| 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 | 80.5 | Confident | 90.8 | Very high | 65 Ų | 65 | 72.6 Ų | 72.6 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | 0 | 127.4 | 0 | -173.6 | 176.5 | -46.4 | 0 | 0 | 109.7 | L6 I257 F280 Y321 Y322 | M1-L6 HydrophobicContact SD-CD1 3.91Å; M1-I257 HydrophobicContact CE-CD1 3.8Å; M1-I257 HydrophobicContact CE-CG1 4.09Å; M1-I257 HydrophobicContact SD-CD1 3.8Å; M1-I257 HydrophobicContact SD-CG1 3.95Å; M1-F280 HydrophobicContact CG-CE1 4.42Å; M1-F280 HydrophobicContact CG-CZ 4.19Å; M1-F280 HydrophobicContact SD-CE1 4.2Å; M1-F280 HydrophobicContact SD-CE2 4.29Å; M1-F280 HydrophobicContact SD-CZ 3.45Å; M1-F280 WeakPolarHBondContact SD-CZ 3.28Å; M1-Y321 HydrophobicContact CB-CD1 4.38Å; M1-Y321 HydrophobicContact CB-CD2 4.1Å; M1-Y321 HydrophobicContact CB-CE2 4.42Å; M1-Y321 HydrophobicContact CB-CG 4.08Å; M1-Y321 HydrophobicContact CE-CD2 3.97Å; M1-Y321 HydrophobicContact CE-CG 4.29Å; M1-Y321 HydrophobicContact CG-CD2 3.58Å; M1-Y321 HydrophobicContact CG-CE2 3.68Å; M1-Y321 HydrophobicContact CG-CG 4.08Å; M1-Y321 HydrophobicContact SD-CD2 4.21Å; M1-Y322 HydrophobicContact CE-CE1 4.29Å; M1-Y322 HydrophobicContact CE-CE2 3.51Å; M1-Y322 WeakPolarHBondContact CE-OH 3.29Å | |||
| 2 | P | 83.9 | Confident | 91.1 | Very high | 54 Ų | 54 | 77.9 Ų | 77.9 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -70.9 | 146.9 | 175.4 | 29.3 | -29 | 0 | 0 | 0 | 110.3 | K4 E5 F280 Y321 | P2-K4 PolarHBondContact O-N 2.84Å; P2-E5 WeakPolarHBondContact CG-O 2.89Å; P2-F280 WeakPolarHBondContact O-CE1 3.49Å; P2-Y321 WeakPolarHBondContact CD-OH 3.15Å; P2-Y321 HydrophobicContact CG-CE1 4.29Å; P2-Y321 HydrophobicContact CG-CE2 4.45Å; P2-Y321 WeakPolarHBondContact CG-OH 3.28Å | ||
| 3 | P | 86 | Confident | 91.4 | Very high | 53 Ų | 53 | 75.5 Ų | 75.5 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -83.8 | -3.2 | -164.6 | 32.1 | -38.1 | 0 | 0 | 0 | 115.8 | S276 | P3-S276 VanDerWaalsContact CB-OG 3.26Å; P3-S276 WeakPolarHBondContact CB-OG 3.42Å |
| 4 | K | 87.3 | Confident | 91.6 | Very high | 148 Ų | 148 | 70.4 Ų | 70.4 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -115.2 | -42 | -171.8 | -69.7 | -174.1 | 178.5 | -177.7 | 0 | 113.1 | P2 A281 | P2-K4 PolarHBondContact O-N 2.84Å; K4-A281 PolarHBondContact O-N 3.23Å; K4-A281 VanDerWaalsContact O-N 3.08Å |
| 5 | E | 92.2 | Very high | 91.4 | Very high | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | trans | -123.9 | 123.8 | -175.1 | -69.3 | -179.6 | -173.7 | 0 | 0 | 110.5 | P2 N282 | P2-E5 WeakPolarHBondContact CG-O 2.89Å; E5-N282 WeakPolarHBondContact CA-OD1 3.1Å | ||
| 6 | L | 94.2 | Very high | 91 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -81.4 | 131.1 | 173.8 | -174.2 | 66.3 | 0 | 0 | 0 | 108.7 | M1 F8 I257 L271 F280 N282 L319 Y321 | M1-L6 HydrophobicContact SD-CD1 3.91Å; L6-F8 HydrophobicContact CB-CD1 4.02Å; L6-F8 HydrophobicContact CB-CE1 4.49Å; L6-F8 HydrophobicContact CD2-CD1 3.91Å; L6-F8 HydrophobicContact CD2-CG 4.5Å; L6-F8 HydrophobicContact CG-CB 4.46Å; L6-F8 HydrophobicContact CG-CD1 3.86Å; L6-F8 WeakPolarHBondContact O-CD1 3.28Å; L6-I257 HydrophobicContact CD1-CD1 3.97Å; L6-L271 HydrophobicContact CD2-CD1 3.51Å; L6-F280 HydrophobicContact CB-CB 4.38Å; L6-F280 HydrophobicContact CB-CD1 3.82Å; L6-F280 HydrophobicContact CB-CD2 4.39Å; L6-F280 HydrophobicContact CB-CE1 4.14Å; L6-F280 HydrophobicContact CB-CG 3.95Å; L6-F280 HydrophobicContact CD1-CE1 4.38Å; L6-F280 HydrophobicContact CD1-CE2 4.31Å; L6-F280 HydrophobicContact CD1-CZ 4.13Å; L6-N282 PolarHBondContact N-OD1 3.34Å; L6-N282 PolarHBondContact O-ND2 3.46Å; L6-L319 HydrophobicContact CD1-CD2 4.43Å; L6-L319 HydrophobicContact CD2-CD2 3.93Å; L6-L319 HydrophobicContact CG-CD2 4.35Å; L6-Y321 HydrophobicContact CD1-CD2 4.49Å | ||
| 7 | Q | 94.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 69 Ų | 69 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | trans | -92.6 | 114.8 | 170.2 | -76.7 | 176.6 | 0.5 | 0 | 0 | 108 | L320 Y321 | Q7-L320 HydrophobicContact CB-CB 4.09Å; Q7-L320 HydrophobicContact CB-CD1 4.18Å; Q7-L320 HydrophobicContact CB-CG 4.49Å; Q7-L320 PolarHBondContact O-N 2.71Å; Q7-Y321 HydrophobicContact CB-CD2 4.43Å; Q7-Y321 HydrophobicContact CB-CE2 3.62Å; Q7-Y321 HydrophobicContact CG-CE2 4.17Å; Q7-Y321 WeakPolarHBondContact CG-OH 3.41Å; Q7-Y321 PolarHBondContact NE2-OH 3.4Å; Q7-Y321 PolarHBondContact OE1-OH 2.81Å | ||
| 8 | F | 95.3 | Very high | 89.5 | Confident | 28 Ų | 28 | 73.5 Ų | 73.5 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 158.5 | -178.5 | 66.1 | -87.7 | 0 | 0 | 0 | 110.8 | L6 F283 L285 Y317 R318 L319 | L6-F8 HydrophobicContact CB-CD1 4.02Å; L6-F8 HydrophobicContact CB-CE1 4.49Å; L6-F8 HydrophobicContact CD2-CD1 3.91Å; L6-F8 HydrophobicContact CD2-CG 4.5Å; L6-F8 HydrophobicContact CG-CB 4.46Å; L6-F8 HydrophobicContact CG-CD1 3.86Å; L6-F8 WeakPolarHBondContact O-CD1 3.28Å; F8-F283 HydrophobicContact CD1-CD2 4.4Å; F8-F283 HydrophobicContact CE1-CB 4.47Å; F8-F283 AromaticContact CE1-CD2 3.86Å; F8-F283 HydrophobicContact CE1-CD2 3.86Å; F8-F283 HydrophobicContact CE2-CD2 4.03Å; F8-F283 HydrophobicContact CE2-CE2 4.24Å; F8-F283 AromaticContact CZ-CD2 3.65Å; F8-F283 HydrophobicContact CZ-CD2 3.65Å; F8-F283 HydrophobicContact CZ-CE2 4.31Å; F8-L285 HydrophobicContact CE2-CD1 4.06Å; F8-L285 HydrophobicContact CZ-CD1 3.56Å; F8-L285 HydrophobicContact CZ-CG 3.85Å; F8-Y317 AromaticContact CD2-CD1 3.84Å; F8-Y317 HydrophobicContact CD2-CD1 3.84Å; F8-Y317 HydrophobicContact CD2-CE1 4.4Å; F8-Y317 HydrophobicContact CE2-CD1 4.16Å; F8-Y317 HydrophobicContact CE2-CE1 4.27Å; F8-R318 CarbonylContact C-O 3.5Å; F8-R318 WeakPolarHBondContact CA-O 3.39Å; F8-R318 VanDerWaalsContact CB-O 3.26Å; F8-R318 WeakPolarHBondContact CB-O 3.41Å; F8-L319 HydrophobicContact CB-CD2 3.82Å |
| 9 | E | 94.9 | Very high | 88.7 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138 | 174.3 | -67 | 175.4 | 176.7 | 0 | 0 | 109.4 | Y317 R318 L320 | E9-Y317 CarbonylContact O-C 3.54Å; E9-Y317 VanDerWaalsContact O-CA 3.29Å; E9-Y317 WeakPolarHBondContact O-CA 3.34Å; E9-R318 HydrophobicContact CB-CB 4.31Å; E9-R318 PolarHBondContact N-O 3.48Å; E9-R318 PolarHBondContact O-N 3.15Å; E9-L320 HydrophobicContact CG-CD1 4.12Å; E9-L320 HydrophobicContact CG-CD2 4.16Å; E9-L320 HydrophobicContact CG-CG 4.43Å |
| 10 | H | 94.9 | Very high | 87.4 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 32% | 0.324 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.5 | 170.6 | -177.1 | -154.4 | 0 | 0 | 0 | 108.5 | D13 H288 L316 Y317 | H10-D13 IonicContact CD2-OD1 3.13Å; H10-D13 IonicContact CE1-OD1 3.16Å; H10-D13 IonicContact NE2-OD1 2.7Å; H10-D13 PolarHBondContact NE2-OD1 2.85Å; H10-D13 IonicContact NE2-OD2 3.36Å; H10-H288 WeakPolarHBondContact CB-CE1 3.31Å; H10-H288 AromaticContact CG-CE1 3.62Å; H10-H288 AromaticContact CG-ND1 3.55Å; H10-H288 AromaticContact ND1-CE1 3.33Å; H10-H288 PolarHBondContact ND1-CE1 2.88Å; H10-H288 VanDerWaalsContact ND1-CE1 3.33Å; H10-H288 AromaticContact ND1-ND1 3.16Å; H10-H288 PolarHBondContact ND1-ND1 3.34Å; H10-H288 VanDerWaalsContact ND1-ND1 3.16Å; H10-L316 PolarHBondContact CD2-O 3.47Å; H10-Y317 HydrophobicContact CB-CD1 3.97Å; H10-Y317 HydrophobicContact CB-CE1 3.78Å; H10-Y317 AromaticContact CD2-CE1 3.87Å; H10-Y317 AromaticContact CG-CE1 3.86Å |
| 11 | L | 95.2 | Very high | 86.6 | Confident | 36 Ų | 36 | 81 Ų | 81 | 19% | 0.188 | 41% | 0.405 | C | S | . | . | trans | -94 | -176.1 | 178.4 | -58.6 | -174.7 | 0 | 0 | 0 | 110.6 | D13 Y304 L316 R318 | L11-D13 PolarHBondContact O-N 2.89Å; L11-Y304 HydrophobicContact CD1-CD1 3.89Å; L11-Y304 HydrophobicContact CD1-CE1 3.55Å; L11-L316 HydrophobicContact CB-CD2 4.31Å; L11-L316 HydrophobicContact CB-CG 4.36Å; L11-L316 HydrophobicContact CD1-CD2 4.09Å; L11-L316 HydrophobicContact CD1-CG 4.3Å; L11-L316 PolarHBondContact N-O 3.18Å; L11-R318 HydrophobicContact CD1-CB 3.95Å; L11-R318 HydrophobicContact CD2-CB 4.17Å; L11-R318 HydrophobicContact CG-CB 4.05Å | ||
