.3Å; D223-K226 PolarHBondContact OD1-N 3.43Å; K226-S228 PolarHBondContact O-N 3.47Å |
| 227 | G | 96.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | trans | 70.6 | 9.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F187 D223 | F187-G227 VanDerWaalsContact CD1-CA 3.46Å; D223-G227 VanDerWaalsContact O-CA 3.27Å; D223-G227 WeakPolarHBondContact O-CA 3.5Å; D223-G227 PolarHBondContact O-N 3.18Å | ||
| 228 | S | 96.8 | Very high | 95 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -71.9 | 138.4 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | V222 D223 K226 L230 | V222-S228 WeakPolarHBondContact CA-O 3.17Å; D223-S228 VanDerWaalsContact CB-OG 3.32Å; D223-S228 WeakPolarHBondContact CB-OG 3.4Å; D223-S228 PolarHBondContact N-O 2.98Å; K226-S228 PolarHBondContact O-N 3.47Å; S228-L230 PolarHBondContact O-N 3.37Å | ||
| 229 | H | 96.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 129.7 | 170.8 | 174.9 | -95.7 | 0 | 0 | 0 | 110.1 | H231 T232 | H229-H231 VanDerWaalsContact CE1-C 3.47Å; H229-H231 PolarHBondContact NE2-O 3.32Å; H229-T232 PolarHBondContact NE2-N 2.92Å; H229-T232 PolarHBondContact NE2-OG1 2.59Å |
| 230 | L | 97.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -60.7 | 172.8 | -62.4 | 174.9 | 0 | 0 | 0 | 109.1 | A209 L221 D223 S228 | A209-L230 HydrophobicContact CB-CD1 4.25Å; L221-L230 HydrophobicContact CB-CB 4.12Å; L221-L230 WeakPolarHBondContact O-CB 3.22Å; L221-L230 PolarHBondContact O-N 3.35Å; D223-L230 HydrophobicContact CB-CD1 4.44Å; D223-L230 HydrophobicContact CB-CD2 4.13Å; D223-L230 HydrophobicContact CB-CG 4.27Å; S228-L230 PolarHBondContact O-N 3.37Å |
| 231 | H | 97.8 | Very high | 94 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.9 | -174.2 | -57.2 | -65 | 0 | 0 | 0 | 111.9 | L221 H229 L233 V269 E270 T271 G272 | L221-H231 HydrophobicContact CB-CB 4.21Å; L221-H231 HydrophobicContact CD1-CB 4.34Å; L221-H231 PolarHBondContact N-O 2.94Å; L221-H231 PolarHBondContact O-N 3.23Å; H229-H231 VanDerWaalsContact CE1-C 3.47Å; H229-H231 PolarHBondContact NE2-O 3.32Å; H231-L233 HydrophobicContact CB-CD2 3.78Å; H231-V269 PolarHBondContact CD2-O 3.02Å; H231-V269 VanDerWaalsContact CD2-O 3.23Å; H231-V269 PolarHBondContact NE2-O 2.82Å; H231-E270 PolarHBondContact NE2-O 3.22Å; H231-T271 PolarHBondContact CE1-O 2.88Å; H231-G272 PolarHBondContact CE1-N 3.13Å; H231-G272 VanDerWaalsContact CG-CA 3.49Å; H231-G272 WeakPolarHBondContact ND1-CA 3.45Å; H231-G272 PolarHBondContact NE2-N 3.02Å |
| 232 | T | 96.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.2 | 164.7 | -63.7 | 0 | 0 | 0 | 0 | 107.5 | H218 H229 | H218-T232 HydrophobicContact CB-CG2 3.81Å; H229-T232 PolarHBondContact NE2-N 2.92Å; H229-T232 PolarHBondContact NE2-OG1 2.59Å |
| 233 | L | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.9 | -176.5 | -44.2 | 176.4 | 0 | 0 | 0 | 109.1 | H218 I219 L221 H231 V255 W267 | H218-L233 CarbonylContact C-O 3.55Å; H218-L233 VanDerWaalsContact CA-O 3.25Å; H218-L233 WeakPolarHBondContact CA-O 3.12Å; I219-L233 HydrophobicContact CD1-CB 4.27Å; I219-L233 HydrophobicContact CD1-CD1 4.08Å; I219-L233 HydrophobicContact CG1-CB 3.69Å; I219-L233 HydrophobicContact CG1-CD1 4.09Å; I219-L233 HydrophobicContact CG1-CG 4.24Å; I219-L233 PolarHBondContact N-O 2.95Å; I219-L233 PolarHBondContact O-N 3.18Å; L221-L233 HydrophobicContact CD1-CD1 3.96Å; L221-L233 HydrophobicContact CG-CD1 4.22Å; H231-L233 HydrophobicContact CB-CD2 3.78Å; L233-V255 HydrophobicContact CD1-CB 4.13Å; L233-V255 HydrophobicContact CD1-CG1 4.01Å; L233-W267 HydrophobicContact CB-CD2 3.99Å; L233-W267 HydrophobicContact CB-CE3 4.43Å; L233-W267 HydrophobicContact CB-CG 4.24Å; L233-W267 HydrophobicContact CB-CZ2 4.3Å; L233-W267 HydrophobicContact CD1-CB 3.97Å; L233-W267 HydrophobicContact CD1-CD2 4.01Å; L233-W267 HydrophobicContact CD1-CE3 4.09Å; L233-W267 HydrophobicContact CD1-CG 3.97Å; L233-W267 HydrophobicContact CD2-CB 4.04Å; L233-W267 HydrophobicContact CD2-CD2 4.49Å; L233-W267 HydrophobicContact CD2-CG 3.87Å; L233-W267 HydrophobicContact CG-CD2 4.39Å; L233-W267 HydrophobicContact CG-CG 4.24Å |
| 234 | T | 94.7 | Very high | 93.3 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.3 | -173.5 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | T217 H218 I236 W267 R274 | T217-T234 CarbonylContact O-C 3.59Å; T217-T234 WeakPolarHBondContact O-CA 3.02Å; H218-T234 PolarHBondContact CE1-OG1 3.25Å; H218-T234 VanDerWaalsContact CE1-OG1 3.24Å; H218-T234 PolarHBondContact ND1-OG1 2.87Å; T234-I236 HydrophobicContact CG2-CD1 3.37Å; T234-I236 HydrophobicContact CG2-CG1 3.62Å; T234-W267 VanDerWaalsContact O-CZ2 3.28Å; T234-W267 WeakPolarHBondContact O-CZ2 3.43Å; T234-R274 PolarHBondContact O-NH2 2.81Å |
| 235 | V | 88 | Confident | 93.2 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | trans | -113.8 | 100.5 | 179.6 | -167 | 0 | 0 | 0 | 0 | 108.1 | T217 I219 L244 I257 W267 | T217-V235 CarbonylContact C-O 3.59Å; T217-V235 WeakPolarHBondContact CA-O 3.38Å; T217-V235 WeakPolarHBondContact CB-O 3.32Å; T217-V235 PolarHBondContact O-N 2.86Å; I219-V235 HydrophobicContact CD1-CG2 4.4Å; I219-V235 HydrophobicContact CG1-CG2 4.33Å; I219-V235 HydrophobicContact CG2-CG2 4.21Å; V235-L244 HydrophobicContact CG1-CD1 4.2Å; V235-I257 HydrophobicContact CB-CG2 4.34Å; V235-I257 HydrophobicContact CG1-CD1 4.29Å; V235-I257 HydrophobicContact CG1-CG2 3.73Å; V235-I257 HydrophobicContact CG2-CD1 4.03Å; V235-I257 HydrophobicContact CG2-CG2 3.66Å; V235-W267 HydrophobicContact CG2-CH2 3.97Å | ||
| 236 | I | 83.2 | Confident | 93.2 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | trans | -131 | 136.2 | -178.4 | -65.1 | 172.5 | 0 | 0 | 0 | 107.3 | T217 T234 | T217-I236 HydrophobicContact CG2-CG1 4.11Å; T234-I236 HydrophobicContact CG2-CD1 3.37Å; T234-I236 HydrophobicContact CG2-CG1 3.62Å | ||
| 237 | P | 87.6 | Confident | 93.2 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | cis | -87.3 | 146.5 | 4.1 | 34.3 | -32.3 | 0 | 0 | 0 | 113.6 | P260 D261 | P237-P260 WeakPolarHBondContact O-CD 3.48Å; P237-P260 WeakPolarHBondContact O-CG 3.49Å; P237-D261 VanDerWaalsContact CD-OD2 3.24Å; P237-D261 WeakPolarHBondContact CD-OD2 3.26Å; P237-D261 HydrophobicContact CG-CB 3.82Å | ||
| 238 | N | 91 | Very high | 93.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | trans | -151.4 | 48.5 | 163.1 | -167.2 | 23.6 | 0 | 0 | 0 | 111.2 | N215 G216 T217 D240 R241 Q242 L244 P260 | N215-N238 PolarHBondContact O-ND2 3.01Å; G216-N238 PolarHBondContact O-ND2 2.97Å; T217-N238 HydrophobicContact CG2-CB 4.47Å; N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.9Å; N238-R241 PolarHBondContact O-N 2.9Å; N238-Q242 PolarHBondContact ND2-O 3.35Å; N238-Q242 WeakPolarHBondContact OD1-CB 3.11Å; N238-Q242 PolarHBondContact OD1-N 3.07Å; N238-L244 HydrophobicContact CB-CD1 4.39Å; N238-L244 WeakPolarHBondContact ND2-CD1 3.4Å; N238-P260 HydrophobicContact CB-CG 4.18Å; N238-P260 WeakPolarHBondContact OD1-CG 3.2Å | ||
| 239 | T | 85.7 | Confident | 93.4 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 69% | 0.693 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.7 | -175.2 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | R241 | T239-R241 PolarHBondContact O-N 3.42Š|