| 12 | R | 94.7 | Very high | 86.4 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 125.5 | 172.3 | -168.6 | 173.2 | -172.1 | 164.4 | -11.8 | 110.6 | K53 E54 N55 | R12-K53 VanDerWaalsContact CB-O 3.28Å; R12-K53 WeakPolarHBondContact CB-O 3.29Å; R12-K53 WeakPolarHBondContact CD-O 3.37Å; R12-E54 IonicContact CZ-OE2 3.65Å; R12-E54 IonicContact NH1-OE1 3.26Å; R12-E54 PolarHBondContact NH1-OE1 3.3Å; R12-E54 VanDerWaalsContact NH1-OE1 3.08Å; R12-E54 IonicContact NH1-OE2 3.9Å; R12-E54 PolarHBondContact NH1-OE2 3.27Å; R12-E54 IonicContact NH2-OE2 3.6Å; R12-N55 PolarHBondContact O-ND2 2.85Å |
| 13 | D | 94.7 | Very high | 86.5 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 151.2 | 176.2 | -69 | -10.7 | 0 | 0 | 0 | 111.2 | H10 L11 S15 L314 K315 | H10-D13 IonicContact CD2-OD1 3.13Å; H10-D13 IonicContact CE1-OD1 3.16Å; H10-D13 IonicContact NE2-OD1 2.7Å; H10-D13 PolarHBondContact NE2-OD1 2.85Å; H10-D13 IonicContact NE2-OD2 3.36Å; L11-D13 PolarHBondContact O-N 2.89Å; D13-S15 PolarHBondContact O-N 2.74Å; D13-L314 WeakPolarHBondContact CA-O 3.37Å; D13-L314 WeakPolarHBondContact CB-O 3.03Å; D13-K315 VanDerWaalsContact OD1-CA 3.3Å; D13-K315 WeakPolarHBondContact OD1-CA 3.41Å; D13-K315 IonicContact OD2-NZ 3.62Å; D13-K315 PolarHBondContact OD2-NZ 3.27Å |
| 14 | F | 93.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 1% | 0.013 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 119.3 | 169.5 | -59.2 | -82.1 | 0 | 0 | 0 | 108.8 | T16 F36 Y48 V50 N55 C306 L314 L316 | F14-T16 PolarHBondContact O-N 3.1Å; F14-F36 HydrophobicContact CD1-CD1 4.24Å; F14-F36 AromaticContact CD2-CD1 3.81Å; F14-F36 HydrophobicContact CD2-CD1 3.81Å; F14-F36 AromaticContact CD2-CE1 3.74Å; F14-F36 HydrophobicContact CD2-CE1 3.74Å; F14-F36 HydrophobicContact CE1-CB 4.21Å; F14-F36 HydrophobicContact CE1-CD1 4.04Å; F14-F36 HydrophobicContact CE1-CG 4.4Å; F14-F36 AromaticContact CE2-CD1 3.55Å; F14-F36 HydrophobicContact CE2-CD1 3.55Å; F14-F36 AromaticContact CE2-CE1 3.73Å; F14-F36 HydrophobicContact CE2-CE1 3.73Å; F14-F36 AromaticContact CE2-CG 4Å; F14-F36 HydrophobicContact CE2-CG 4Å; F14-F36 HydrophobicContact CE2-CZ 4.31Å; F14-F36 HydrophobicContact CG-CD1 4.14Å; F14-F36 HydrophobicContact CG-CE1 4.33Å; F14-F36 HydrophobicContact CZ-CB 3.93Å; F14-F36 AromaticContact CZ-CD1 3.69Å; F14-F36 HydrophobicContact CZ-CD1 3.69Å; F14-F36 HydrophobicContact CZ-CE1 4.34Å; F14-F36 AromaticContact CZ-CG 3.86Å; F14-F36 HydrophobicContact CZ-CG 3.86Å; F14-Y48 HydrophobicContact CB-CD1 3.97Å; F14-Y48 HydrophobicContact CB-CD2 4.49Å; F14-Y48 HydrophobicContact CB-CE1 4.07Å; F14-Y48 HydrophobicContact CB-CG 4.2Å; F14-Y48 AromaticContact CD1-CD1 3.87Å; F14-Y48 HydrophobicContact CD1-CD1 3.87Å; F14-Y48 HydrophobicContact CD1-CD2 4.3Å; F14-Y48 AromaticContact CD1-CG 3.61Å; F14-Y48 HydrophobicContact CD1-CG 3.61Å; F14-Y48 HydrophobicContact CE1-CG 4.33Å; F14-Y48 HydrophobicContact CG-CD1 4.35Å; F14-Y48 HydrophobicContact CG-CG 4.18Å; F14-V50 HydrophobicContact CE1-CG2 4.14Å; F14-V50 HydrophobicContact CZ-CG2 3.96Å; F14-N55 HydrophobicContact CD1-CB 3.59Å; F14-N55 HydrophobicContact CE1-CB 3.7Å; F14-N55 HydrophobicContact CG-CB 4.45Å; F14-C306 HydrophobicContact CE2-CB 4.34Å; F14-L314 HydrophobicContact CB-CB 3.79Å; F14-L314 HydrophobicContact CB-CD1 3.86Å; F14-L314 HydrophobicContact CD2-CB 3.99Å; F14-L314 HydrophobicContact CG-CB 4.38Å; F14-L314 PolarHBondContact N-O 2.85Å; F14-L316 HydrophobicContact CD2-CB 4.4Å; F14-L316 HydrophobicContact CE2-CB 3.99Å; F14-L316 HydrophobicContact CE2-CD1 3.89Å; F14-L316 HydrophobicContact CE2-CD2 4.21Å; F14-L316 HydrophobicContact CE2-CG 4.24Å; F14-L316 HydrophobicContact CZ-CD1 4.11Å; F14-L316 HydrophobicContact CZ-CD2 3.99Å; F14-L316 HydrophobicContact CZ-CG 4.46Å |
| 15 | S | 89.1 | Confident | 86.8 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 121.6 | -175.8 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | D13 Y48 | D13-S15 PolarHBondContact O-N 2.74Å; S15-Y48 WeakPolarHBondContact O-CE1 3.4Å |
| 16 | T | 85 | Confident | 86.9 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | trans | -106.2 | 11.1 | 174.1 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | F14 Q18 L19 F41 G312 L314 | F14-T16 PolarHBondContact O-N 3.1Å; T16-Q18 PolarHBondContact O-N 2.69Å; T16-L19 HydrophobicContact CG2-CD1 4.05Å; T16-L19 WeakPolarHBondContact O-CA 3.29Å; T16-L19 VanDerWaalsContact O-CB 3.27Å; T16-L19 WeakPolarHBondContact O-CB 3.28Å; T16-L19 PolarHBondContact O-N 2.68Å; T16-L19 VanDerWaalsContact O-O 3.11Å; T16-F41 HydrophobicContact CG2-CE1 3.82Å; T16-F41 HydrophobicContact CG2-CZ 3.8Å; T16-G312 WeakPolarHBondContact CB-O 3.26Å; T16-G312 WeakPolarHBondContact CG2-O 3.08Å; T16-G312 PolarHBondContact OG1-O 3.08Å; T16-L314 HydrophobicContact CG2-CD1 3.69Å; T16-L314 HydrophobicContact CG2-CG 4.1Å | ||
| 17 | A | 79.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 65 Ų | 65 | 72% | 0.719 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L19 | A17-L19 VanDerWaalsContact C-N 3.29Š|
| 18 | Q | 75.1 | Confident | 87.2 | Confident | 150 Ų | 150 | 61 Ų | 61 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.1 | 177.4 | -60.8 | 178.8 | 3.6 | 0 | 0 | 112.8 | T16 | T16-Q18 PolarHBondContact O-N 2.69Š|
| 19 | L | 74.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -88.9 | 110.2 | 175.8 | -48.9 | 174.5 | 0 | 0 | 0 | 105.3 | T16 A17 Q21 F41 C46 | T16-L19 HydrophobicContact CG2-CD1 4.05Å; T16-L19 WeakPolarHBondContact O-CA 3.29Å; T16-L19 VanDerWaalsContact O-CB 3.27Å; T16-L19 WeakPolarHBondContact O-CB 3.28Å; T16-L19 PolarHBondContact O-N 2.68Å; T16-L19 VanDerWaalsContact O-O 3.11Å; A17-L19 VanDerWaalsContact C-N 3.29Å; L19-Q21 PolarHBondContact O-N 2.71Å; L19-F41 HydrophobicContact CB-CB 4.47Å; L19-F41 HydrophobicContact CB-CD1 4.41Å; L19-F41 HydrophobicContact CD1-CB 4.03Å; L19-F41 HydrophobicContact CD1-CD1 3.67Å; L19-F41 HydrophobicContact CD1-CD2 3.66Å; L19-F41 HydrophobicContact CD1-CE1 3.96Å; L19-F41 HydrophobicContact CD1-CE2 3.95Å; L19-F41 HydrophobicContact CD1-CG 3.52Å; L19-F41 HydrophobicContact CD1-CZ 4.1Å; L19-C46 VanDerWaalsContact CD1-SG 3.59Å |
| 20 | K | 63.1 | Low | 87.4 | Confident | 199 Ų | 199 | 55.2 Ų | 55.2 | 87% | 0.865 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.5 | 50.8 | -172.7 | -62.7 | -176.9 | 176.1 | -176.8 | 0 | 113.8 | ||
| 21 | Q | 69.2 | Low | 87.4 | Confident | 166 Ų | 166 | 57.3 Ų | 57.3 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 78.8 | 145.9 | -164.6 | -53.4 | 169.3 | -17.1 | 0 | 0 | 114.2 | L19 N42 | L19-Q21 PolarHBondContact O-N 2.71Å; Q21-N42 PolarHBondContact O-ND2 2.95Å |
| 22 | G | 77 | Confident | 87.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | trans | 173.6 | 160.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S311 G312 | G22-S311 CarbonylContact O-C 3.53Å; G22-G312 WeakPolarHBondContact O-CA 3.49Å; G22-G312 PolarHBondContact O-N 3.19Å; G22-G312 VanDerWaalsContact O-N 3.09Å | ||
| 23 | C | 86.2 | Confident | 87.1 | Confident | 26 Ų | 26 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | trans | -98.4 | 127.1 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | K25 G40 S310 | C23-K25 VanDerWaalsContact C-N 3.27Å; C23-K25 HydrophobicContact CB-CG 4.24Å; C23-K25 PolarHBondContact O-N 3.09Å; C23-K25 VanDerWaalsContact SG-CG 3.57Å; C23-G40 CarbonylContact O-C 3.55Å; C23-G40 VanDerWaalsContact O-CA 3.28Å; C23-G40 WeakPolarHBondContact O-CA 3.17Å; C23-S310 WeakPolarHBondContact CA-O 3.24Å | ||
| 24 | A | 88.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -79.7 | 77 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A39 F41 Q294 N309 L314 | A24-A39 CarbonylContact C-O 3.59Å; A24-F41 HydrophobicContact CB-CE1 4.23Å; A24-F41 HydrophobicContact CB-CZ 3.94Å; A24-Q294 VanDerWaalsContact O-CB 3.24Å; A24-Q294 WeakPolarHBondContact O-CB 2.86Å; A24-N309 PolarHBondContact N-O 3.21Å; A24-N309 VanDerWaalsContact N-O 3.15Å; A24-L314 HydrophobicContact CB-CD2 3.64Å | ||
| 25 | K | 91.7 | Very high | 87.3 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | trans | -71 | -30.8 | -171.4 | -67.2 | -178.3 | -178.9 | -177.8 | 0 | 113.7 | C23 A39 S67 | C23-K25 VanDerWaalsContact C-N 3.27Å; C23-K25 HydrophobicContact CB-CG 4.24Å; C23-K25 PolarHBondContact O-N 3.09Å; C23-K25 VanDerWaalsContact SG-CG 3.57Å; K25-A39 PolarHBondContact N-O 3.07Å; K25-S67 PolarHBondContact NZ-OG 2.92Å | ||