| 240 | D | 88.3 | Confident | 93.3 | Very high | 128 Ų | 128 | 44.3 Ų | 44.3 | 68% | 0.684 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 3.9 | -179.6 | -56.8 | -27.4 | 0 | 0 | 0 | 113.1 | N238 Q242 | N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.9Å; D240-Q242 VanDerWaalsContact C-N 3.32Å; D240-Q242 HydrophobicContact CB-CG 4.26Å; D240-Q242 PolarHBondContact O-N 3.2Å |
| 241 | R | 91.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 43 Ų | 43 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | trans | 55.8 | 44.3 | 176.9 | -58 | 175.2 | -178.9 | -101 | 4 | 114 | S194 C196 N215 N238 T239 | S194-R241 VanDerWaalsContact CB-NH2 3.35Å; S194-R241 PolarHBondContact O-NH1 2.79Å; S194-R241 PolarHBondContact O-NH2 3.04Å; C196-R241 PolarHBondContact SG-NH1 2.79Å; N215-R241 HydrophobicContact CB-CB 4.47Å; N215-R241 WeakPolarHBondContact CB-O 3.42Å; N215-R241 PolarHBondContact ND2-O 3.33Å; N215-R241 CarbonylContact O-C 3.57Å; N215-R241 WeakPolarHBondContact O-CA 3.39Å; N238-R241 PolarHBondContact O-N 2.9Å; T239-R241 PolarHBondContact O-N 3.42Å | ||
| 242 | Q | 91.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | trans | -66.8 | 142.7 | 178.5 | -56.1 | -173.6 | 24.4 | 0 | 0 | 109.6 | N238 D240 L244 H293 | N238-Q242 PolarHBondContact ND2-O 3.35Å; N238-Q242 WeakPolarHBondContact OD1-CB 3.11Å; N238-Q242 PolarHBondContact OD1-N 3.07Å; D240-Q242 VanDerWaalsContact C-N 3.32Å; D240-Q242 HydrophobicContact CB-CG 4.26Å; D240-Q242 PolarHBondContact O-N 3.2Å; Q242-L244 PolarHBondContact O-N 2.99Å; Q242-H293 PolarHBondContact OE1-CD2 3.21Å; Q242-H293 PolarHBondContact OE1-NE2 3.28Å | ||
| 243 | T | 93.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | trans | -68.1 | 117.3 | 171.5 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | R23 T199 | R23-T243 PolarHBondContact NH2-O 3.25Å; T199-T243 HydrophobicContact CG2-CG2 3.79Å | ||
| 244 | L | 94.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -113.6 | 154.5 | 175.9 | -56 | 176.5 | 0 | 0 | 0 | 109.8 | T199 T213 V235 N238 Q242 I257 H293 | T199-L244 PolarHBondContact OG1-O 3Å; T213-L244 WeakPolarHBondContact CG2-O 3.23Å; V235-L244 HydrophobicContact CG1-CD1 4.2Å; N238-L244 HydrophobicContact CB-CD1 4.39Å; N238-L244 WeakPolarHBondContact ND2-CD1 3.4Å; Q242-L244 PolarHBondContact O-N 2.99Å; L244-I257 HydrophobicContact CB-CD1 3.89Å; L244-I257 HydrophobicContact CB-CG1 4.31Å; L244-I257 HydrophobicContact CD1-CD1 4.15Å; L244-H293 WeakPolarHBondContact CA-O 3.38Å | ||
| 245 | H | 95.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.222 | 21% | 0.21 | C | C | . | . | trans | -119.7 | 122 | 173.8 | -64.6 | -102.2 | 0 | 0 | 0 | 109.6 | H293 | H245-H293 PolarHBondContact N-O 2.85Š| ||
| 246 | A | 97.5 | Very high | 94.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 157.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L211 T213 I219 L256 I257 | L211-A246 HydrophobicContact CD2-CB 3.8Å; L211-A246 HydrophobicContact CG-CB 4.42Å; T213-A246 HydrophobicContact CG2-CB 4.08Å; T213-A246 WeakPolarHBondContact OG1-CB 3.41Å; I219-A246 HydrophobicContact CD1-CB 4.04Å; A246-L256 CarbonylContact C-O 3.51Å; A246-L256 WeakPolarHBondContact CA-O 3.22Å; A246-L256 WeakPolarHBondContact CB-O 3.33Å; A246-I257 HydrophobicContact CB-CB 3.91Å; A246-I257 HydrophobicContact CB-CD1 4Å; A246-I257 HydrophobicContact CB-CG1 3.78Å |
| 247 | S | 97.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.3 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | L256 | S247-L256 PolarHBondContact N-O 3.21Å; S247-L256 PolarHBondContact O-N 2.87Å |
| 248 | F | 98.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 159 | 160.6 | -70.6 | -78.9 | 0 | 0 | 0 | 111.8 | Q202 A209 L211 L221 F254 V255 V269 | Q202-F248 HydrophobicContact CG-CD2 4.39Å; A209-F248 HydrophobicContact CB-CZ 4.13Å; L211-F248 HydrophobicContact CB-CD2 4.15Å; L211-F248 HydrophobicContact CB-CE2 3.28Å; L211-F248 HydrophobicContact CB-CZ 3.55Å; L211-F248 HydrophobicContact CD2-CD2 4.16Å; L211-F248 HydrophobicContact CD2-CE2 4.08Å; L211-F248 HydrophobicContact CD2-CZ 4.49Å; L211-F248 HydrophobicContact CG-CE2 4.32Å; L221-F248 HydrophobicContact CD2-CE1 3.78Å; L221-F248 HydrophobicContact CD2-CZ 3.59Å; F248-F254 CarbonylContact C-O 3.57Å; F248-F254 VanDerWaalsContact CA-O 3.32Å; F248-F254 WeakPolarHBondContact CA-O 3.29Å; F248-V255 HydrophobicContact CD1-CG2 3.54Å; F248-V255 HydrophobicContact CE1-CG2 3.43Å; F248-V255 VanDerWaalsContact CE1-CG2 3.43Å; F248-V255 HydrophobicContact CG-CG2 4.4Å; F248-V255 HydrophobicContact CZ-CG2 4.23Å; F248-V269 HydrophobicContact CD1-CG2 3.89Å; F248-V269 HydrophobicContact CE1-CG1 4.43Å; F248-V269 HydrophobicContact CE1-CG2 3.71Å |
| 249 | T | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -71.2 | 153.2 | 154 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | L3 I8 D251 S252 Q253 F254 L256 F297 | L3-T249 HydrophobicContact CD1-CG2 3.54Å; I8-T249 HydrophobicContact CD1-CG2 4.42Å; T249-D251 VanDerWaalsContact CB-OD1 3.25Å; T249-D251 WeakPolarHBondContact CB-OD1 3.2Å; T249-D251 PolarHBondContact O-N 3.45Å; T249-D251 VanDerWaalsContact O-N 3.11Å; T249-D251 PolarHBondContact OG1-OD1 3.11Å; T249-S252 WeakPolarHBondContact O-CA 3.25Å; T249-S252 PolarHBondContact O-N 2.81Å; T249-Q253 PolarHBondContact OG1-N 3.4Å; T249-F254 HydrophobicContact CG2-CB 3.8Å; T249-F254 HydrophobicContact CG2-CD2 4.09Å; T249-F254 HydrophobicContact CG2-CG 4.45Å; T249-F254 PolarHBondContact N-O 3.2Å; T249-F254 PolarHBondContact OG1-N 2.84Å; T249-F254 PolarHBondContact OG1-O 3.09Å; T249-L256 HydrophobicContact CG2-CD1 3.58Å; T249-F297 HydrophobicContact CG2-CD2 3.9Å; T249-F297 HydrophobicContact CG2-CE2 3.86Å; T249-F297 HydrophobicContact CG2-CG 4.4Å; T249-F297 HydrophobicContact CG2-CZ 4.33Å | ||
| 250 | P | 96.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.8 | -177.1 | -22.9 | 31 | 0 | 0 | 0 | 114.7 | S205 S252 F297 N298 | S205-P250 VanDerWaalsContact CB-O 3.32Å; S205-P250 WeakPolarHBondContact CB-O 3.5Å; S205-P250 PolarHBondContact OG-O 3.01Å; P250-S252 VanDerWaalsContact C-N 3.32Å; P250-F297 HydrophobicContact CG-CD1 3.7Å; P250-F297 HydrophobicContact CG-CE1 4.26Å; P250-N298 WeakPolarHBondContact CG-O 3.33Å |
| 251 | D | 96.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 24.4 Ų | 24.4 | 20% | 0.198 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.4 | 176.2 | 66.1 | -9.6 | 0 | 0 | 0 | 113.3 | K2 L3 T249 Q253 | K2-D251 WeakPolarHBondContact CA-OD2 3.19Å; L3-D251 PolarHBondContact N-OD2 3.25Å; T249-D251 VanDerWaalsContact CB-OD1 3.25Å; T249-D251 WeakPolarHBondContact CB-OD1 3.2Å; T249-D251 PolarHBondContact O-N 3.45Å; T249-D251 VanDerWaalsContact O-N 3.11Å; T249-D251 PolarHBondContact OG1-OD1 3.11Å; D251-Q253 HydrophobicContact CB-CG 4.27Å; D251-Q253 VanDerWaalsContact CG-CG 3.47Å; D251-Q253 PolarHBondContact O-N 3.05Å; D251-Q253 VanDerWaalsContact O-N 3.14Å; D251-Q253 PolarHBondContact OD1-N 3.03Å; D251-Q253 WeakPolarHBondContact OD2-CG 3.41Å |
| 252 | S | 97.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 6% | 0.063 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 60.2 | 16.3 | 179.3 | -53.3 | 0 | 0 | 0 | 0 | 115.3 | S205 D206 T249 P250 V269 | S205-S252 WeakPolarHBondContact CA-OG 3.16Å; S205-S252 WeakPolarHBondContact CB-OG 3.47Å; S205-S252 PolarHBondContact N-OG 2.84Å; D206-S252 PolarHBondContact N-OG 3.08Å; T249-S252 WeakPolarHBondContact O-CA 3.25Å; T249-S252 PolarHBondContact O-N 2.81Å; P250-S252 VanDerWaalsContact C-N 3.32Å; S252-V269 WeakPolarHBondContact O-CB 3.44Å; S252-V269 WeakPolarHBondContact O-CG2 3.46Å |
| 253 | Q | 97.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 19.3 Ų | 19.3 | 30% | 0.304 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -81.3 | -33.1 | -177.9 | -66.8 | -62.7 | -36.7 | 0 | 0 | 112.9 | T249 D251 V269 | T249-Q253 PolarHBondContact OG1-N 3.4Å; D251-Q253 HydrophobicContact CB-CG 4.27Å; D251-Q253 VanDerWaalsContact CG-CG 3.47Å; D251-Q253 PolarHBondContact O-N 3.05Å; D251-Q253 VanDerWaalsContact O-N 3.14Å; D251-Q253 PolarHBondContact OD1-N 3.03Å; D251-Q253 WeakPolarHBondContact OD2-CG 3.41Å; Q253-V269 PolarHBondContact O-N 2.9Å |
| 254 | F | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.8 | -174.8 | -50.8 | -82.2 | 0 | 0 | 0 | 112.5 | L3 D5 I8 F248 T249 I266 W267 V275 | L3-F254 HydrophobicContact CB-CD2 4.15Å; L3-F254 HydrophobicContact CB-CE2 3.77Å; D5-F254 WeakPolarHBondContact OD1-CE1 3.48Å; D5-F254 WeakPolarHBondContact OD1-CZ 3.44Å; I8-F254 HydrophobicContact CB-CD2 4.45Å; I8-F254 HydrophobicContact CB-CE2 4.31Å; I8-F254 HydrophobicContact CB-CZ 4.5Å; I8-F254 HydrophobicContact CG1-CD2 4.24Å; I8-F254 HydrophobicContact CG1-CG 4.34Å; I8-F254 HydrophobicContact CG2-CD1 4.33Å; I8-F254 HydrophobicContact CG2-CE1 4.01Å; I8-F254 HydrophobicContact CG2-CE2 4.27Å; I8-F254 HydrophobicContact CG2-CZ 3.98Å; F248-F254 CarbonylContact C-O 3.57Å; F248-F254 VanDerWaalsContact CA-O 3.32Å; F248-F254 WeakPolarHBondContact CA-O 3.29Å; T249-F254 HydrophobicContact CG2-CB 3.8Å; T249-F254 HydrophobicContact CG2-CD2 4.09Å; T249-F254 HydrophobicContact CG2-CG 4.45Å; T249-F254 PolarHBondContact N-O 3.2Å; T249-F254 PolarHBondContact OG1-N 2.84Å; T249-F254 PolarHBondContact OG1-O 3.09Å; F254-I266 HydrophobicContact CB-CG2 3.82Å; F254-I266 HydrophobicContact CD1-CG2 4.17Å; F254-I266 HydrophobicContact CG-CG2 4.2Å; F254-W267 CarbonylContact C-O 3.53Å; F254-W267 WeakPolarHBondContact CA-O 3.32Å; F254-W267 WeakPolarHBondContact CB-O 3.32Å; F254-V275 HydrophobicContact CD1-CG2 4.16Å; F254-V275 HydrophobicContact CE1-CG1 4.39Å; F254-V275 HydrophobicContact CE1-CG2 3.99Å |
| 255 | V | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135 | 166.9 | 169.7 | 0 | 0 | 0 | 0 | 108 | L211 I219 L221 L233 F248 I266 W267 V269 | L211-V255 HydrophobicContact CD1-CG1 3.89Å; L211-V255 HydrophobicContact CD1-CG2 4.31Å; L211-V255 HydrophobicContact CD2-CG1 3.95Å; L211-V255 HydrophobicContact CD2-CG2 4.32Å; I219-V255 HydrophobicContact CD1-CG1 3.83Å; L221-V255 HydrophobicContact CD1-CG2 4.15Å; L221-V255 HydrophobicContact CD2-CG2 3.94Å; L221-V255 HydrophobicContact CG-CG2 4.43Å; L233-V255 HydrophobicContact CD1-CB 4.13Å; L233-V255 HydrophobicContact CD1-CG1 4.01Å; F248-V255 HydrophobicContact CD1-CG2 3.54Å; F248-V255 HydrophobicContact CE1-CG2 3.43Å; F248-V255 VanDerWaalsContact CE1-CG2 3.43Å; F248-V255 HydrophobicContact CG-CG2 4.4Å; F248-V255 HydrophobicContact CZ-CG2 4.23Å; V255-I266 VanDerWaalsContact O-CA 3.3Å; V255-I266 WeakPolarHBondContact O-CA 3.48Å; V255-W267 PolarHBondContact N-O 3.14Å; V255-W267 PolarHBondContact O-N 3.48Å; V255-V269 HydrophobicContact CG2-CG2 3.78Å |
| 256 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143 | 175.5 | -53 | 91.8 | 0 | 0 | 0 | 109.9 | A246 S247 T249 V264 H265 I266 L295 F297 L304 | A246-L256 CarbonylContact C-O 3.51Å; A246-L256 WeakPolarHBondContact CA-O 3.22Å; A246-L256 WeakPolarHBondContact CB-O 3.33Å; S247-L256 PolarHBondContact N-O 3.21Å; S247-L256 PolarHBondContact O-N 2.87Å; T249-L256 HydrophobicContact CG2-CD1 3.58Å; L256-V264 HydrophobicContact CB-CG1 4.35Å; L256-V264 HydrophobicContact CD2-CG1 4.16Å; L256-H265 VanDerWaalsContact CA-O 3.31Å; L256-H265 WeakPolarHBondContact CA-O 3.39Å; L256-I266 HydrophobicContact CD2-CD1 3.7Å; L256-I266 HydrophobicContact CD2-CG1 3.94Å; L256-I266 HydrophobicContact CG-CD1 4.28Å; L256-I266 HydrophobicContact CG-CG1 4.04Å; L256-I266 HydrophobicContact CG-CG2 4.33Å; L256-L295 HydrophobicContact CB-CD1 4.15Å; L256-L295 HydrophobicContact CB-CD2 3.94Å; L256-F297 HydrophobicContact CD1-CD2 3.96Å; L256-F297 HydrophobicContact CD2-CD2 4.17Å; L256-F297 HydrophobicContact CD2-CE2 4.46Å; L256-L304 HydrophobicContact CD2-CD1 4.2Å; L256-L304 HydrophobicContact CD2-CD2 3.98Å |
| 257 | I | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.8 | 165.9 | -158.3 | 179.3 | 0 | 0 | 0 | 109.8 | T213 I219 V235 L244 A246 V264 H265 W267 | T213-I257 HydrophobicContact CG2-CD1 4.06Å; I219-I257 HydrophobicContact CD1-CB 4.38Å; I219-I257 HydrophobicContact CD1-CD1 4.33Å; I219-I257 HydrophobicContact CD1-CG2 4.47Å; I219-I257 HydrophobicContact CG2-CD1 3.81Å; V235-I257 HydrophobicContact CB-CG2 4.34Å; V235-I257 HydrophobicContact CG1-CD1 4.29Å; V235-I257 HydrophobicContact CG1-CG2 3.73Å; V235-I257 HydrophobicContact CG2-CD1 4.03Å; V235-I257 HydrophobicContact CG2-CG2 3.66Å; L244-I257 HydrophobicContact CB-CD1 3.89Å; L244-I257 HydrophobicContact CB-CG1 4.31Å; L244-I257 HydrophobicContact CD1-CD1 4.15Å; A246-I257 HydrophobicContact CB-CB 3.91Å; A246-I257 HydrophobicContact CB-CD1 4Å; A246-I257 HydrophobicContact CB-CG1 3.78Å; I257-V264 WeakPolarHBondContact O-CA 3.31Å; I257-H265 HydrophobicContact CG2-CB 4.31Å; I257-H265 PolarHBondContact N-O 2.68Å; I257-H265 PolarHBondContact O-N 3.3Å; I257-W267 HydrophobicContact CB-CZ3 4.37Å; I257-W267 HydrophobicContact CG2-CH2 3.58Å; I257-W267 HydrophobicContact CG2-CZ3 3.53Å |
| 258 | G | 95.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 150.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I263 I292 L295 | G258-I263 CarbonylContact C-O 3.57Å; G258-I263 WeakPolarHBondContact CA-O 3.2Å; G258-I292 CarbonylContact C-O 3.52Å; G258-I292 VanDerWaalsContact C-O 3.28Å; G258-L295 VanDerWaalsContact N-CD2 3.34Å |
| 259 | S | 94.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -120.7 | 159.7 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | D261 G262 I263 H265 I292 | S259-D261 WeakPolarHBondContact CB-OD1 3.37Å; S259-D261 PolarHBondContact O-N 3.03Å; S259-D261 PolarHBondContact OG-OD1 3.25Å; S259-G262 PolarHBondContact O-N 3.15Å; S259-I263 PolarHBondContact N-O 3.09Å; S259-I263 PolarHBondContact OG-N 3.43Å; S259-I263 PolarHBondContact OG-O 2.87Å; S259-H265 PolarHBondContact OG-NE2 3Å; S259-I292 PolarHBondContact O-N 2.85Å | ||
| 260 | P | 91.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 22.6 Ų | 22.6 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25 | 171.8 | -31.9 | 35.4 | 0 | 0 | 0 | 116.2 | P237 N238 G262 A291 | P237-P260 WeakPolarHBondContact O-CD 3.48Å; P237-P260 WeakPolarHBondContact O-CG 3.49Å; N238-P260 HydrophobicContact CB-CG 4.18Å; N238-P260 WeakPolarHBondContact OD1-CG 3.2Å; P260-G262 PolarHBondContact O-N 2.84Å; P260-A291 WeakPolarHBondContact O-CA 3.28Å |
| 261 | D | 90.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 24 Ų | 24 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 20.1 | 171.9 | 69.9 | -19.1 | 0 | 0 | 0 | 112.6 | P237 S259 I263 N289 | P237-D261 VanDerWaalsContact CD-OD2 3.24Å; P237-D261 WeakPolarHBondContact CD-OD2 3.26Å; P237-D261 HydrophobicContact CG-CB 3.82Å; S259-D261 WeakPolarHBondContact CB-OD1 3.37Å; S259-D261 PolarHBondContact O-N 3.03Å; S259-D261 PolarHBondContact OG-OD1 3.25Å; D261-I263 PolarHBondContact O-N 3.1Å; D261-I263 WeakPolarHBondContact OD2-CD1 3.11Å; D261-N289 CarbonylContact C-O 3.51Å; D261-N289 WeakPolarHBondContact O-CB 3.39Å |