| 26 | N | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.7 | -178 | 169 | -111.7 | 0 | 0 | 0 | 110.2 | A39 K69 A71 R248 D295 | N26-A39 HydrophobicContact CB-CB 4.37Å; N26-A39 PolarHBondContact N-O 2.87Å; N26-A39 PolarHBondContact O-N 2.78Å; N26-K69 WeakPolarHBondContact CB-O 2.94Å; N26-A71 PolarHBondContact OD1-N 2.89Å; N26-A71 PolarHBondContact OD1-O 3.22Å; N26-R248 PolarHBondContact ND2-NH1 2.83Å; N26-D295 WeakPolarHBondContact CA-OD2 3.04Å; N26-D295 PolarHBondContact ND2-OD2 3.38Å |
| 27 | I | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.9 | 179.3 | 66.5 | 179.1 | 0 | 0 | 0 | 110.1 | F36 M37 A38 D295 D297 C306 L314 | I27-F36 HydrophobicContact CB-CE2 3.75Å; I27-F36 HydrophobicContact CB-CZ 3.49Å; I27-F36 VanDerWaalsContact CB-CZ 3.49Å; I27-F36 HydrophobicContact CD1-CE2 4.23Å; I27-F36 HydrophobicContact CD1-CZ 3.97Å; I27-F36 HydrophobicContact CG1-CE2 4.25Å; I27-F36 HydrophobicContact CG1-CZ 4.18Å; I27-F36 HydrophobicContact CG2-CE1 4.49Å; I27-F36 HydrophobicContact CG2-CZ 3.76Å; I27-M37 CarbonylContact C-O 3.53Å; I27-M37 VanDerWaalsContact CA-O 3.25Å; I27-M37 WeakPolarHBondContact CA-O 3.26Å; I27-A38 HydrophobicContact CG2-CB 3.9Å; I27-D295 HydrophobicContact CD1-CB 4.37Å; I27-D295 HydrophobicContact CG1-CB 3.91Å; I27-D295 PolarHBondContact N-OD2 3.33Å; I27-D297 HydrophobicContact CG1-CB 4.2Å; I27-C306 HydrophobicContact CD1-CB 4.08Å; I27-C306 VanDerWaalsContact CD1-O 3.29Å; I27-C306 WeakPolarHBondContact CD1-O 3.37Å; I27-L314 HydrophobicContact CG2-CD2 3.81Å |
| 28 | E | 97.7 | Very high | 89 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 136.2 | 178.4 | -158.4 | -170.5 | 161.6 | 0 | 0 | 111.6 | F36 M37 H72 F73 D297 | E28-F36 WeakPolarHBondContact O-CD2 3.21Å; E28-M37 HydrophobicContact CB-CE 3.81Å; E28-M37 PolarHBondContact N-O 3.09Å; E28-M37 PolarHBondContact O-N 2.79Å; E28-H72 VanDerWaalsContact OE2-CA 3.26Å; E28-H72 WeakPolarHBondContact OE2-CA 3.44Å; E28-H72 IonicContact OE2-ND1 2.59Å; E28-F73 HydrophobicContact CB-CD2 4.24Å; E28-F73 HydrophobicContact CB-CE2 4.32Å; E28-F73 HydrophobicContact CG-CD2 4.17Å; E28-F73 WeakPolarHBondContact OE2-CD2 3.36Å; E28-F73 PolarHBondContact OE2-N 3.48Å; E28-D297 VanDerWaalsContact CA-OD2 3.31Å; E28-D297 WeakPolarHBondContact CA-OD2 3.49Å |
| 29 | F | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.9 | 166.7 | -74.9 | -79.2 | 0 | 0 | 0 | 110.8 | K31 F36 V50 D297 C306 L316 Y325 | F29-K31 PolarHBondContact O-N 2.93Å; F29-F36 HydrophobicContact CD1-CB 4.15Å; F29-F36 AromaticContact CD1-CD2 3.71Å; F29-F36 HydrophobicContact CD1-CD2 3.71Å; F29-F36 HydrophobicContact CD1-CG 4.36Å; F29-F36 HydrophobicContact CD2-CD2 4.07Å; F29-F36 HydrophobicContact CD2-CE2 4.27Å; F29-F36 HydrophobicContact CE1-CB 4.2Å; F29-F36 AromaticContact CE1-CD2 3.71Å; F29-F36 HydrophobicContact CE1-CD2 3.71Å; F29-F36 HydrophobicContact CE1-CE2 4.44Å; F29-F36 HydrophobicContact CE1-CG 4.23Å; F29-F36 HydrophobicContact CE2-CD2 4.06Å; F29-F36 HydrophobicContact CE2-CE2 4.07Å; F29-F36 AromaticContact CG-CD2 3.92Å; F29-F36 HydrophobicContact CG-CD2 3.92Å; F29-F36 AromaticContact CZ-CD2 3.9Å; F29-F36 HydrophobicContact CZ-CD2 3.9Å; F29-F36 HydrophobicContact CZ-CE2 4.18Å; F29-V50 HydrophobicContact CD1-CG2 4.19Å; F29-V50 HydrophobicContact CE1-CG1 4.12Å; F29-V50 HydrophobicContact CE1-CG2 3.96Å; F29-D297 HydrophobicContact CD2-CB 4.01Å; F29-D297 HydrophobicContact CE2-CB 4.46Å; F29-D297 WeakPolarHBondContact CE2-O 3.47Å; F29-D297 PolarHBondContact N-OD2 3.49Å; F29-C306 HydrophobicContact CE2-CB 3.73Å; F29-C306 HydrophobicContact CZ-CB 3.69Å; F29-L316 HydrophobicContact CE1-CD1 4.39Å; F29-L316 HydrophobicContact CZ-CD1 3.89Å; F29-Y325 WeakPolarHBondContact CB-OH 3.32Å; F29-Y325 AromaticContact CD1-CE2 3.58Å; F29-Y325 HydrophobicContact CD1-CE2 3.58Å; F29-Y325 AromaticContact CD1-CZ 3.92Å; F29-Y325 HydrophobicContact CE1-CE2 4.19Å; F29-Y325 HydrophobicContact CG-CE2 4.48Å |
| 30 | H | 97 | Very high | 90.3 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | trans | -64.4 | 131.4 | 176.1 | -173.2 | -91.9 | 0 | 0 | 0 | 111.9 | R32 S33 V35 F73 G77 Y325 | H30-R32 VanDerWaalsContact C-N 3.28Å; H30-R32 PolarHBondContact ND1-N 2.83Å; H30-R32 PolarHBondContact O-N 2.94Å; H30-R32 VanDerWaalsContact O-N 3.14Å; H30-S33 PolarHBondContact CE1-OG 3.14Å; H30-S33 PolarHBondContact ND1-N 3.04Å; H30-S33 PolarHBondContact ND1-OG 3.26Å; H30-V35 HydrophobicContact CB-CB 3.96Å; H30-V35 VanDerWaalsContact CB-O 3.29Å; H30-V35 WeakPolarHBondContact CB-O 3.27Å; H30-V35 PolarHBondContact N-O 3.26Å; H30-F73 HydrophobicContact CB-CD2 4.32Å; H30-F73 HydrophobicContact CB-CE2 3.88Å; H30-F73 HydrophobicContact CB-CZ 4.03Å; H30-F73 AromaticContact CD2-CD1 3.63Å; H30-F73 AromaticContact CD2-CE1 3.67Å; H30-F73 AromaticContact CD2-CG 3.85Å; H30-F73 AromaticContact CD2-CZ 3.92Å; H30-G77 WeakPolarHBondContact NE2-CA 3.36Å; H30-G77 PolarHBondContact NE2-O 3.22Å; H30-Y325 PolarHBondContact N-OH 3.08Å; H30-Y325 WeakPolarHBondContact O-CE1 3.21Å; H30-Y325 PolarHBondContact O-OH 3.21Å | ||
| 31 | K | 93.3 | Very high | 91.1 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -68.9 | -19.6 | -169.2 | -57.8 | -54.3 | -178.6 | -163.5 | 0 | 115.8 | F29 P300 | F29-K31 PolarHBondContact O-N 2.93Å; K31-P300 HydrophobicContact CD-CG 4.25Å |
| 32 | R | 91.4 | Very high | 91.6 | Very high | 183 Ų | 183 | 35.3 Ų | 35.3 | 69% | 0.691 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -124.3 | -13 | -170.6 | -65.1 | 178.8 | 173.7 | 175.1 | -3.8 | 115.4 | H30 D76 | H30-R32 VanDerWaalsContact C-N 3.28Å; H30-R32 PolarHBondContact ND1-N 2.83Å; H30-R32 PolarHBondContact O-N 2.94Å; H30-R32 VanDerWaalsContact O-N 3.14Å; R32-D76 PolarHBondContact NH1-O 2.92Å |
| 33 | S | 92.9 | Very high | 92 | Very high | 46 Ų | 46 | 35.8 Ų | 35.8 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -137 | 155.5 | -174.7 | 68.6 | 0 | 0 | 0 | 0 | 108.5 | H30 V35 Y325 | H30-S33 PolarHBondContact CE1-OG 3.14Å; H30-S33 PolarHBondContact ND1-N 3.04Å; H30-S33 PolarHBondContact ND1-OG 3.26Å; S33-V35 PolarHBondContact O-N 2.8Å; S33-V35 WeakPolarHBondContact OG-CG2 3.5Å; S33-Y325 VanDerWaalsContact O-CE1 3.27Å; S33-Y325 WeakPolarHBondContact O-CE1 3.29Å; S33-Y325 VanDerWaalsContact O-CZ 3.22Å; S33-Y325 PolarHBondContact O-OH 3.34Å; S33-Y325 VanDerWaalsContact O-OH 3.09Å |
| 34 | Q | 95.3 | Very high | 92.1 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -77.2 | 57 | -179.8 | -66.3 | 178.7 | 2.9 | 0 | 0 | 111 | Q49 V50 Y325 | Q34-Q49 WeakPolarHBondContact O-CA 3.29Å; Q34-V50 HydrophobicContact CB-CB 4.45Å; Q34-V50 PolarHBondContact O-N 3.38Å; Q34-V50 PolarHBondContact OE1-O 3.21Å; Q34-Y325 HydrophobicContact CB-CD2 4.36Å; Q34-Y325 HydrophobicContact CG-CD1 4.39Å; Q34-Y325 HydrophobicContact CG-CD2 4.07Å; Q34-Y325 HydrophobicContact CG-CG 3.92Å |
| 35 | V | 96.7 | Very high | 92.4 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.9 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | H30 S33 F47 Y48 L58 Y325 | H30-V35 HydrophobicContact CB-CB 3.96Å; H30-V35 VanDerWaalsContact CB-O 3.29Å; H30-V35 WeakPolarHBondContact CB-O 3.27Å; H30-V35 PolarHBondContact N-O 3.26Å; S33-V35 PolarHBondContact O-N 2.8Å; S33-V35 WeakPolarHBondContact OG-CG2 3.5Å; V35-F47 HydrophobicContact CG1-CB 4.31Å; V35-F47 HydrophobicContact CG1-CD1 4.32Å; V35-Y48 CarbonylContact C-O 3.54Å; V35-Y48 VanDerWaalsContact CA-O 3.29Å; V35-Y48 WeakPolarHBondContact CA-O 3.41Å; V35-L58 HydrophobicContact CG2-CD1 4.21Å; V35-Y325 PolarHBondContact O-OH 3.39Å |