| 262 | G | 91.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 64.4 | 22.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S259 P260 G280 A290 I292 | S259-G262 PolarHBondContact O-N 3.15Å; P260-G262 PolarHBondContact O-N 2.84Å; G262-G280 WeakPolarHBondContact O-CA 3.47Å; G262-G280 PolarHBondContact O-N 3.3Å; G262-A290 WeakPolarHBondContact CA-O 3.33Å; G262-I292 WeakPolarHBondContact O-CD1 2.99Å |
| 263 | I | 94.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 26.9 Ų | 26.9 | 17% | 0.169 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141 | 176 | -61.3 | -179.2 | 0 | 0 | 0 | 109.5 | G258 S259 D261 | G258-I263 CarbonylContact C-O 3.57Å; G258-I263 WeakPolarHBondContact CA-O 3.2Å; S259-I263 PolarHBondContact N-O 3.09Å; S259-I263 PolarHBondContact OG-N 3.43Å; S259-I263 PolarHBondContact OG-O 2.87Å; D261-I263 PolarHBondContact O-N 3.1Å; D261-I263 WeakPolarHBondContact OD2-CD1 3.11Å |
| 264 | V | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.4 | 163 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | L256 I257 I266 S277 L278 I292 L295 L304 T306 W314 | L256-V264 HydrophobicContact CB-CG1 4.35Å; L256-V264 HydrophobicContact CD2-CG1 4.16Å; I257-V264 WeakPolarHBondContact O-CA 3.31Å; V264-I266 HydrophobicContact CG1-CD1 4.42Å; V264-I266 HydrophobicContact CG1-CG1 4.13Å; V264-S277 WeakPolarHBondContact O-CA 3.39Å; V264-L278 HydrophobicContact CB-CB 4.45Å; V264-L278 PolarHBondContact N-O 3.38Å; V264-L278 PolarHBondContact O-N 3.15Å; V264-I292 HydrophobicContact CG2-CD1 3.78Å; V264-L295 HydrophobicContact CG1-CD2 4.25Å; V264-L304 HydrophobicContact CG1-CD2 4.09Å; V264-L304 HydrophobicContact CG2-CD2 4.46Å; V264-T306 HydrophobicContact CG2-CG2 3.8Å; V264-W314 HydrophobicContact CG2-CH2 3.89Å; V264-W314 HydrophobicContact CG2-CZ2 3.85Å; V264-W314 HydrophobicContact CG2-CZ3 4.47Å |
| 265 | H | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 140.3 | 174.8 | -58.4 | -71.9 | 0 | 0 | 0 | 110.5 | L256 I257 S259 W267 S277 | L256-H265 VanDerWaalsContact CA-O 3.31Å; L256-H265 WeakPolarHBondContact CA-O 3.39Å; I257-H265 HydrophobicContact CG2-CB 4.31Å; I257-H265 PolarHBondContact N-O 2.68Å; I257-H265 PolarHBondContact O-N 3.3Å; S259-H265 PolarHBondContact OG-NE2 3Å; H265-W267 HydrophobicContact CB-CE3 4.33Å; H265-W267 HydrophobicContact CB-CH2 3.09Å; H265-W267 HydrophobicContact CB-CZ2 3.66Å; H265-W267 HydrophobicContact CB-CZ3 3.49Å; H265-W267 VanDerWaalsContact CB-CZ3 3.49Å; H265-W267 AromaticContact CG-CH2 3.94Å; H265-W267 WeakPolarHBondContact O-CZ3 3.47Å; H265-S277 PolarHBondContact ND1-OG 3.01Å; H265-S277 VanDerWaalsContact ND1-OG 3.09Å |
| 266 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.7 | -175 | -50.8 | -174.9 | 0 | 0 | 0 | 109.4 | I8 F254 V255 L256 V264 R274 V275 A276 L278 | I8-I266 HydrophobicContact CD1-CD1 4.18Å; I8-I266 HydrophobicContact CG1-CD1 3.74Å; I8-I266 HydrophobicContact CG1-CG2 3.86Å; F254-I266 HydrophobicContact CB-CG2 3.82Å; F254-I266 HydrophobicContact CD1-CG2 4.17Å; F254-I266 HydrophobicContact CG-CG2 4.2Å; V255-I266 VanDerWaalsContact O-CA 3.3Å; V255-I266 WeakPolarHBondContact O-CA 3.48Å; L256-I266 HydrophobicContact CD2-CD1 3.7Å; L256-I266 HydrophobicContact CD2-CG1 3.94Å; L256-I266 HydrophobicContact CG-CD1 4.28Å; L256-I266 HydrophobicContact CG-CG1 4.04Å; L256-I266 HydrophobicContact CG-CG2 4.33Å; V264-I266 HydrophobicContact CG1-CD1 4.42Å; V264-I266 HydrophobicContact CG1-CG1 4.13Å; I266-R274 CarbonylContact O-C 3.55Å; I266-R274 WeakPolarHBondContact O-CA 3.29Å; I266-R274 WeakPolarHBondContact O-CG 3.42Å; I266-V275 PolarHBondContact O-N 2.94Å; I266-A276 HydrophobicContact CB-CB 4.17Å; I266-A276 HydrophobicContact CD1-CB 4.29Å; I266-A276 HydrophobicContact CG1-CB 4.37Å; I266-A276 PolarHBondContact N-O 3.14Å; I266-A276 PolarHBondContact O-N 2.78Å; I266-A276 VanDerWaalsContact O-N 3.16Å; I266-L278 HydrophobicContact CD1-CD1 3.63Å; I266-L278 HydrophobicContact CD1-CG 4.39Å |
| 267 | W | 98.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148 | 176.4 | -59.8 | -103.2 | 0 | 0 | 0 | 111.2 | I219 L233 T234 V235 F254 V255 I257 H265 V273 R274 | I219-W267 HydrophobicContact CD1-CZ3 4.38Å; L233-W267 HydrophobicContact CB-CD2 3.99Å; L233-W267 HydrophobicContact CB-CE3 4.43Å; L233-W267 HydrophobicContact CB-CG 4.24Å; L233-W267 HydrophobicContact CB-CZ2 4.3Å; L233-W267 HydrophobicContact CD1-CB 3.97Å; L233-W267 HydrophobicContact CD1-CD2 4.01Å; L233-W267 HydrophobicContact CD1-CE3 4.09Å; L233-W267 HydrophobicContact CD1-CG 3.97Å; L233-W267 HydrophobicContact CD2-CB 4.04Å; L233-W267 HydrophobicContact CD2-CD2 4.49Å; L233-W267 HydrophobicContact CD2-CG 3.87Å; L233-W267 HydrophobicContact CG-CD2 4.39Å; L233-W267 HydrophobicContact CG-CG 4.24Å; T234-W267 VanDerWaalsContact O-CZ2 3.28Å; T234-W267 WeakPolarHBondContact O-CZ2 3.43Å; V235-W267 HydrophobicContact CG2-CH2 3.97Å; F254-W267 CarbonylContact C-O 3.53Å; F254-W267 WeakPolarHBondContact CA-O 3.32Å; F254-W267 WeakPolarHBondContact CB-O 3.32Å; V255-W267 PolarHBondContact N-O 3.14Å; V255-W267 PolarHBondContact O-N 3.48Å; I257-W267 HydrophobicContact CB-CZ3 4.37Å; I257-W267 HydrophobicContact CG2-CH2 3.58Å; I257-W267 HydrophobicContact CG2-CZ3 3.53Å; H265-W267 HydrophobicContact CB-CE3 4.33Å; H265-W267 HydrophobicContact CB-CH2 3.09Å; H265-W267 HydrophobicContact CB-CZ2 3.66Å; H265-W267 HydrophobicContact CB-CZ3 3.49Å; H265-W267 VanDerWaalsContact CB-CZ3 3.49Å; H265-W267 AromaticContact CG-CH2 3.94Å; H265-W267 WeakPolarHBondContact O-CZ3 3.47Å; W267-V273 VanDerWaalsContact CA-O 3.29Å; W267-V273 WeakPolarHBondContact CA-O 3.41Å; W267-R274 HydrophobicContact CD2-CG 4.39Å; W267-R274 HydrophobicContact CG-CB 4.34Å; W267-R274 HydrophobicContact CG-CG 4.4Å; W267-R274 HydrophobicContact CZ2-CG 4.48Å |
| 268 | S | 98 | Very high | 96 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129 | 166.8 | 162.2 | 0 | 0 | 0 | 0 | 109.1 | E270 T271 G272 V273 | S268-E270 VanDerWaalsContact C-N 3.32Å; S268-E270 PolarHBondContact OG-N 3.37Å; S268-T271 VanDerWaalsContact CB-OG1 3.23Å; S268-T271 WeakPolarHBondContact CB-OG1 3.46Å; S268-T271 PolarHBondContact OG-N 3.07Å; S268-T271 PolarHBondContact OG-OG1 2.9Å; S268-T271 VanDerWaalsContact OG-OG1 3.06Å; S268-G272 VanDerWaalsContact O-CA 3.29Å; S268-G272 WeakPolarHBondContact O-CA 3.45Å; S268-G272 PolarHBondContact O-N 3.14Å; S268-V273 PolarHBondContact N-O 2.77Å |
| 269 | V | 98.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -37.7 | 177.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L221 H231 F248 S252 Q253 V255 | L221-V269 HydrophobicContact CD1-CG1 4.41Å; L221-V269 HydrophobicContact CD1-CG2 4.47Å; H231-V269 PolarHBondContact CD2-O 3.02Å; H231-V269 VanDerWaalsContact CD2-O 3.23Å; H231-V269 PolarHBondContact NE2-O 2.82Å; F248-V269 HydrophobicContact CD1-CG2 3.89Å; F248-V269 HydrophobicContact CE1-CG1 4.43Å; F248-V269 HydrophobicContact CE1-CG2 3.71Å; S252-V269 WeakPolarHBondContact O-CB 3.44Å; S252-V269 WeakPolarHBondContact O-CG2 3.46Å; Q253-V269 PolarHBondContact O-N 2.9Å; V255-V269 HydrophobicContact CG2-CG2 3.78Å |