| 36 | F | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.2 | 176.6 | 173 | -106.4 | 0 | 0 | 0 | 109.6 | F14 I27 E28 F29 A38 F47 Y48 V50 C306 L314 | F14-F36 HydrophobicContact CD1-CD1 4.24Å; F14-F36 AromaticContact CD2-CD1 3.81Å; F14-F36 HydrophobicContact CD2-CD1 3.81Å; F14-F36 AromaticContact CD2-CE1 3.74Å; F14-F36 HydrophobicContact CD2-CE1 3.74Å; F14-F36 HydrophobicContact CE1-CB 4.21Å; F14-F36 HydrophobicContact CE1-CD1 4.04Å; F14-F36 HydrophobicContact CE1-CG 4.4Å; F14-F36 AromaticContact CE2-CD1 3.55Å; F14-F36 HydrophobicContact CE2-CD1 3.55Å; F14-F36 AromaticContact CE2-CE1 3.73Å; F14-F36 HydrophobicContact CE2-CE1 3.73Å; F14-F36 AromaticContact CE2-CG 4Å; F14-F36 HydrophobicContact CE2-CG 4Å; F14-F36 HydrophobicContact CE2-CZ 4.31Å; F14-F36 HydrophobicContact CG-CD1 4.14Å; F14-F36 HydrophobicContact CG-CE1 4.33Å; F14-F36 HydrophobicContact CZ-CB 3.93Å; F14-F36 AromaticContact CZ-CD1 3.69Å; F14-F36 HydrophobicContact CZ-CD1 3.69Å; F14-F36 HydrophobicContact CZ-CE1 4.34Å; F14-F36 AromaticContact CZ-CG 3.86Å; F14-F36 HydrophobicContact CZ-CG 3.86Å; I27-F36 HydrophobicContact CB-CE2 3.75Å; I27-F36 HydrophobicContact CB-CZ 3.49Å; I27-F36 VanDerWaalsContact CB-CZ 3.49Å; I27-F36 HydrophobicContact CD1-CE2 4.23Å; I27-F36 HydrophobicContact CD1-CZ 3.97Å; I27-F36 HydrophobicContact CG1-CE2 4.25Å; I27-F36 HydrophobicContact CG1-CZ 4.18Å; I27-F36 HydrophobicContact CG2-CE1 4.49Å; I27-F36 HydrophobicContact CG2-CZ 3.76Å; E28-F36 WeakPolarHBondContact O-CD2 3.21Å; F29-F36 HydrophobicContact CD1-CB 4.15Å; F29-F36 AromaticContact CD1-CD2 3.71Å; F29-F36 HydrophobicContact CD1-CD2 3.71Å; F29-F36 HydrophobicContact CD1-CG 4.36Å; F29-F36 HydrophobicContact CD2-CD2 4.07Å; F29-F36 HydrophobicContact CD2-CE2 4.27Å; F29-F36 HydrophobicContact CE1-CB 4.2Å; F29-F36 AromaticContact CE1-CD2 3.71Å; F29-F36 HydrophobicContact CE1-CD2 3.71Å; F29-F36 HydrophobicContact CE1-CE2 4.44Å; F29-F36 HydrophobicContact CE1-CG 4.23Å; F29-F36 HydrophobicContact CE2-CD2 4.06Å; F29-F36 HydrophobicContact CE2-CE2 4.07Å; F29-F36 AromaticContact CG-CD2 3.92Å; F29-F36 HydrophobicContact CG-CD2 3.92Å; F29-F36 AromaticContact CZ-CD2 3.9Å; F29-F36 HydrophobicContact CZ-CD2 3.9Å; F29-F36 HydrophobicContact CZ-CE2 4.18Å; F36-A38 HydrophobicContact CE1-CB 3.95Å; F36-A38 HydrophobicContact CZ-CB 4.49Å; F36-F47 CarbonylContact O-C 3.53Å; F36-F47 WeakPolarHBondContact O-CA 3.44Å; F36-Y48 HydrophobicContact CD1-CD2 4.03Å; F36-Y48 PolarHBondContact N-O 2.87Å; F36-Y48 PolarHBondContact O-N 2.82Å; F36-V50 HydrophobicContact CB-CG2 3.47Å; F36-V50 VanDerWaalsContact CB-CG2 3.47Å; F36-C306 HydrophobicContact CE2-CB 3.71Å; F36-C306 HydrophobicContact CZ-CB 3.73Å; F36-C306 WeakPolarHBondContact CZ-SG 3.46Å; F36-L314 HydrophobicContact CE1-CD1 4.2Å; F36-L314 HydrophobicContact CE1-CD2 4.32Å; F36-L314 HydrophobicContact CZ-CD2 4.5Å |
| 37 | M | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.9 | 175.7 | -179.5 | 179.3 | 65.9 | 0 | 0 | 110 | I27 E28 I45 C46 F47 A71 F73 V80 | I27-M37 CarbonylContact C-O 3.53Å; I27-M37 VanDerWaalsContact CA-O 3.25Å; I27-M37 WeakPolarHBondContact CA-O 3.26Å; E28-M37 HydrophobicContact CB-CE 3.81Å; E28-M37 PolarHBondContact N-O 3.09Å; E28-M37 PolarHBondContact O-N 2.79Å; M37-I45 HydrophobicContact CG-CG2 3.43Å; M37-I45 VanDerWaalsContact CG-CG2 3.43Å; M37-I45 HydrophobicContact SD-CG2 3.71Å; M37-C46 CarbonylContact C-O 3.58Å; M37-C46 WeakPolarHBondContact CA-O 3.4Å; M37-F47 HydrophobicContact CB-CD1 4.29Å; M37-F47 HydrophobicContact CB-CE1 4.23Å; M37-F47 HydrophobicContact CG-CD1 4.43Å; M37-F47 HydrophobicContact CG-CE1 4.02Å; M37-F47 HydrophobicContact SD-CE1 4.24Å; M37-A71 HydrophobicContact CE-CB 3.87Å; M37-A71 WeakPolarHBondContact CE-O 3.47Å; M37-A71 HydrophobicContact SD-CB 4.06Å; M37-F73 HydrophobicContact CB-CE2 3.58Å; M37-F73 HydrophobicContact CB-CZ 3.54Å; M37-F73 HydrophobicContact CE-CE2 4.44Å; M37-F73 HydrophobicContact CG-CZ 4.44Å; M37-F73 HydrophobicContact SD-CZ 4.41Å; M37-V80 HydrophobicContact CE-CG1 4.38Å; M37-V80 HydrophobicContact SD-CB 4.39Å; M37-V80 HydrophobicContact SD-CG1 3.51Å; M37-V80 VanDerWaalsContact SD-CG1 3.51Å; M37-V80 HydrophobicContact SD-CG2 3.91Å |
| 38 | A | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | I27 F36 F41 I45 C46 Y48 L314 | I27-A38 HydrophobicContact CG2-CB 3.9Å; F36-A38 HydrophobicContact CE1-CB 3.95Å; F36-A38 HydrophobicContact CZ-CB 4.49Å; A38-F41 HydrophobicContact CB-CE2 3.72Å; A38-F41 HydrophobicContact CB-CZ 4.2Å; A38-I45 WeakPolarHBondContact O-CA 3.35Å; A38-C46 PolarHBondContact N-O 3.03Å; A38-C46 PolarHBondContact O-N 2.81Å; A38-Y48 HydrophobicContact CB-CE2 4.22Å; A38-L314 HydrophobicContact CB-CD1 3.66Å; A38-L314 HydrophobicContact CB-CD2 3.97Å; A38-L314 HydrophobicContact CB-CG 4.47Å |
| 39 | A | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A24 K25 N26 I45 V68 A71 | A24-A39 CarbonylContact C-O 3.59Å; K25-A39 PolarHBondContact N-O 3.07Å; N26-A39 HydrophobicContact CB-CB 4.37Å; N26-A39 PolarHBondContact N-O 2.87Å; N26-A39 PolarHBondContact O-N 2.78Å; A39-I45 HydrophobicContact CB-CD1 4.35Å; A39-I45 HydrophobicContact CB-CG1 3.89Å; A39-V68 HydrophobicContact CB-CG1 3.8Å; A39-A71 HydrophobicContact CB-CB 4.39Å |
| 40 | G | 84.8 | Confident | 92.5 | Very high | 6 Ų | 6 | 38 Ų | 38 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | trans | 117 | -4.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | C23 N42 R44 | C23-G40 CarbonylContact O-C 3.55Å; C23-G40 VanDerWaalsContact O-CA 3.28Å; C23-G40 WeakPolarHBondContact O-CA 3.17Å; G40-N42 VanDerWaalsContact C-N 3.27Å; G40-N42 PolarHBondContact O-N 2.97Å; G40-R44 PolarHBondContact N-O 2.86Å; G40-R44 VanDerWaalsContact N-O 3.14Å | ||
| 41 | F | 80.5 | Confident | 92.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74.2 | 68.7 | -179.7 | -52.2 | -80.3 | 0 | 0 | 0 | 113.1 | T16 L19 A24 A38 R44 L314 | T16-F41 HydrophobicContact CG2-CE1 3.82Å; T16-F41 HydrophobicContact CG2-CZ 3.8Å; L19-F41 HydrophobicContact CB-CB 4.47Å; L19-F41 HydrophobicContact CB-CD1 4.41Å; L19-F41 HydrophobicContact CD1-CB 4.03Å; L19-F41 HydrophobicContact CD1-CD1 3.67Å; L19-F41 HydrophobicContact CD1-CD2 3.66Å; L19-F41 HydrophobicContact CD1-CE1 3.96Å; L19-F41 HydrophobicContact CD1-CE2 3.95Å; L19-F41 HydrophobicContact CD1-CG 3.52Å; L19-F41 HydrophobicContact CD1-CZ 4.1Å; A24-F41 HydrophobicContact CB-CE1 4.23Å; A24-F41 HydrophobicContact CB-CZ 3.94Å; A38-F41 HydrophobicContact CB-CE2 3.72Å; A38-F41 HydrophobicContact CB-CZ 4.2Å; F41-R44 HydrophobicContact CB-CB 4.27Å; F41-R44 WeakPolarHBondContact O-CB 3.35Å; F41-R44 PolarHBondContact O-N 3.29Å; F41-L314 HydrophobicContact CZ-CD1 3.97Å; F41-L314 HydrophobicContact CZ-CD2 4.48Å; F41-L314 HydrophobicContact CZ-CG 4.31Å |
| 42 | N | 79.1 | Confident | 92.1 | Very high | 102 Ų | 102 | 35.1 Ų | 35.1 | 55% | 0.545 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 57.9 | 54.7 | -177.4 | -62.2 | -33.8 | 0 | 0 | 0 | 112.8 | Q21 G40 R44 | Q21-N42 PolarHBondContact O-ND2 2.95Å; G40-N42 VanDerWaalsContact C-N 3.27Å; G40-N42 PolarHBondContact O-N 2.97Å; N42-R44 VanDerWaalsContact C-N 3.33Å |
| 43 | S | 84.8 | Confident | 92.2 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 71.8 | 23.3 | -178.9 | -34.1 | 0 | 0 | 0 | 0 | 114.2 | R62 F63 C66 | S43-R62 WeakPolarHBondContact O-CA 3.3Å; S43-F63 WeakPolarHBondContact CB-O 3.42Å; S43-F63 PolarHBondContact O-N 3.4Å; S43-C66 WeakPolarHBondContact CA-O 3.26Å; S43-C66 WeakPolarHBondContact CB-O 3.37Å; S43-C66 PolarHBondContact OG-O 3.24Å; S43-C66 VanDerWaalsContact OG-O 3.12Å |
| 44 | R | 90.1 | Very high | 92.2 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 149.7 | 174.4 | -68.8 | -179.6 | 167.6 | -172.3 | -5.2 | 112.4 | G40 F41 N42 V61 R62 | G40-R44 PolarHBondContact N-O 2.86Å; G40-R44 VanDerWaalsContact N-O 3.14Å; F41-R44 HydrophobicContact CB-CB 4.27Å; F41-R44 WeakPolarHBondContact O-CB 3.35Å; F41-R44 PolarHBondContact O-N 3.29Å; N42-R44 VanDerWaalsContact C-N 3.33Å; R44-V61 CarbonylContact C-O 3.59Å; R44-V61 WeakPolarHBondContact CA-O 3.45Å; R44-R62 HydrophobicContact CG-CB 3.93Å; R44-R62 HydrophobicContact CG-CG 3.95Å |