| 270 | E | 97.4 | Very high | 95.4 | Very high | 157 Ų | 157 | 37 Ų | 37 | 73% | 0.734 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -51 | -179.7 | -179 | 176.7 | -175.6 | 0 | 0 | 111.5 | H231 S268 | H231-E270 PolarHBondContact NE2-O 3.22Å; S268-E270 VanDerWaalsContact C-N 3.32Å; S268-E270 PolarHBondContact OG-N 3.37Å |
| 271 | T | 97.3 | Very high | 94.8 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 47% | 0.466 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -17.5 | -169.7 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | H231 S268 V273 | H231-T271 PolarHBondContact CE1-O 2.88Å; S268-T271 VanDerWaalsContact CB-OG1 3.23Å; S268-T271 WeakPolarHBondContact CB-OG1 3.46Å; S268-T271 PolarHBondContact OG-N 3.07Å; S268-T271 PolarHBondContact OG-OG1 2.9Å; S268-T271 VanDerWaalsContact OG-OG1 3.06Å; T271-V273 PolarHBondContact O-N 2.83Å; T271-V273 PolarHBondContact OG1-N 3.1Å |
| 272 | G | 97.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 38 Ų | 38 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | trans | 70.1 | 1.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H231 S268 | H231-G272 PolarHBondContact CE1-N 3.13Å; H231-G272 VanDerWaalsContact CG-CA 3.49Å; H231-G272 WeakPolarHBondContact ND1-CA 3.45Å; H231-G272 PolarHBondContact NE2-N 3.02Å; S268-G272 VanDerWaalsContact O-CA 3.29Å; S268-G272 WeakPolarHBondContact O-CA 3.45Å; S268-G272 PolarHBondContact O-N 3.14Å | ||
| 273 | V | 97.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 38.8 Ų | 38.8 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | trans | -77.9 | 137.5 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | W267 S268 T271 V275 | W267-V273 VanDerWaalsContact CA-O 3.29Å; W267-V273 WeakPolarHBondContact CA-O 3.41Å; S268-V273 PolarHBondContact N-O 2.77Å; T271-V273 PolarHBondContact O-N 2.83Å; T271-V273 PolarHBondContact OG1-N 3.1Å; V273-V275 PolarHBondContact O-N 3.33Å | ||
| 274 | R | 97.6 | Very high | 91.9 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113.9 | 173.7 | -163.7 | -175.4 | -67.5 | 173.1 | -3.1 | 109.3 | T234 I266 W267 S277 | T234-R274 PolarHBondContact O-NH2 2.81Å; I266-R274 CarbonylContact O-C 3.55Å; I266-R274 WeakPolarHBondContact O-CA 3.29Å; I266-R274 WeakPolarHBondContact O-CG 3.42Å; W267-R274 HydrophobicContact CD2-CG 4.39Å; W267-R274 HydrophobicContact CG-CB 4.34Å; W267-R274 HydrophobicContact CG-CG 4.4Å; W267-R274 HydrophobicContact CZ2-CG 4.48Å; R274-S277 VanDerWaalsContact CD-OG 3.25Å; R274-S277 WeakPolarHBondContact CD-OG 3.28Å |
| 275 | V | 97.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -48.6 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | D5 I8 R9 F254 I266 V273 | D5-V275 HydrophobicContact CB-CG1 4.38Å; I8-V275 HydrophobicContact CG2-CG1 3.74Å; R9-V275 HydrophobicContact CG-CG1 4.06Å; R9-V275 PolarHBondContact NH1-O 2.99Å; R9-V275 PolarHBondContact NH2-O 2.92Å; F254-V275 HydrophobicContact CD1-CG2 4.16Å; F254-V275 HydrophobicContact CE1-CG1 4.39Å; F254-V275 HydrophobicContact CE1-CG2 3.99Å; I266-V275 PolarHBondContact O-N 2.94Å; V273-V275 PolarHBondContact O-N 3.33Å |
| 276 | A | 96.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R9 I266 L278 | R9-A276 HydrophobicContact CG-CB 4.18Å; I266-A276 HydrophobicContact CB-CB 4.17Å; I266-A276 HydrophobicContact CD1-CB 4.29Å; I266-A276 HydrophobicContact CG1-CB 4.37Å; I266-A276 PolarHBondContact N-O 3.14Å; I266-A276 PolarHBondContact O-N 2.78Å; I266-A276 VanDerWaalsContact O-N 3.16Å; A276-L278 HydrophobicContact CB-CD2 3.9Å; A276-L278 HydrophobicContact CB-CG 4.02Å |
| 277 | S | 95.6 | Very high | 88.2 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 103.2 | 167.3 | -69.5 | 0 | 0 | 0 | 0 | 106.1 | V264 H265 R274 | V264-S277 WeakPolarHBondContact O-CA 3.39Å; H265-S277 PolarHBondContact ND1-OG 3.01Å; H265-S277 VanDerWaalsContact ND1-OG 3.09Å; R274-S277 VanDerWaalsContact CD-OG 3.25Å; R274-S277 WeakPolarHBondContact CD-OG 3.28Å |
| 278 | L | 95.1 | Very high | 86.7 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.1 | -168.3 | -52.8 | 174.9 | 0 | 0 | 0 | 108.6 | R9 F11 V264 I266 A276 W314 | R9-L278 WeakPolarHBondContact O-CD2 3.31Å; F11-L278 HydrophobicContact CB-CD1 3.73Å; F11-L278 WeakPolarHBondContact O-CD1 3.26Å; V264-L278 HydrophobicContact CB-CB 4.45Å; V264-L278 PolarHBondContact N-O 3.38Å; V264-L278 PolarHBondContact O-N 3.15Å; I266-L278 HydrophobicContact CD1-CD1 3.63Å; I266-L278 HydrophobicContact CD1-CG 4.39Å; A276-L278 HydrophobicContact CB-CD2 3.9Å; A276-L278 HydrophobicContact CB-CG 4.02Å; L278-W314 HydrophobicContact CB-CH2 4.39Å; L278-W314 HydrophobicContact CB-CZ3 3.79Å |
| 279 | P | 91.8 | Very high | 85.4 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.8 | -178.5 | 28.6 | -33.7 | 0 | 0 | 0 | 110.7 | W314 | P279-W314 WeakPolarHBondContact O-CH2 3.31Å |
| 280 | G | 84.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | trans | -86.2 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G262 N289 | G262-G280 WeakPolarHBondContact O-CA 3.47Å; G262-G280 PolarHBondContact O-N 3.3Å; G280-N289 PolarHBondContact O-OD1 2.84Å | ||
| 281 | Y | 80.2 | Confident | 84.4 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 38% | 0.376 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 133.3 | 175 | 178.9 | -103.2 | 0 | 0 | 0 | 110.3 | Y16 A283 Q310 | Y16-Y281 HydrophobicContact CE1-CD1 4.05Å; Y16-Y281 VanDerWaalsContact CE1-O 3.29Å; Y16-Y281 WeakPolarHBondContact CE1-O 3.43Å; Y16-Y281 HydrophobicContact CE2-CD1 4.4Å; Y16-Y281 AromaticContact CZ-CD1 3.87Å; Y281-A283 HydrophobicContact CD1-CB 4.27Å; Y281-A283 HydrophobicContact CE1-CB 3.95Å; Y281-Q310 PolarHBondContact O-NE2 3.12Å; Y281-Q310 VanDerWaalsContact O-NE2 3.07Å |
| 282 | E | 77.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 104.7 | 177.2 | -172.9 | 62.4 | -134.5 | 0 | 0 | 110 | A284 T285 Q286 L287 A290 S308 Q310 | E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.44Å; E282-T285 HydrophobicContact CG-CG2 4.31Å; E282-T285 WeakPolarHBondContact CG-OG1 3.2Å; E282-Q286 VanDerWaalsContact O-CA 3.26Å; E282-Q286 WeakPolarHBondContact O-CA 3.46Å; E282-Q286 PolarHBondContact O-N 3.18Å; E282-L287 WeakPolarHBondContact CB-O 3.42Å; E282-L287 PolarHBondContact N-O 3.35Å; E282-L287 VanDerWaalsContact N-O 3.1Å; E282-L287 PolarHBondContact O-N 3.06Å; E282-A290 HydrophobicContact CB-CB 3.46Å; E282-A290 VanDerWaalsContact CB-CB 3.46Å; E282-A290 HydrophobicContact CG-CB 3.7Å; E282-S308 VanDerWaalsContact OE2-CB 3.3Å; E282-S308 WeakPolarHBondContact OE2-CB 3.37Å; E282-S308 PolarHBondContact OE2-OG 3.32Å; E282-Q310 VanDerWaalsContact CD-CD 3.47Å; E282-Q310 WeakPolarHBondContact OE1-CB 3.28Å; E282-Q310 WeakPolarHBondContact OE1-CG 3.45Å; E282-Q310 PolarHBondContact OE1-OE1 3.04Å; E282-Q310 WeakPolarHBondContact OE2-CG 3.22Å |
| 283 | A | 71.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y16 K18 Y281 Q310 | Y16-A283 HydrophobicContact CD1-CB 4.27Å; Y16-A283 HydrophobicContact CD2-CB 4.13Å; Y16-A283 HydrophobicContact CG-CB 3.8Å; K18-A283 VanDerWaalsContact CE-C 3.43Å; K18-A283 VanDerWaalsContact CE-O 3.3Å; K18-A283 WeakPolarHBondContact CE-O 3.33Å; K18-A283 PolarHBondContact NZ-O 2.81Å; Y281-A283 HydrophobicContact CD1-CB 4.27Å; Y281-A283 HydrophobicContact CE1-CB 3.95Å; A283-Q310 VanDerWaalsContact N-NE2 3.11Å; A283-Q310 VanDerWaalsContact N-OE1 3.17Å |