| 45 | I | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.5 | 164.5 | -58 | -172.1 | 0 | 0 | 0 | 107.3 | M37 A38 A39 F47 S60 V61 F63 V68 A71 V80 V82 | M37-I45 HydrophobicContact CG-CG2 3.43Å; M37-I45 VanDerWaalsContact CG-CG2 3.43Å; M37-I45 HydrophobicContact SD-CG2 3.71Å; A38-I45 WeakPolarHBondContact O-CA 3.35Å; A39-I45 HydrophobicContact CB-CD1 4.35Å; A39-I45 HydrophobicContact CB-CG1 3.89Å; I45-F47 HydrophobicContact CG2-CE1 4.13Å; I45-F47 HydrophobicContact CG2-CE2 3.94Å; I45-F47 HydrophobicContact CG2-CZ 3.63Å; I45-S60 CarbonylContact O-C 3.58Å; I45-S60 VanDerWaalsContact O-CA 3.32Å; I45-S60 WeakPolarHBondContact O-CA 3.33Å; I45-V61 PolarHBondContact N-O 2.81Å; I45-V61 PolarHBondContact O-N 2.94Å; I45-F63 HydrophobicContact CB-CE2 4.28Å; I45-F63 HydrophobicContact CD1-CD2 4.37Å; I45-F63 HydrophobicContact CD1-CE2 3.61Å; I45-F63 HydrophobicContact CD1-CZ 4.17Å; I45-F63 HydrophobicContact CG1-CD2 4.26Å; I45-F63 HydrophobicContact CG1-CE2 3.78Å; I45-V68 HydrophobicContact CD1-CG1 4.36Å; I45-V68 HydrophobicContact CG1-CG2 4.47Å; I45-A71 HydrophobicContact CD1-CB 3.69Å; I45-V80 HydrophobicContact CD1-CG1 4.06Å; I45-V82 HydrophobicContact CD1-CG1 4.49Å; I45-V82 HydrophobicContact CD1-CG2 3.38Å |
| 46 | C | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.6 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | L19 M37 A38 Y48 L57 | L19-C46 VanDerWaalsContact CD1-SG 3.59Å; M37-C46 CarbonylContact C-O 3.58Å; M37-C46 WeakPolarHBondContact CA-O 3.4Å; A38-C46 PolarHBondContact N-O 3.03Å; A38-C46 PolarHBondContact O-N 2.81Å; C46-Y48 HydrophobicContact CB-CD2 4.38Å; C46-Y48 HydrophobicContact CB-CE2 3.48Å; C46-Y48 VanDerWaalsContact CB-CE2 3.48Å; C46-L57 HydrophobicContact CB-CD1 3.75Å |
| 47 | F | 95.9 | Very high | 92 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.4 | 179 | -58 | -82.8 | 0 | 0 | 0 | 108.8 | V35 F36 M37 I45 L58 H59 V61 F73 V80 Y93 M95 | V35-F47 HydrophobicContact CG1-CB 4.31Å; V35-F47 HydrophobicContact CG1-CD1 4.32Å; F36-F47 CarbonylContact O-C 3.53Å; F36-F47 WeakPolarHBondContact O-CA 3.44Å; M37-F47 HydrophobicContact CB-CD1 4.29Å; M37-F47 HydrophobicContact CB-CE1 4.23Å; M37-F47 HydrophobicContact CG-CD1 4.43Å; M37-F47 HydrophobicContact CG-CE1 4.02Å; M37-F47 HydrophobicContact SD-CE1 4.24Å; I45-F47 HydrophobicContact CG2-CE1 4.13Å; I45-F47 HydrophobicContact CG2-CE2 3.94Å; I45-F47 HydrophobicContact CG2-CZ 3.63Å; F47-L58 WeakPolarHBondContact O-CB 3.3Å; F47-L58 PolarHBondContact O-N 2.91Å; F47-H59 HydrophobicContact CB-CB 4.45Å; F47-H59 HydrophobicContact CD2-CB 4.28Å; F47-H59 PolarHBondContact N-O 3.45Å; F47-H59 PolarHBondContact O-N 2.84Å; F47-V61 HydrophobicContact CE2-CG2 4.17Å; F47-F73 HydrophobicContact CD1-CE1 4.38Å; F47-F73 HydrophobicContact CD1-CZ 4.25Å; F47-F73 AromaticContact CE1-CE1 3.91Å; F47-F73 HydrophobicContact CE1-CE1 3.91Å; F47-F73 HydrophobicContact CE1-CZ 4.08Å; F47-V80 HydrophobicContact CE1-CG2 3.81Å; F47-V80 HydrophobicContact CZ-CG2 3.86Å; F47-Y93 HydrophobicContact CD2-CE1 4.37Å; F47-Y93 AromaticContact CE2-CD1 3.78Å; F47-Y93 HydrophobicContact CE2-CD1 3.78Å; F47-Y93 AromaticContact CE2-CE1 3.47Å; F47-Y93 HydrophobicContact CE2-CE1 3.47Å; F47-Y93 VanDerWaalsContact CE2-CE1 3.47Å; F47-Y93 AromaticContact CZ-CD1 3.65Å; F47-Y93 HydrophobicContact CZ-CD1 3.65Å; F47-Y93 AromaticContact CZ-CE1 3.74Å; F47-Y93 HydrophobicContact CZ-CE1 3.74Å; F47-M95 HydrophobicContact CD1-SD 4.37Å; F47-M95 HydrophobicContact CE1-SD 3.93Å; F47-M95 HydrophobicContact CZ-SD 4.35Å |
| 48 | Y | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.1 | -178.6 | -58.9 | -95.2 | 0 | 0 | 0 | 110.1 | F14 S15 V35 F36 A38 C46 P56 L57 L314 | F14-Y48 HydrophobicContact CB-CD1 3.97Å; F14-Y48 HydrophobicContact CB-CD2 4.49Å; F14-Y48 HydrophobicContact CB-CE1 4.07Å; F14-Y48 HydrophobicContact CB-CG 4.2Å; F14-Y48 AromaticContact CD1-CD1 3.87Å; F14-Y48 HydrophobicContact CD1-CD1 3.87Å; F14-Y48 HydrophobicContact CD1-CD2 4.3Å; F14-Y48 AromaticContact CD1-CG 3.61Å; F14-Y48 HydrophobicContact CD1-CG 3.61Å; F14-Y48 HydrophobicContact CE1-CG 4.33Å; F14-Y48 HydrophobicContact CG-CD1 4.35Å; F14-Y48 HydrophobicContact CG-CG 4.18Å; S15-Y48 WeakPolarHBondContact O-CE1 3.4Å; V35-Y48 CarbonylContact C-O 3.54Å; V35-Y48 VanDerWaalsContact CA-O 3.29Å; V35-Y48 WeakPolarHBondContact CA-O 3.41Å; F36-Y48 HydrophobicContact CD1-CD2 4.03Å; F36-Y48 PolarHBondContact N-O 2.87Å; F36-Y48 PolarHBondContact O-N 2.82Å; A38-Y48 HydrophobicContact CB-CE2 4.22Å; C46-Y48 HydrophobicContact CB-CD2 4.38Å; C46-Y48 HydrophobicContact CB-CE2 3.48Å; C46-Y48 VanDerWaalsContact CB-CE2 3.48Å; Y48-P56 VanDerWaalsContact CA-O 3.29Å; Y48-P56 WeakPolarHBondContact CA-O 3.33Å; Y48-L57 HydrophobicContact CD1-CB 3.98Å; Y48-L57 HydrophobicContact CD1-CD1 4.01Å; Y48-L57 HydrophobicContact CE1-CB 3.79Å; Y48-L57 HydrophobicContact CE1-CD1 3.56Å; Y48-L57 HydrophobicContact CE1-CG 4.27Å; Y48-L57 HydrophobicContact CE2-CD1 4.11Å; Y48-L57 HydrophobicContact CG-CD1 4.45Å; Y48-L314 HydrophobicContact CE2-CD1 3.95Å |
| 49 | Q | 96.8 | Very high | 91.8 | Very high | 76 Ų | 76 | 43.1 Ų | 43.1 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.7 | 165 | -176.7 | 172.6 | -5.3 | 0 | 0 | 109.2 | Q34 N55 P56 L58 | Q34-Q49 WeakPolarHBondContact O-CA 3.29Å; Q49-N55 CarbonylContact O-C 3.59Å; Q49-N55 VanDerWaalsContact O-CA 3.26Å; Q49-N55 WeakPolarHBondContact O-CA 3.25Å; Q49-P56 HydrophobicContact CB-CG 4.01Å; Q49-P56 PolarHBondContact N-O 3.04Å; Q49-L58 HydrophobicContact CB-CD1 3.93Å; Q49-L58 HydrophobicContact CB-CD2 4.01Å; Q49-L58 HydrophobicContact CB-CG 3.99Å |
| 50 | V | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -108.4 | 93.8 | 176.9 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | F14 F29 Q34 F36 Y304 L316 Y325 | F14-V50 HydrophobicContact CE1-CG2 4.14Å; F14-V50 HydrophobicContact CZ-CG2 3.96Å; F29-V50 HydrophobicContact CD1-CG2 4.19Å; F29-V50 HydrophobicContact CE1-CG1 4.12Å; F29-V50 HydrophobicContact CE1-CG2 3.96Å; Q34-V50 HydrophobicContact CB-CB 4.45Å; Q34-V50 PolarHBondContact O-N 3.38Å; Q34-V50 PolarHBondContact OE1-O 3.21Å; F36-V50 HydrophobicContact CB-CG2 3.47Å; F36-V50 VanDerWaalsContact CB-CG2 3.47Å; V50-Y304 HydrophobicContact CG1-CD2 4.4Å; V50-Y304 HydrophobicContact CG1-CG 4.4Å; V50-L316 HydrophobicContact CG1-CD2 4.43Å; V50-Y325 HydrophobicContact CB-CD2 4.06Å; V50-Y325 HydrophobicContact CB-CE2 3.88Å; V50-Y325 HydrophobicContact CG1-CD2 3.97Å; V50-Y325 HydrophobicContact CG1-CE2 4.07Å; V50-Y325 HydrophobicContact CG2-CE2 3.92Å | ||
| 51 | D | 92.7 | Very high | 92.2 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | trans | -114.5 | -10.2 | 176.5 | 64.2 | 18.1 | 0 | 0 | 0 | 112.9 | K53 E54 N55 | D51-K53 PolarHBondContact O-N 2.89Å; D51-K53 PolarHBondContact OD1-N 2.75Å; D51-E54 PolarHBondContact OD1-N 2.64Å; D51-N55 PolarHBondContact N-OD1 3.43Å; D51-N55 VanDerWaalsContact N-OD1 3.1Å; D51-N55 PolarHBondContact OD1-N 3.24Å; D51-N55 PolarHBondContact OD1-OD1 3.02Å | ||
| 52 | G | 89.7 | Confident | 92.6 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 76.1 | -0.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N55 | G52-N55 PolarHBondContact N-OD1 2.82Š|
| 53 | K | 93.2 | Very high | 93 | Very high | 161 Ų | 161 | 47.8 Ų | 47.8 | 70% | 0.7 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -118.5 | -59.5 | -175.6 | -66.8 | -176.2 | -179.1 | -180 | 0 | 112.3 | R12 D51 | R12-K53 VanDerWaalsContact CB-O 3.28Å; R12-K53 WeakPolarHBondContact CB-O 3.29Å; R12-K53 WeakPolarHBondContact CD-O 3.37Å; D51-K53 PolarHBondContact O-N 2.89Å; D51-K53 PolarHBondContact OD1-N 2.75Å |
| 54 | E | 93.5 | Very high | 92.7 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 51% | 0.514 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -105.9 | -34.7 | -178 | -67.1 | -55.4 | 132.1 | 0 | 0 | 111.4 | R12 D51 | R12-E54 IonicContact CZ-OE2 3.65Å; R12-E54 IonicContact NH1-OE1 3.26Å; R12-E54 PolarHBondContact NH1-OE1 3.3Å; R12-E54 VanDerWaalsContact NH1-OE1 3.08Å; R12-E54 IonicContact NH1-OE2 3.9Å; R12-E54 PolarHBondContact NH1-OE2 3.27Å; R12-E54 IonicContact NH2-OE2 3.6Å; D51-E54 PolarHBondContact OD1-N 2.64Å |
| 55 | N | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | trans | 45.4 | 51.9 | -179.7 | -61.7 | -44.7 | 0 | 0 | 0 | 113.5 | R12 F14 Q49 D51 G52 L316 | R12-N55 PolarHBondContact O-ND2 2.85Å; F14-N55 HydrophobicContact CD1-CB 3.59Å; F14-N55 HydrophobicContact CE1-CB 3.7Å; F14-N55 HydrophobicContact CG-CB 4.45Å; Q49-N55 CarbonylContact O-C 3.59Å; Q49-N55 VanDerWaalsContact O-CA 3.26Å; Q49-N55 WeakPolarHBondContact O-CA 3.25Å; D51-N55 PolarHBondContact N-OD1 3.43Å; D51-N55 VanDerWaalsContact N-OD1 3.1Å; D51-N55 PolarHBondContact OD1-N 3.24Å; D51-N55 PolarHBondContact OD1-OD1 3.02Å; G52-N55 PolarHBondContact N-OD1 2.82Å; N55-L316 WeakPolarHBondContact ND2-CD2 3.35Å | ||
| 56 | P | 95.7 | Very high | 91.1 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | trans | -67.2 | 148.7 | -170.3 | 28.8 | -36.9 | 0 | 0 | 0 | 112.5 | Y48 Q49 L58 | Y48-P56 VanDerWaalsContact CA-O 3.29Å; Y48-P56 WeakPolarHBondContact CA-O 3.33Å; Q49-P56 HydrophobicContact CB-CG 4.01Å; Q49-P56 PolarHBondContact N-O 3.04Å; P56-L58 PolarHBondContact O-N 3.15Å | ||
| 57 | L | 94.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 117.3 | 166.4 | -179.8 | 71.6 | 0 | 0 | 0 | 108.6 | C46 Y48 H59 | C46-L57 HydrophobicContact CB-CD1 3.75Å; Y48-L57 HydrophobicContact CD1-CB 3.98Å; Y48-L57 HydrophobicContact CD1-CD1 4.01Å; Y48-L57 HydrophobicContact CE1-CB 3.79Å; Y48-L57 HydrophobicContact CE1-CD1 3.56Å; Y48-L57 HydrophobicContact CE1-CG 4.27Å; Y48-L57 HydrophobicContact CE2-CD1 4.11Å; Y48-L57 HydrophobicContact CG-CD1 4.45Å; L57-H59 WeakPolarHBondContact CD1-O 3.36Å |
| 58 | L | 94.1 | Very high | 89.8 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -45.8 | 176.7 | -65.1 | 175 | 0 | 0 | 0 | 111 | V35 F47 Q49 P56 | V35-L58 HydrophobicContact CG2-CD1 4.21Å; F47-L58 WeakPolarHBondContact O-CB 3.3Å; F47-L58 PolarHBondContact O-N 2.91Å; Q49-L58 HydrophobicContact CB-CD1 3.93Å; Q49-L58 HydrophobicContact CB-CD2 4.01Å; Q49-L58 HydrophobicContact CB-CG 3.99Å; P56-L58 PolarHBondContact O-N 3.15Å |
| 59 | H | 93.8 | Very high | 89.3 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 157.6 | -171.7 | -169.5 | 77.4 | 0 | 0 | 0 | 111.8 | F47 L57 V61 Y93 D98 | F47-H59 HydrophobicContact CB-CB 4.45Å; F47-H59 HydrophobicContact CD2-CB 4.28Å; F47-H59 PolarHBondContact N-O 3.45Å; F47-H59 PolarHBondContact O-N 2.84Å; L57-H59 WeakPolarHBondContact CD1-O 3.36Å; H59-V61 VanDerWaalsContact CD2-CG2 3.49Å; H59-V61 WeakPolarHBondContact CD2-CG2 3.43Å; H59-V61 VanDerWaalsContact NE2-CG2 3.28Å; H59-V61 WeakPolarHBondContact NE2-CG2 2.97Å; H59-Y93 PolarHBondContact CD2-OH 3Å; H59-Y93 VanDerWaalsContact CD2-OH 3.28Å; H59-Y93 AromaticContact NE2-CZ 3.98Å; H59-Y93 PolarHBondContact NE2-OH 3.34Å; H59-D98 IonicContact CE1-OD1 2.69Å; H59-D98 IonicContact CE1-OD2 2.82Å; H59-D98 IonicContact NE2-OD1 2.95Å; H59-D98 PolarHBondContact NE2-OD1 3.11Å |
| 60 | S | 92.6 | Very high | 89 | Confident | 45 Ų | 45 | 64 Ų | 64 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 134.9 | 172.7 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | I45 | I45-S60 CarbonylContact O-C 3.58Å; I45-S60 VanDerWaalsContact O-CA 3.32Å; I45-S60 WeakPolarHBondContact O-CA 3.33Å |
| 61 | V | 92.8 | Very high | 88.9 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.4 | -179.1 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | R44 I45 F47 H59 F63 Y93 I100 | R44-V61 CarbonylContact C-O 3.59Å; R44-V61 WeakPolarHBondContact CA-O 3.45Å; I45-V61 PolarHBondContact N-O 2.81Å; I45-V61 PolarHBondContact O-N 2.94Å; F47-V61 HydrophobicContact CE2-CG2 4.17Å; H59-V61 VanDerWaalsContact CD2-CG2 3.49Å; H59-V61 WeakPolarHBondContact CD2-CG2 3.43Å; H59-V61 VanDerWaalsContact NE2-CG2 3.28Å; H59-V61 WeakPolarHBondContact NE2-CG2 2.97Å; V61-F63 HydrophobicContact CB-CE2 4.31Å; V61-F63 HydrophobicContact CG1-CD2 4.47Å; V61-F63 HydrophobicContact CG1-CE2 4Å; V61-F63 HydrophobicContact CG1-CZ 4.3Å; V61-Y93 HydrophobicContact CB-CD2 4.47Å; V61-Y93 HydrophobicContact CB-CE2 4.48Å; V61-Y93 HydrophobicContact CG1-CD2 4.05Å; V61-Y93 HydrophobicContact CG1-CE2 4.3Å; V61-Y93 HydrophobicContact CG2-CD1 4Å; V61-Y93 HydrophobicContact CG2-CD2 3.77Å; V61-Y93 HydrophobicContact CG2-CE1 3.62Å; V61-Y93 HydrophobicContact CG2-CE2 3.4Å; V61-Y93 HydrophobicContact CG2-CG 4.07Å; V61-I100 HydrophobicContact CG1-CD1 3.66Å; V61-I100 HydrophobicContact CG1-CG1 3.93Å |
| 62 | R | 90.4 | Very high | 89.1 | Confident | 150 Ų | 150 | 62.8 Ų | 62.8 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.4 | 174.8 | -170.2 | -179.5 | -172.2 | 179.5 | -1 | 110.3 | S43 R44 | S43-R62 WeakPolarHBondContact O-CA 3.3Å; R44-R62 HydrophobicContact CG-CB 3.93Å; R44-R62 HydrophobicContact CG-CG 3.95Å |
| 63 | F | 86.3 | Confident | 89.3 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | trans | -96.2 | 111.4 | 172 | -63.6 | -98.8 | 0 | 0 | 0 | 108.6 | S43 I45 V61 R65 C66 V68 V82 Y91 I100 | S43-F63 WeakPolarHBondContact CB-O 3.42Å; S43-F63 PolarHBondContact O-N 3.4Å; I45-F63 HydrophobicContact CB-CE2 4.28Å; I45-F63 HydrophobicContact CD1-CD2 4.37Å; I45-F63 HydrophobicContact CD1-CE2 3.61Å; I45-F63 HydrophobicContact CD1-CZ 4.17Å; I45-F63 HydrophobicContact CG1-CD2 4.26Å; I45-F63 HydrophobicContact CG1-CE2 3.78Å; V61-F63 HydrophobicContact CB-CE2 4.31Å; V61-F63 HydrophobicContact CG1-CD2 4.47Å; V61-F63 HydrophobicContact CG1-CE2 4Å; V61-F63 HydrophobicContact CG1-CZ 4.3Å; F63-R65 PolarHBondContact O-N 2.68Å; F63-C66 HydrophobicContact CB-CB 3.69Å; F63-C66 PolarHBondContact O-N 3.33Å; F63-V68 HydrophobicContact CD2-CG2 4.47Å; F63-V82 HydrophobicContact CE1-CB 4.18Å; F63-V82 HydrophobicContact CE1-CG2 3.92Å; F63-V82 HydrophobicContact CE2-CG2 4.06Å; F63-V82 HydrophobicContact CZ-CB 4.3Å; F63-V82 HydrophobicContact CZ-CG2 3.56Å; F63-Y91 HydrophobicContact CD1-CD2 4.2Å; F63-Y91 AromaticContact CD1-CG 3.99Å; F63-Y91 HydrophobicContact CD1-CG 3.99Å; F63-Y91 HydrophobicContact CE1-CG 4.36Å; F63-I100 HydrophobicContact CD1-CD1 4Å; F63-I100 HydrophobicContact CD1-CG2 4.09Å; F63-I100 HydrophobicContact CE1-CD1 4.08Å; F63-I100 HydrophobicContact CE1-CG1 4.14Å; F63-I100 HydrophobicContact CE1-CG2 3.9Å; F63-I100 HydrophobicContact CG-CD1 4.42Å | ||
| 64 | E | 78.7 | Confident | 89.3 | Confident | 152 Ų | 152 | 56.1 Ų | 56.1 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 137.7 | -179.4 | -63.7 | -162.6 | 160.6 | 0 | 0 | 111.6 | C66 | E64-C66 PolarHBondContact O-N 3.16Š|
| 65 | R | 73.7 | Confident | 89.3 | Confident | 220 Ų | 220 | 54 Ų | 54 | 83% | 0.83 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 19.9 | 178 | -54.9 | 179.1 | 179.6 | 179.4 | -0.5 | 114.8 | F63 H87 | F63-R65 PolarHBondContact O-N 2.68Å; R65-H87 PolarHBondContact O-NE2 3.33Å |
| 66 | C | 76.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | trans | -116.7 | 99.7 | -177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | S43 F63 E64 V68 P84 Y91 | S43-C66 WeakPolarHBondContact CA-O 3.26Å; S43-C66 WeakPolarHBondContact CB-O 3.37Å; S43-C66 PolarHBondContact OG-O 3.24Å; S43-C66 VanDerWaalsContact OG-O 3.12Å; F63-C66 HydrophobicContact CB-CB 3.69Å; F63-C66 PolarHBondContact O-N 3.33Å; E64-C66 PolarHBondContact O-N 3.16Å; C66-V68 VanDerWaalsContact C-N 3.34Å; C66-V68 PolarHBondContact O-N 2.65Å; C66-P84 HydrophobicContact CB-CB 4.22Å; C66-P84 VanDerWaalsContact SG-CB 3.58Å; C66-Y91 HydrophobicContact CB-CE2 4.22Å | ||
| 67 | S | 80.3 | Confident | 88.9 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | trans | -70.3 | 94.2 | 166.8 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | K25 K69 | K25-S67 PolarHBondContact NZ-OG 2.92Å; S67-K69 PolarHBondContact O-N 3.46Å; S67-K69 VanDerWaalsContact O-N 3.1Å | ||
| 68 | V | 82.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 110.9 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | A39 I45 F63 C66 A71 V82 | A39-V68 HydrophobicContact CB-CG1 3.8Å; I45-V68 HydrophobicContact CD1-CG1 4.36Å; I45-V68 HydrophobicContact CG1-CG2 4.47Å; F63-V68 HydrophobicContact CD2-CG2 4.47Å; C66-V68 VanDerWaalsContact C-N 3.34Å; C66-V68 PolarHBondContact O-N 2.65Å; V68-A71 HydrophobicContact CG1-CB 4.13Å; V68-V82 HydrophobicContact CB-CG1 4.35Å; V68-V82 HydrophobicContact CG1-CG1 3.91Å; V68-V82 HydrophobicContact CG2-CG1 3.7Å |