| 284 | A | 66.7 | Low | 84.1 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 44% | 0.438 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -48.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K18 E282 | K18-A284 HydrophobicContact CD-CB 4.44Å; K18-A284 HydrophobicContact CG-CB 4.42Å; E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.44Å |
| 285 | T | 70.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 42.5 Ų | 42.5 | 41% | 0.411 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.4 | -178.6 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | E282 L287 | E282-T285 HydrophobicContact CG-CG2 4.31Å; E282-T285 WeakPolarHBondContact CG-OG1 3.2Å; T285-L287 HydrophobicContact CG2-CD1 4.37Å; T285-L287 PolarHBondContact O-N 3.46Å; T285-L287 VanDerWaalsContact O-N 3.09Å; T285-L287 VanDerWaalsContact OG1-CB 3.32Å; T285-L287 WeakPolarHBondContact OG1-CB 3.12Å; T285-L287 WeakPolarHBondContact OG1-CD1 3.42Å; T285-L287 WeakPolarHBondContact OG1-CG 3.5Å; T285-L287 PolarHBondContact OG1-N 3.08Å |
| 286 | Q | 73.8 | Confident | 84.2 | Confident | 151 Ų | 151 | 42.7 Ų | 42.7 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 20.5 | -168.6 | -53.3 | -177.2 | 12 | 0 | 0 | 112.6 | E282 | E282-Q286 VanDerWaalsContact O-CA 3.26Å; E282-Q286 WeakPolarHBondContact O-CA 3.46Å; E282-Q286 PolarHBondContact O-N 3.18Å |
| 287 | L | 69.8 | Low | 84.2 | Confident | 99 Ų | 99 | 43 Ų | 43 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127 | 176 | -69 | 169.6 | 0 | 0 | 0 | 107.9 | E282 T285 N289 | E282-L287 WeakPolarHBondContact CB-O 3.42Å; E282-L287 PolarHBondContact N-O 3.35Å; E282-L287 VanDerWaalsContact N-O 3.1Å; E282-L287 PolarHBondContact O-N 3.06Å; T285-L287 HydrophobicContact CG2-CD1 4.37Å; T285-L287 PolarHBondContact O-N 3.46Å; T285-L287 VanDerWaalsContact O-N 3.09Å; T285-L287 VanDerWaalsContact OG1-CB 3.32Å; T285-L287 WeakPolarHBondContact OG1-CB 3.12Å; T285-L287 WeakPolarHBondContact OG1-CD1 3.42Å; T285-L287 WeakPolarHBondContact OG1-CG 3.5Å; T285-L287 PolarHBondContact OG1-N 3.08Å; L287-N289 PolarHBondContact O-N 3.36Å |
| 288 | P | 66 | Low | 84.4 | Confident | 90 Ų | 90 | 40.6 Ų | 40.6 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 141.2 | 157.1 | 27.2 | -30.5 | 0 | 0 | 0 | 107.5 | ||
| 289 | N | 70.8 | Confident | 84.4 | Confident | 65 Ų | 65 | 42.3 Ų | 42.3 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 45.1 | 161.9 | -65 | -9.1 | 0 | 0 | 0 | 117.1 | D261 G280 L287 | D261-N289 CarbonylContact C-O 3.51Å; D261-N289 WeakPolarHBondContact O-CB 3.39Å; G280-N289 PolarHBondContact O-OD1 2.84Å; L287-N289 PolarHBondContact O-N 3.36Å |
| 290 | A | 84 | Confident | 84.6 | Confident | 22 Ų | 22 | 46 Ų | 46 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | trans | -65.9 | 146.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G262 E282 I292 | G262-A290 WeakPolarHBondContact CA-O 3.33Å; E282-A290 HydrophobicContact CB-CB 3.46Å; E282-A290 VanDerWaalsContact CB-CB 3.46Å; E282-A290 HydrophobicContact CG-CB 3.7Å; A290-I292 PolarHBondContact O-N 3.44Å | ||
| 291 | A | 91.8 | Very high | 85.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -53 | 121.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P260 H293 S308 | P260-A291 WeakPolarHBondContact O-CA 3.28Å; A291-H293 PolarHBondContact O-ND1 3.48Å; A291-S308 WeakPolarHBondContact O-CA 3.5Å; A291-S308 WeakPolarHBondContact O-CB 3.31Å | ||
| 292 | I | 94.6 | Very high | 85.8 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -95.2 | 107.9 | 175.9 | -61.2 | 168.9 | 0 | 0 | 0 | 107.9 | G258 S259 G262 V264 A290 S294 T306 W314 | G258-I292 CarbonylContact C-O 3.52Å; G258-I292 VanDerWaalsContact C-O 3.28Å; S259-I292 PolarHBondContact O-N 2.85Å; G262-I292 WeakPolarHBondContact O-CD1 2.99Å; V264-I292 HydrophobicContact CG2-CD1 3.78Å; A290-I292 PolarHBondContact O-N 3.44Å; I292-S294 WeakPolarHBondContact CG2-O 3.44Å; I292-T306 HydrophobicContact CD1-CG2 4.45Å; I292-T306 HydrophobicContact CG2-CG2 4.12Å; I292-W314 HydrophobicContact CD1-CZ2 4.45Å | ||
| 293 | H | 95.2 | Very high | 86.8 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | trans | -93.3 | -35 | -174.9 | -58 | 105 | 0 | 0 | 0 | 112.8 | R23 Q242 L244 H245 A291 G307 | R23-H293 VanDerWaalsContact CZ-CG 3.45Å; R23-H293 PolarHBondContact NH1-CD2 2.88Å; R23-H293 PolarHBondContact NH1-NE2 3.3Å; R23-H293 PolarHBondContact NH2-CD2 3.05Å; Q242-H293 PolarHBondContact OE1-CD2 3.21Å; Q242-H293 PolarHBondContact OE1-NE2 3.28Å; L244-H293 WeakPolarHBondContact CA-O 3.38Å; H245-H293 PolarHBondContact N-O 2.85Å; A291-H293 PolarHBondContact O-ND1 3.48Å; H293-G307 PolarHBondContact N-O 3.44Å | ||
| 294 | S | 96.5 | Very high | 88 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.9 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | I24 I292 G307 | I24-S294 PolarHBondContact O-OG 3.02Å; I24-S294 VanDerWaalsContact O-OG 3.08Å; I292-S294 WeakPolarHBondContact CG2-O 3.44Å; S294-G307 PolarHBondContact N-O 2.71Å; S294-G307 PolarHBondContact O-N 3.46Å |
| 295 | L | 97.5 | Very high | 89.5 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 159.6 | 167.3 | 61.8 | 72.6 | 0 | 0 | 0 | 110.3 | L256 G258 V264 L304 A305 T306 | L256-L295 HydrophobicContact CB-CD1 4.15Å; L256-L295 HydrophobicContact CB-CD2 3.94Å; G258-L295 VanDerWaalsContact N-CD2 3.34Å; V264-L295 HydrophobicContact CG1-CD2 4.25Å; L295-L304 HydrophobicContact CB-CD1 4.09Å; L295-L304 HydrophobicContact CD1-CD1 4.39Å; L295-L304 HydrophobicContact CD2-CD1 4.46Å; L295-A305 CarbonylContact C-O 3.58Å; L295-A305 WeakPolarHBondContact CA-O 3.39Å; L295-A305 VanDerWaalsContact CB-O 3.31Å; L295-A305 WeakPolarHBondContact CB-O 3.45Å; L295-T306 HydrophobicContact CB-CG2 4.17Å |
| 296 | A | 97.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L27 Y29 L304 A305 | L27-A296 HydrophobicContact CB-CB 3.91Å; Y29-A296 HydrophobicContact CD2-CB 3.85Å; Y29-A296 HydrophobicContact CE2-CB 3.87Å; Y29-A296 WeakPolarHBondContact CE2-O 3.4Å; A296-L304 WeakPolarHBondContact O-CD1 3.39Å; A296-A305 PolarHBondContact N-O 3.02Å; A296-A305 PolarHBondContact O-N 3.42Å |
| 297 | F | 98.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.8 | 171.1 | -152.3 | -73.2 | 0 | 0 | 0 | 109.5 | L3 I8 F11 T249 P250 L256 L304 | L3-F297 HydrophobicContact CD1-CE1 3.93Å; L3-F297 HydrophobicContact CD1-CE2 4.09Å; L3-F297 HydrophobicContact CD1-CZ 3.44Å; L3-F297 VanDerWaalsContact CD1-CZ 3.44Å; L3-F297 HydrophobicContact CD2-CZ 4.37Å; I8-F297 HydrophobicContact CD1-CE2 4.07Å; F11-F297 HydrophobicContact CE1-CE2 4.15Å; F11-F297 HydrophobicContact CE1-CZ 4.11Å; F11-F297 HydrophobicContact CE2-CZ 4.46Å; F11-F297 AromaticContact CZ-CE2 3.98Å; F11-F297 HydrophobicContact CZ-CE2 3.98Å; F11-F297 AromaticContact CZ-CZ 3.65Å; F11-F297 HydrophobicContact CZ-CZ 3.65Å; T249-F297 HydrophobicContact CG2-CD2 3.9Å; T249-F297 HydrophobicContact CG2-CE2 3.86Å; T249-F297 HydrophobicContact CG2-CG 4.4Å; T249-F297 HydrophobicContact CG2-CZ 4.33Å; P250-F297 HydrophobicContact CG-CD1 3.7Å; P250-F297 HydrophobicContact CG-CE1 4.26Å; L256-F297 HydrophobicContact CD1-CD2 3.96Å; L256-F297 HydrophobicContact CD2-CD2 4.17Å; L256-F297 HydrophobicContact CD2-CE2 4.46Å; F297-L304 HydrophobicContact CD2-CB 4.24Å; F297-L304 HydrophobicContact CD2-CD1 4.44Å; F297-L304 HydrophobicContact CE2-CB 4.38Å |
| 298 | N | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -66.3 | 130.6 | -178.2 | -173.5 | -58.5 | 0 | 0 | 0 | 110.9 | Y29 G33 P250 R300 F301 M303 | Y29-N298 HydrophobicContact CD1-CB 4.28Å; Y29-N298 WeakPolarHBondContact CD1-ND2 3.11Å; Y29-N298 HydrophobicContact CD2-CB 4.21Å; Y29-N298 HydrophobicContact CE1-CB 3.98Å; Y29-N298 VanDerWaalsContact CE1-ND2 3.28Å; Y29-N298 WeakPolarHBondContact CE1-ND2 3.31Å; Y29-N298 HydrophobicContact CE2-CB 3.89Å; Y29-N298 HydrophobicContact CG-CB 4.38Å; G33-N298 WeakPolarHBondContact CA-OD1 3.41Å; G33-N298 PolarHBondContact O-ND2 2.8Å; P250-N298 WeakPolarHBondContact CG-O 3.33Å; N298-R300 PolarHBondContact O-N 3.38Å; N298-R300 PolarHBondContact OD1-N 2.86Å; N298-F301 WeakPolarHBondContact OD1-CD2 3.24Å; N298-F301 PolarHBondContact OD1-N 3.42Å; N298-M303 HydrophobicContact CB-CB 3.86Å; N298-M303 VanDerWaalsContact CB-O 3.22Å; N298-M303 WeakPolarHBondContact CB-O 3.3Å; N298-M303 PolarHBondContact N-O 3.18Å | ||
| 299 | P | 96 | Very high | 94.3 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 34% | 0.338 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -69.6 | -16.9 | -174.3 | 26.9 | -35 | 0 | 0 | 0 | 114.3 | S30 | S30-P299 WeakPolarHBondContact O-CG 3.48Š|
| 300 | R | 95.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 24.7 Ų | 24.7 | 62% | 0.615 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -117.9 | -34.6 | -174.3 | -59.5 | -56.5 | -179.5 | 170.8 | -0.5 | 113.6 | S31 N32 N298 | S31-R300 PolarHBondContact O-NE 2.84Å; N32-R300 WeakPolarHBondContact O-CG 3.49Å; N298-R300 PolarHBondContact O-N 3.38Å; N298-R300 PolarHBondContact OD1-N 2.86Å |
| 301 | F | 95.1 | Very high | 96 | Very high | 95 Ų | 95 | 23.7 Ų | 23.7 | 42% | 0.417 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -113.5 | 153.9 | -172.8 | -51.6 | -64.5 | 0 | 0 | 0 | 111.3 | N298 M303 | N298-F301 WeakPolarHBondContact OD1-CD2 3.24Å; N298-F301 PolarHBondContact OD1-N 3.42Å; F301-M303 HydrophobicContact CB-CB 4.4Å; F301-M303 PolarHBondContact O-N 3.26Å |
| 302 | A | 95.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 14% | 0.14 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -72.9 | 73.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 L3 F11 P316 | M1-A302 HydrophobicContact CE-CB 4.22Å; M1-A302 HydrophobicContact SD-CB 3.76Å; L3-A302 HydrophobicContact CD2-CB 4.24Å; F11-A302 HydrophobicContact CZ-CB 4.12Å; A302-P316 HydrophobicContact CB-CG 4.09Å; A302-P316 WeakPolarHBondContact O-CD 3.3Å |
| 303 | M | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.074 | 11% | 0.111 | C | C | . | . | trans | -140.9 | 134.5 | -176.9 | -179.7 | -174.7 | -73.2 | 0 | 0 | 109.4 | Y29 C50 N298 F301 F313 W314 L315 | Y29-M303 HydrophobicContact CE1-SD 4.38Å; C50-M303 HydrophobicContact CB-CE 4.11Å; C50-M303 HydrophobicContact CB-SD 3.88Å; C50-M303 VanDerWaalsContact O-CE 3.27Å; C50-M303 WeakPolarHBondContact O-CE 3.45Å; N298-M303 HydrophobicContact CB-CB 3.86Å; N298-M303 VanDerWaalsContact CB-O 3.22Å; N298-M303 WeakPolarHBondContact CB-O 3.3Å; N298-M303 PolarHBondContact N-O 3.18Å; F301-M303 HydrophobicContact CB-CB 4.4Å; F301-M303 PolarHBondContact O-N 3.26Å; M303-F313 HydrophobicContact SD-CD2 4.37Å; M303-F313 HydrophobicContact SD-CG 4.43Å; M303-W314 WeakPolarHBondContact CA-O 3.24Å; M303-L315 HydrophobicContact CB-CD2 3.9Å; M303-L315 HydrophobicContact CE-CD2 3.78Å; M303-L315 HydrophobicContact CG-CD2 3.95Å | ||
| 304 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.7 | 175.3 | 162.7 | 73.4 | 0 | 0 | 0 | 108.2 | F11 L256 V264 L295 A296 F297 T306 W314 | F11-L304 HydrophobicContact CD1-CB 4.04Å; F11-L304 HydrophobicContact CE1-CB 4.05Å; L256-L304 HydrophobicContact CD2-CD1 4.2Å; L256-L304 HydrophobicContact CD2-CD2 3.98Å; V264-L304 HydrophobicContact CG1-CD2 4.09Å; V264-L304 HydrophobicContact CG2-CD2 4.46Å; L295-L304 HydrophobicContact CB-CD1 4.09Å; L295-L304 HydrophobicContact CD1-CD1 4.39Å; L295-L304 HydrophobicContact CD2-CD1 4.46Å; A296-L304 WeakPolarHBondContact O-CD1 3.39Å; F297-L304 HydrophobicContact CD2-CB 4.24Å; F297-L304 HydrophobicContact CD2-CD1 4.44Å; F297-L304 HydrophobicContact CE2-CB 4.38Å; L304-T306 HydrophobicContact CD2-CG2 4.27Å; L304-T306 HydrophobicContact CG-CG2 4.23Å; L304-W314 HydrophobicContact CB-CB 3.96Å; L304-W314 HydrophobicContact CD2-CB 4.21Å; L304-W314 HydrophobicContact CD2-CD2 4.27Å; L304-W314 HydrophobicContact CD2-CG 4.11Å; L304-W314 HydrophobicContact CG-CB 4.25Å; L304-W314 HydrophobicContact CG-CG 4.31Å; L304-W314 PolarHBondContact N-O 3.31Å; L304-W314 PolarHBondContact O-N 3.24Å |
| 305 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | L27 Y29 L36 L295 A296 S312 F313 | L27-A305 HydrophobicContact CD1-CB 4.18Å; Y29-A305 HydrophobicContact CE2-CB 4.19Å; Y29-A305 VanDerWaalsContact OH-CB 3.31Å; Y29-A305 WeakPolarHBondContact OH-CB 3.32Å; Y29-A305 PolarHBondContact OH-N 2.99Å; L36-A305 HydrophobicContact CD1-CB 4Å; L36-A305 HydrophobicContact CD2-CB 3.86Å; L295-A305 CarbonylContact C-O 3.58Å; L295-A305 WeakPolarHBondContact CA-O 3.39Å; L295-A305 VanDerWaalsContact CB-O 3.31Å; L295-A305 WeakPolarHBondContact CB-O 3.45Å; A296-A305 PolarHBondContact N-O 3.02Å; A296-A305 PolarHBondContact O-N 3.42Å; A305-S312 VanDerWaalsContact CA-O 3.28Å; A305-S312 WeakPolarHBondContact CA-O 3.47Å; A305-F313 HydrophobicContact CB-CD1 4.03Å; A305-F313 HydrophobicContact CB-CE1 4.16Å |
| 306 | T | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.1 | 173.8 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | V264 I292 L295 L304 T311 S312 W314 | V264-T306 HydrophobicContact CG2-CG2 3.8Å; I292-T306 HydrophobicContact CD1-CG2 4.45Å; I292-T306 HydrophobicContact CG2-CG2 4.12Å; L295-T306 HydrophobicContact CB-CG2 4.17Å; L304-T306 HydrophobicContact CD2-CG2 4.27Å; L304-T306 HydrophobicContact CG-CG2 4.23Å; T306-T311 WeakPolarHBondContact O-CA 3.46Å; T306-S312 PolarHBondContact N-O 2.81Å; T306-S312 PolarHBondContact O-N 2.62Å; T306-W314 HydrophobicContact CG2-CZ2 4.22Å; T306-W314 VanDerWaalsContact CG2-NE1 3.32Å; T306-W314 PolarHBondContact OG1-NE1 2.93Å |
| 307 | G | 96 | Very high | 96 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 112.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H293 S294 | H293-G307 PolarHBondContact N-O 3.44Å; S294-G307 PolarHBondContact N-O 2.71Å; S294-G307 PolarHBondContact O-N 3.46Å |
| 308 | S | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -111.1 | -119.8 | 172.1 | 53 | 0 | 0 | 0 | 0 | 108.4 | R23 I24 E282 A291 Q310 | R23-S308 CarbonylContact C-O 3.56Å; R23-S308 WeakPolarHBondContact CA-O 3.34Å; I24-S308 PolarHBondContact N-O 3.25Å; E282-S308 VanDerWaalsContact OE2-CB 3.3Å; E282-S308 WeakPolarHBondContact OE2-CB 3.37Å; E282-S308 PolarHBondContact OE2-OG 3.32Å; A291-S308 WeakPolarHBondContact O-CA 3.5Å; A291-S308 WeakPolarHBondContact O-CB 3.31Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact N-O 2.75Å; S308-Q310 PolarHBondContact OG-N 3.07Å; S308-Q310 PolarHBondContact OG-O 2.81Å |
| 309 | N | 92.2 | Very high | 93.5 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -90 | -1.8 | 160.7 | -67 | -2.7 | 0 | 0 | 0 | 111.7 | ||