| 69 | K | 86.8 | Confident | 88.9 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -47.1 | 174.2 | -172.3 | 179.9 | -177.6 | -175.7 | 0 | 110.4 | N26 S67 T85 L113 E115 | N26-K69 WeakPolarHBondContact CB-O 2.94Å; S67-K69 PolarHBondContact O-N 3.46Å; S67-K69 VanDerWaalsContact O-N 3.1Å; K69-T85 HydrophobicContact CB-CG2 4.16Å; K69-T85 HydrophobicContact CD-CG2 4.13Å; K69-L113 PolarHBondContact NZ-O 3.44Å; K69-E115 VanDerWaalsContact CE-CD 3.45Å; K69-E115 WeakPolarHBondContact CE-OE1 3.45Å; K69-E115 WeakPolarHBondContact CE-OE2 3.36Å; K69-E115 IonicContact NZ-OE1 3.74Å; K69-E115 PolarHBondContact NZ-OE1 2.82Å; K69-E115 IonicContact NZ-OE2 2.71Å; K69-E115 PolarHBondContact NZ-OE2 2.92Å |
| 70 | Q | 90.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145.1 | 176.4 | -165.5 | 168.8 | 25.2 | 0 | 0 | 109 | H72 E115 F116 | Q70-H72 PolarHBondContact NE2-CE1 2.79Å; Q70-H72 PolarHBondContact NE2-NE2 3.34Å; Q70-E115 VanDerWaalsContact OE1-CA 3.24Å; Q70-F116 HydrophobicContact CB-CD1 4.28Å; Q70-F116 HydrophobicContact CB-CE1 4Å; Q70-F116 HydrophobicContact CG-CD1 4.33Å; Q70-F116 HydrophobicContact CG-CE1 4.01Å; Q70-F116 PolarHBondContact OE1-O 2.92Å |
| 71 | A | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.3 | 169 | 0 | 0 | 0 | 0 | 0 | 107.4 | N26 M37 A39 I45 V68 V80 L81 V82 | N26-A71 PolarHBondContact OD1-N 2.89Å; N26-A71 PolarHBondContact OD1-O 3.22Å; M37-A71 HydrophobicContact CE-CB 3.87Å; M37-A71 WeakPolarHBondContact CE-O 3.47Å; M37-A71 HydrophobicContact SD-CB 4.06Å; A39-A71 HydrophobicContact CB-CB 4.39Å; I45-A71 HydrophobicContact CD1-CB 3.69Å; V68-A71 HydrophobicContact CG1-CB 4.13Å; A71-V80 HydrophobicContact CB-CG1 3.81Å; A71-L81 VanDerWaalsContact CA-O 3.25Å; A71-L81 WeakPolarHBondContact CA-O 3.32Å; A71-V82 HydrophobicContact CB-CG2 4.08Å |
| 72 | H | 95.8 | Very high | 89 | Confident | 30 Ų | 30 | 51 Ų | 51 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.3 | 177 | -75.4 | -67.5 | 0 | 0 | 0 | 110.6 | E28 Q70 V80 L81 F116 V118 | E28-H72 VanDerWaalsContact OE2-CA 3.26Å; E28-H72 WeakPolarHBondContact OE2-CA 3.44Å; E28-H72 IonicContact OE2-ND1 2.59Å; Q70-H72 PolarHBondContact NE2-CE1 2.79Å; Q70-H72 PolarHBondContact NE2-NE2 3.34Å; H72-V80 CarbonylContact O-C 3.55Å; H72-V80 WeakPolarHBondContact O-CA 3.29Å; H72-L81 PolarHBondContact N-O 2.76Å; H72-L81 PolarHBondContact O-N 2.96Å; H72-F116 HydrophobicContact CB-CE2 3.98Å; H72-F116 HydrophobicContact CB-CZ 3.92Å; H72-F116 AromaticContact CD2-CD2 3.95Å; H72-F116 AromaticContact CD2-CE1 3.76Å; H72-F116 AromaticContact CD2-CE2 3.46Å; H72-F116 VanDerWaalsContact CD2-CE2 3.46Å; H72-F116 WeakPolarHBondContact CD2-CE2 2.91Å; H72-F116 AromaticContact CD2-CZ 3.38Å; H72-F116 WeakPolarHBondContact CD2-CZ 3.45Å; H72-F116 AromaticContact CG-CZ 4Å; H72-F116 PolarHBondContact NE2-O 3.25Å; H72-V118 HydrophobicContact CB-CG2 3.83Å |
| 73 | F | 95.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 142.8 | 164.3 | -70.1 | -69.2 | 0 | 0 | 0 | 110.4 | E28 H30 M37 F47 V80 M95 | E28-F73 HydrophobicContact CB-CD2 4.24Å; E28-F73 HydrophobicContact CB-CE2 4.32Å; E28-F73 HydrophobicContact CG-CD2 4.17Å; E28-F73 WeakPolarHBondContact OE2-CD2 3.36Å; E28-F73 PolarHBondContact OE2-N 3.48Å; H30-F73 HydrophobicContact CB-CD2 4.32Å; H30-F73 HydrophobicContact CB-CE2 3.88Å; H30-F73 HydrophobicContact CB-CZ 4.03Å; H30-F73 AromaticContact CD2-CD1 3.63Å; H30-F73 AromaticContact CD2-CE1 3.67Å; H30-F73 AromaticContact CD2-CG 3.85Å; H30-F73 AromaticContact CD2-CZ 3.92Å; M37-F73 HydrophobicContact CB-CE2 3.58Å; M37-F73 HydrophobicContact CB-CZ 3.54Å; M37-F73 HydrophobicContact CE-CE2 4.44Å; M37-F73 HydrophobicContact CG-CZ 4.44Å; M37-F73 HydrophobicContact SD-CZ 4.41Å; F47-F73 HydrophobicContact CD1-CE1 4.38Å; F47-F73 HydrophobicContact CD1-CZ 4.25Å; F47-F73 AromaticContact CE1-CE1 3.91Å; F47-F73 HydrophobicContact CE1-CE1 3.91Å; F47-F73 HydrophobicContact CE1-CZ 4.08Å; F73-V80 HydrophobicContact CD1-CG2 3.61Å; F73-V80 HydrophobicContact CE1-CG2 3.65Å; F73-M95 HydrophobicContact CD1-CE 3.74Å; F73-M95 HydrophobicContact CD1-SD 4.37Å; F73-M95 HydrophobicContact CE1-CE 3.67Å; F73-M95 HydrophobicContact CE1-SD 3.76Å |
| 74 | T | 93.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | trans | -70.2 | 155.9 | 165 | 44.9 | 0 | 0 | 0 | 0 | 110.1 | D76 G77 K79 F125 | T74-D76 VanDerWaalsContact C-N 3.25Å; T74-D76 PolarHBondContact O-N 3.3Å; T74-D76 PolarHBondContact OG1-OD1 2.84Å; T74-G77 WeakPolarHBondContact O-CA 3.46Å; T74-G77 PolarHBondContact O-N 3.44Å; T74-K79 HydrophobicContact CG2-CB 3.9Å; T74-K79 PolarHBondContact N-O 2.84Å; T74-K79 WeakPolarHBondContact OG1-CA 3.06Å; T74-K79 WeakPolarHBondContact OG1-CB 3.29Å; T74-K79 PolarHBondContact OG1-N 3.08Å; T74-K79 PolarHBondContact OG1-O 3.39Å; T74-F125 HydrophobicContact CG2-CZ 4.43Å | ||
| 75 | V | 91.5 | Very high | 88 | Confident | 65 Ų | 65 | 38 Ų | 38 | 39% | 0.394 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.8 | -173.4 | 173.7 | 0 | 0 | 0 | 0 | 113.1 | G77 V118 G122 | V75-G77 PolarHBondContact O-N 2.94Å; V75-V118 HydrophobicContact CG2-CG1 4.18Å; V75-G122 VanDerWaalsContact CG2-CA 3.41Å |
| 76 | D | 90.7 | Very high | 87.9 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.8 | 173.9 | 62.9 | 9.4 | 0 | 0 | 0 | 113.2 | R32 T74 Q78 | R32-D76 PolarHBondContact NH1-O 2.92Å; T74-D76 VanDerWaalsContact C-N 3.25Å; T74-D76 PolarHBondContact O-N 3.3Å; T74-D76 PolarHBondContact OG1-OD1 2.84Å; D76-Q78 HydrophobicContact CB-CG 4.46Å; D76-Q78 PolarHBondContact OD1-N 2.78Å |
| 77 | G | 92.5 | Very high | 87.9 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 78.9 | 17.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H30 T74 V75 M95 | H30-G77 WeakPolarHBondContact NE2-CA 3.36Å; H30-G77 PolarHBondContact NE2-O 3.22Å; T74-G77 WeakPolarHBondContact O-CA 3.46Å; T74-G77 PolarHBondContact O-N 3.44Å; V75-G77 PolarHBondContact O-N 2.94Å; G77-M95 WeakPolarHBondContact O-CE 3.49Å |
| 78 | Q | 93.5 | Very high | 87.9 | Confident | 102 Ų | 102 | 44.2 Ų | 44.2 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -98.8 | -26.2 | -176.1 | -63.7 | -161.4 | -12.9 | 0 | 0 | 113.5 | D76 M95 P96 | D76-Q78 HydrophobicContact CB-CG 4.46Å; D76-Q78 PolarHBondContact OD1-N 2.78Å; Q78-M95 VanDerWaalsContact C-CE 3.44Å; Q78-M95 WeakPolarHBondContact O-CB 3.44Å; Q78-M95 WeakPolarHBondContact O-CE 3.37Å; Q78-M95 WeakPolarHBondContact O-CG 3.32Å; Q78-M95 PolarHBondContact O-N 3.05Å; Q78-P96 HydrophobicContact CB-CG 4.38Å; Q78-P96 VanDerWaalsContact O-CD 3.27Å; Q78-P96 WeakPolarHBondContact O-CD 3.47Å |
| 79 | K | 94.7 | Very high | 88.1 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156 | -177.8 | -54.4 | -175.3 | 177.7 | -173.7 | 0 | 111.9 | T74 Y92 Y93 D94 | T74-K79 HydrophobicContact CG2-CB 3.9Å; T74-K79 PolarHBondContact N-O 2.84Å; T74-K79 WeakPolarHBondContact OG1-CA 3.06Å; T74-K79 WeakPolarHBondContact OG1-CB 3.29Å; T74-K79 PolarHBondContact OG1-N 3.08Å; T74-K79 PolarHBondContact OG1-O 3.39Å; K79-Y92 HydrophobicContact CB-CD1 4.49Å; K79-Y93 CarbonylContact C-O 3.47Å; K79-Y93 WeakPolarHBondContact CA-O 3.26Å; K79-D94 WeakPolarHBondContact CE-OD2 3.31Å; K79-D94 IonicContact NZ-OD2 2.65Å; K79-D94 PolarHBondContact NZ-OD2 2.87Å |
| 80 | V | 95.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.7 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | M37 I45 F47 A71 H72 F73 V82 Y92 Y93 M95 | M37-V80 HydrophobicContact CE-CG1 4.38Å; M37-V80 HydrophobicContact SD-CB 4.39Å; M37-V80 HydrophobicContact SD-CG1 3.51Å; M37-V80 VanDerWaalsContact SD-CG1 3.51Å; M37-V80 HydrophobicContact SD-CG2 3.91Å; I45-V80 HydrophobicContact CD1-CG1 4.06Å; F47-V80 HydrophobicContact CE1-CG2 3.81Å; F47-V80 HydrophobicContact CZ-CG2 3.86Å; A71-V80 HydrophobicContact CB-CG1 3.81Å; H72-V80 CarbonylContact O-C 3.55Å; H72-V80 WeakPolarHBondContact O-CA 3.29Å; F73-V80 HydrophobicContact CD1-CG2 3.61Å; F73-V80 HydrophobicContact CE1-CG2 3.65Å; V80-V82 HydrophobicContact CG1-CG2 3.91Å; V80-Y92 CarbonylContact O-C 3.58Å; V80-Y92 WeakPolarHBondContact O-CA 3.24Å; V80-Y93 PolarHBondContact N-O 3.07Å; V80-Y93 PolarHBondContact O-N 3.48Å; V80-M95 HydrophobicContact CG2-CE 4.49Å; V80-M95 HydrophobicContact CG2-SD 4.25Å |