| 310 | Q | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -134.4 | 161.5 | 172.2 | 76.5 | -176.1 | -0.3 | 0 | 0 | 109.1 | F17 Y281 E282 A283 S308 S312 | F17-Q310 WeakPolarHBondContact O-CB 3.4Å; Y281-Q310 PolarHBondContact O-NE2 3.12Å; Y281-Q310 VanDerWaalsContact O-NE2 3.07Å; E282-Q310 VanDerWaalsContact CD-CD 3.47Å; E282-Q310 WeakPolarHBondContact OE1-CB 3.28Å; E282-Q310 WeakPolarHBondContact OE1-CG 3.45Å; E282-Q310 PolarHBondContact OE1-OE1 3.04Å; E282-Q310 WeakPolarHBondContact OE2-CG 3.22Å; A283-Q310 VanDerWaalsContact N-NE2 3.11Å; A283-Q310 VanDerWaalsContact N-OE1 3.17Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact N-O 2.75Å; S308-Q310 PolarHBondContact OG-N 3.07Å; S308-Q310 PolarHBondContact OG-O 2.81Å; Q310-S312 PolarHBondContact NE2-OG 3.17Å |
| 311 | T | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.2 | 166.7 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | F17 L27 L36 Y48 T306 F313 | F17-T311 WeakPolarHBondContact CB-O 3.27Å; F17-T311 HydrophobicContact CD2-CG2 4.08Å; F17-T311 WeakPolarHBondContact CD2-O 3.44Å; F17-T311 PolarHBondContact N-O 3.5Å; F17-T311 PolarHBondContact O-N 2.93Å; L27-T311 HydrophobicContact CD2-CG2 4.11Å; L36-T311 HydrophobicContact CD2-CG2 3.73Å; Y48-T311 HydrophobicContact CD2-CG2 4.43Å; Y48-T311 HydrophobicContact CE2-CG2 3.93Å; Y48-T311 PolarHBondContact OH-OG1 2.99Å; T306-T311 WeakPolarHBondContact O-CA 3.46Å; T311-F313 HydrophobicContact CG2-CE1 4.49Å |
| 312 | S | 96.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.5 | 174.5 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | K15 A305 T306 Q310 | K15-S312 CarbonylContact O-C 3.53Å; K15-S312 VanDerWaalsContact O-CA 3.26Å; K15-S312 WeakPolarHBondContact O-CA 3.4Å; A305-S312 VanDerWaalsContact CA-O 3.28Å; A305-S312 WeakPolarHBondContact CA-O 3.47Å; T306-S312 PolarHBondContact N-O 2.81Å; T306-S312 PolarHBondContact O-N 2.62Å; Q310-S312 PolarHBondContact NE2-OG 3.17Å |
| 313 | F | 97.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.8 | 169.8 | -68 | -16.4 | 0 | 0 | 0 | 111 | P13 V14 K15 F17 L36 Y48 M303 A305 T311 | P13-F313 CarbonylContact C-O 3.53Å; P13-F313 WeakPolarHBondContact CA-O 3.27Å; V14-F313 WeakPolarHBondContact CG2-O 2.75Å; V14-F313 PolarHBondContact N-O 2.82Å; K15-F313 HydrophobicContact CB-CB 4.21Å; K15-F313 PolarHBondContact N-O 3.26Å; K15-F313 PolarHBondContact O-N 3.48Å; F17-F313 HydrophobicContact CE2-CB 4.4Å; F17-F313 AromaticContact CE2-CD1 3.85Å; F17-F313 HydrophobicContact CE2-CD1 3.85Å; F17-F313 AromaticContact CE2-CD2 3.52Å; F17-F313 HydrophobicContact CE2-CD2 3.52Å; F17-F313 AromaticContact CE2-CE1 3.96Å; F17-F313 HydrophobicContact CE2-CE1 3.96Å; F17-F313 AromaticContact CE2-CE2 3.63Å; F17-F313 HydrophobicContact CE2-CE2 3.63Å; F17-F313 AromaticContact CE2-CG 3.63Å; F17-F313 HydrophobicContact CE2-CG 3.63Å; F17-F313 AromaticContact CE2-CZ 3.86Å; F17-F313 HydrophobicContact CE2-CZ 3.86Å; F17-F313 AromaticContact CZ-CD2 3.73Å; F17-F313 HydrophobicContact CZ-CD2 3.73Å; F17-F313 AromaticContact CZ-CE2 3.68Å; F17-F313 HydrophobicContact CZ-CE2 3.68Å; F17-F313 HydrophobicContact CZ-CG 4.31Å; F17-F313 HydrophobicContact CZ-CZ 4.24Å; L36-F313 HydrophobicContact CB-CE1 4.21Å; L36-F313 HydrophobicContact CB-CZ 4.21Å; L36-F313 HydrophobicContact CD2-CE1 3.56Å; L36-F313 HydrophobicContact CD2-CZ 4.24Å; L36-F313 HydrophobicContact CG-CE1 4.43Å; Y48-F313 HydrophobicContact CG-CZ 4.23Å; M303-F313 HydrophobicContact SD-CD2 4.37Å; M303-F313 HydrophobicContact SD-CG 4.43Å; A305-F313 HydrophobicContact CB-CD1 4.03Å; A305-F313 HydrophobicContact CB-CE1 4.16Å; T311-F313 HydrophobicContact CG2-CE1 4.49Å |
| 314 | W | 97.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135 | -179.8 | -60.8 | 62.6 | 0 | 0 | 0 | 109.3 | F11 K12 P13 V264 L278 P279 I292 M303 L304 T306 | F11-W314 HydrophobicContact CD1-CB 4.05Å; K12-W314 VanDerWaalsContact C-CE3 3.42Å; K12-W314 VanDerWaalsContact CA-CE3 3.47Å; K12-W314 WeakPolarHBondContact O-CA 3.15Å; P13-W314 HydrophobicContact CB-CD2 4.04Å; P13-W314 HydrophobicContact CB-CG 4.33Å; P13-W314 HydrophobicContact CB-CZ2 4.31Å; P13-W314 HydrophobicContact CG-CD2 3.92Å; P13-W314 HydrophobicContact CG-CE3 4.07Å; P13-W314 HydrophobicContact CG-CH2 3.77Å; P13-W314 HydrophobicContact CG-CZ2 3.63Å; P13-W314 HydrophobicContact CG-CZ3 3.98Å; V264-W314 HydrophobicContact CG2-CH2 3.89Å; V264-W314 HydrophobicContact CG2-CZ2 3.85Å; V264-W314 HydrophobicContact CG2-CZ3 4.47Å; L278-W314 HydrophobicContact CB-CH2 4.39Å; L278-W314 HydrophobicContact CB-CZ3 3.79Å; P279-W314 WeakPolarHBondContact O-CH2 3.31Å; I292-W314 HydrophobicContact CD1-CZ2 4.45Å; M303-W314 WeakPolarHBondContact CA-O 3.24Å; L304-W314 HydrophobicContact CB-CB 3.96Å; L304-W314 HydrophobicContact CD2-CB 4.21Å; L304-W314 HydrophobicContact CD2-CD2 4.27Å; L304-W314 HydrophobicContact CD2-CG 4.11Å; L304-W314 HydrophobicContact CG-CB 4.25Å; L304-W314 HydrophobicContact CG-CG 4.31Å; L304-W314 PolarHBondContact N-O 3.31Å; L304-W314 PolarHBondContact O-N 3.24Å; T306-W314 HydrophobicContact CG2-CZ2 4.22Å; T306-W314 VanDerWaalsContact CG2-NE1 3.32Å; T306-W314 PolarHBondContact OG1-NE1 2.93Å |
| 315 | L | 96.5 | Very high | 89.8 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.4 | 174.9 | -66.1 | -179.7 | 0 | 0 | 0 | 109.1 | F11 K12 V14 M303 | F11-L315 WeakPolarHBondContact CA-O 3.34Å; K12-L315 PolarHBondContact N-O 2.85Å; K12-L315 VanDerWaalsContact N-O 3.08Å; K12-L315 PolarHBondContact O-N 2.73Å; K12-L315 VanDerWaalsContact O-N 3.15Å; V14-L315 HydrophobicContact CG1-CB 4.27Å; V14-L315 HydrophobicContact CG2-CB 4.13Å; V14-L315 HydrophobicContact CG2-CD1 3.86Å; V14-L315 HydrophobicContact CG2-CG 3.73Å; M303-L315 HydrophobicContact CB-CD2 3.9Å; M303-L315 HydrophobicContact CE-CD2 3.78Å; M303-L315 HydrophobicContact CG-CD2 3.95Å |
| 316 | P | 95.5 | Very high | 89.2 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 152.7 | 168.2 | 29.5 | -33.2 | 0 | 0 | 0 | 109.4 | T7 T10 F11 A302 L318 | T7-P316 HydrophobicContact CG2-CB 3.79Å; T7-P316 HydrophobicContact CG2-CG 4.25Å; T10-P316 WeakPolarHBondContact OG1-CB 3.36Å; F11-P316 HydrophobicContact CD2-CB 3.87Å; F11-P316 HydrophobicContact CE2-CB 3.73Å; F11-P316 HydrophobicContact CE2-CG 4.04Å; F11-P316 HydrophobicContact CZ-CB 4.3Å; F11-P316 HydrophobicContact CZ-CG 4.13Å; A302-P316 HydrophobicContact CB-CG 4.09Å; A302-P316 WeakPolarHBondContact O-CD 3.3Å; P316-L318 PolarHBondContact O-N 3.45Å |
| 317 | A | 89.7 | Confident | 88.6 | Confident | 42 Ų | 42 | 57 Ų | 57 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -60 | 139 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T10 E319 | T10-A317 HydrophobicContact CG2-CB 4.24Å; T10-A317 PolarHBondContact O-N 2.83Å; T10-A317 PolarHBondContact OG1-N 2.95Å; A317-E319 PolarHBondContact O-N 2.78Å |
| 318 | L | 79.3 | Confident | 88 | Confident | 166 Ų | 166 | 61.4 Ų | 61.4 | 87% | 0.869 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 128 | 168.4 | -64.1 | 168.9 | 0 | 0 | 0 | 107.1 | P316 E320 | P316-L318 PolarHBondContact O-N 3.45Å; L318-E320 PolarHBondContact O-N 2.96Å |
| 319 | E | 65.5 | Low | 87.5 | Confident | 150 Ų | 150 | 66.2 Ų | 66.2 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 120.7 | 164.5 | -67.3 | 179.8 | 174.3 | 0 | 0 | 106.2 | A317 | A317-E319 PolarHBondContact O-N 2.78Š|
| 320 | E | 49.6 | Very low | 87.1 | Confident | 268 Ų | 268 | 66.1 Ų | 66.1 | 100% | 1.252 | 34% | 0.339 | S | S | * | . | trans | -65.2 | 0 | 172.2 | -74.2 | -175.8 | 166.8 | 0 | 0 | 111.5 | L318 | L318-E320 PolarHBondContact O-N 2.96Š|
Retrieved 320 of 320 residues in 119.4 ms
(Link to these results)