| 81 | L | 94.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.9 | 170 | 174.1 | 57.8 | 0 | 0 | 0 | 109.1 | A71 H72 V83 L90 Y92 F116 F125 F127 | A71-L81 VanDerWaalsContact CA-O 3.25Å; A71-L81 WeakPolarHBondContact CA-O 3.32Å; H72-L81 PolarHBondContact N-O 2.76Å; H72-L81 PolarHBondContact O-N 2.96Å; L81-V83 HydrophobicContact CG-CG2 4.47Å; L81-L90 HydrophobicContact CD1-CB 4.09Å; L81-Y92 HydrophobicContact CB-CD1 4.23Å; L81-Y92 HydrophobicContact CB-CE1 3.99Å; L81-Y92 HydrophobicContact CD1-CD1 4.21Å; L81-Y92 HydrophobicContact CD1-CD2 4.47Å; L81-Y92 HydrophobicContact CD1-CE1 3.76Å; L81-Y92 HydrophobicContact CD1-CE2 4.05Å; L81-Y92 HydrophobicContact CG-CE1 4.29Å; L81-F116 HydrophobicContact CB-CE2 4.24Å; L81-F116 HydrophobicContact CB-CZ 4.28Å; L81-F116 HydrophobicContact CD2-CD2 4.03Å; L81-F116 HydrophobicContact CD2-CE2 3.46Å; L81-F116 VanDerWaalsContact CD2-CE2 3.46Å; L81-F116 HydrophobicContact CD2-CZ 4.11Å; L81-F116 HydrophobicContact CG-CE2 3.79Å; L81-F116 HydrophobicContact CG-CZ 3.91Å; L81-F125 HydrophobicContact CB-CZ 4.49Å; L81-F125 HydrophobicContact CD2-CD1 3.68Å; L81-F125 HydrophobicContact CD2-CD2 3.67Å; L81-F125 HydrophobicContact CD2-CE1 3.61Å; L81-F125 HydrophobicContact CD2-CE2 3.6Å; L81-F125 HydrophobicContact CD2-CG 3.72Å; L81-F125 HydrophobicContact CD2-CZ 3.58Å; L81-F127 HydrophobicContact CD2-CE1 4.31Å; L81-F127 HydrophobicContact CD2-CZ 4.07Å |
| 82 | V | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.8 | -179.7 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | I45 F63 V68 A71 V80 P84 Y91 | I45-V82 HydrophobicContact CD1-CG1 4.49Å; I45-V82 HydrophobicContact CD1-CG2 3.38Å; F63-V82 HydrophobicContact CE1-CB 4.18Å; F63-V82 HydrophobicContact CE1-CG2 3.92Å; F63-V82 HydrophobicContact CE2-CG2 4.06Å; F63-V82 HydrophobicContact CZ-CB 4.3Å; F63-V82 HydrophobicContact CZ-CG2 3.56Å; V68-V82 HydrophobicContact CB-CG1 4.35Å; V68-V82 HydrophobicContact CG1-CG1 3.91Å; V68-V82 HydrophobicContact CG2-CG1 3.7Å; A71-V82 HydrophobicContact CB-CG2 4.08Å; V80-V82 HydrophobicContact CG1-CG2 3.91Å; V82-P84 VanDerWaalsContact O-CD 3.31Å; V82-P84 WeakPolarHBondContact O-CD 3.28Å; V82-Y91 PolarHBondContact N-O 3.41Å; V82-Y91 PolarHBondContact O-N 3.04Å |
| 83 | V | 85.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105 | -179.1 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | L81 L90 P112 F116 F127 | L81-V83 HydrophobicContact CG-CG2 4.47Å; V83-L90 HydrophobicContact CG1-CD2 4.06Å; V83-L90 HydrophobicContact CG2-CD2 4.07Å; V83-P112 HydrophobicContact CG1-CB 3.75Å; V83-P112 HydrophobicContact CG1-CG 3.5Å; V83-F116 HydrophobicContact CB-CD1 4.17Å; V83-F116 HydrophobicContact CB-CE1 4.17Å; V83-F116 HydrophobicContact CG2-CD1 3.42Å; V83-F116 VanDerWaalsContact CG2-CD1 3.42Å; V83-F116 HydrophobicContact CG2-CD2 4.43Å; V83-F116 HydrophobicContact CG2-CE1 3.4Å; V83-F116 VanDerWaalsContact CG2-CE1 3.4Å; V83-F116 HydrophobicContact CG2-CE2 4.42Å; V83-F116 HydrophobicContact CG2-CG 3.96Å; V83-F116 HydrophobicContact CG2-CZ 3.92Å; V83-F127 HydrophobicContact CG1-CD1 4.35Å; V83-F127 HydrophobicContact CG2-CD1 3.95Å; V83-F127 HydrophobicContact CG2-CE1 3.49Å; V83-F127 VanDerWaalsContact CG2-CE1 3.49Å |
| 84 | P | 76.2 | Confident | 88 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.5 | 171 | 27.5 | -33.6 | 0 | 0 | 0 | 110.3 | C66 V82 R86 H87 C89 Y91 | C66-P84 HydrophobicContact CB-CB 4.22Å; C66-P84 VanDerWaalsContact SG-CB 3.58Å; V82-P84 VanDerWaalsContact O-CD 3.31Å; V82-P84 WeakPolarHBondContact O-CD 3.28Å; P84-R86 PolarHBondContact O-N 2.8Å; P84-H87 HydrophobicContact CB-CB 3.87Å; P84-H87 HydrophobicContact CG-CB 3.73Å; P84-C89 VanDerWaalsContact CD-O 3.31Å; P84-C89 WeakPolarHBondContact CD-O 3.46Å; P84-C89 WeakPolarHBondContact CG-O 3.16Å; P84-Y91 HydrophobicContact CB-CE2 4.23Å; P84-Y91 HydrophobicContact CG-CD2 3.95Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å |
| 85 | T | 73.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 129.8 | 172.6 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | K69 H87 L113 | K69-T85 HydrophobicContact CB-CG2 4.16Å; K69-T85 HydrophobicContact CD-CG2 4.13Å; T85-H87 VanDerWaalsContact C-N 3.35Å; T85-H87 PolarHBondContact O-CD2 3.32Å; T85-H87 VanDerWaalsContact O-CD2 3.25Å; T85-H87 PolarHBondContact O-N 3.26Å; T85-L113 WeakPolarHBondContact CG2-O 3.12Å |
| 86 | R | 71.1 | Confident | 88.2 | Confident | 208 Ų | 208 | 44.4 Ų | 44.4 | 79% | 0.785 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 31.8 | 176.5 | -54.8 | -179 | -71.1 | -135.2 | -0.9 | 115.4 | P84 | P84-R86 PolarHBondContact O-N 2.8Š|
| 87 | H | 76.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 45.9 Ų | 45.9 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | trans | -120.3 | 148.9 | 169.6 | -71.9 | -91.7 | 0 | 0 | 0 | 111.2 | R65 P84 T85 C89 L111 | R65-H87 PolarHBondContact O-NE2 3.33Å; P84-H87 HydrophobicContact CB-CB 3.87Å; P84-H87 HydrophobicContact CG-CB 3.73Å; T85-H87 VanDerWaalsContact C-N 3.35Å; T85-H87 PolarHBondContact O-CD2 3.32Å; T85-H87 VanDerWaalsContact O-CD2 3.25Å; T85-H87 PolarHBondContact O-N 3.26Å; H87-C89 PolarHBondContact O-N 3.03Å; H87-C89 VanDerWaalsContact O-N 3.14Å; H87-L111 WeakPolarHBondContact O-CD2 3.18Å | ||
| 88 | H | 80.4 | Confident | 88.6 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -83.3 | 29.2 | 179.5 | -68 | -82.2 | 0 | 0 | 0 | 113.4 | W105 L111 | H88-W105 WeakPolarHBondContact O-CB 3.28Å; H88-W105 PolarHBondContact O-N 3.13Å; H88-L111 HydrophobicContact CB-CD2 4.42Å; H88-L111 VanDerWaalsContact ND1-CD2 3.32Å; H88-L111 WeakPolarHBondContact ND1-CD2 3.45Å |
| 89 | C | 87.1 | Confident | 88.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.4 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | P84 H87 T102 A103 | P84-C89 VanDerWaalsContact CD-O 3.31Å; P84-C89 WeakPolarHBondContact CD-O 3.46Å; P84-C89 WeakPolarHBondContact CG-O 3.16Å; H87-C89 PolarHBondContact O-N 3.03Å; H87-C89 VanDerWaalsContact O-N 3.14Å; C89-T102 HydrophobicContact CB-CG2 3.61Å; C89-A103 CarbonylContact C-O 3.56Å; C89-A103 VanDerWaalsContact CA-O 3.24Å; C89-A103 WeakPolarHBondContact CA-O 3.35Å; C89-A103 WeakPolarHBondContact CB-O 3.38Å |
| 90 | L | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141.8 | 167.6 | -57.5 | 176.9 | 0 | 0 | 0 | 107.6 | L81 V83 T102 A103 W105 F127 L137 | L81-L90 HydrophobicContact CD1-CB 4.09Å; V83-L90 HydrophobicContact CG1-CD2 4.06Å; V83-L90 HydrophobicContact CG2-CD2 4.07Å; L90-T102 WeakPolarHBondContact O-CA 3.27Å; L90-A103 HydrophobicContact CB-CB 4.42Å; L90-A103 PolarHBondContact N-O 2.97Å; L90-A103 PolarHBondContact O-N 2.82Å; L90-W105 HydrophobicContact CD1-CE3 4.28Å; L90-W105 HydrophobicContact CD1-CZ3 4.41Å; L90-W105 HydrophobicContact CD2-CE3 3.91Å; L90-W105 HydrophobicContact CD2-CZ3 4.04Å; L90-W105 HydrophobicContact CG-CE3 4.13Å; L90-F127 HydrophobicContact CD1-CE1 4.37Å; L90-F127 HydrophobicContact CD1-CE2 4.35Å; L90-F127 HydrophobicContact CD1-CZ 3.79Å; L90-F127 HydrophobicContact CD2-CE1 3.92Å; L90-F127 HydrophobicContact CD2-CZ 4.18Å; L90-L137 HydrophobicContact CD1-CD1 3.83Å |
| 91 | Y | 90.9 | Very high | 88.4 | Confident | 43 Ų | 43 | 54 Ų | 54 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.7 | 173.5 | -62.7 | -71.5 | 0 | 0 | 0 | 110.4 | F63 C66 V82 P84 I100 L101 T102 | F63-Y91 HydrophobicContact CD1-CD2 4.2Å; F63-Y91 AromaticContact CD1-CG 3.99Å; F63-Y91 HydrophobicContact CD1-CG 3.99Å; F63-Y91 HydrophobicContact CE1-CG 4.36Å; C66-Y91 HydrophobicContact CB-CE2 4.22Å; V82-Y91 PolarHBondContact N-O 3.41Å; V82-Y91 PolarHBondContact O-N 3.04Å; P84-Y91 HydrophobicContact CB-CE2 4.23Å; P84-Y91 HydrophobicContact CG-CD2 3.95Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å; Y91-I100 HydrophobicContact CD1-CG2 3.83Å; Y91-I100 HydrophobicContact CG-CG2 4.37Å; Y91-L101 WeakPolarHBondContact CA-O 3.25Å; Y91-T102 HydrophobicContact CD1-CG2 4.22Å; Y91-T102 HydrophobicContact CE1-CG2 4.01Å; Y91-T102 WeakPolarHBondContact CE1-OG1 3.09Å |
| 92 | Y | 91.7 | Very high | 88.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.3 | 165.8 | -66.7 | -93.3 | 0 | 0 | 0 | 108.2 | K79 V80 L81 I100 L101 A103 F125 C142 | K79-Y92 HydrophobicContact CB-CD1 4.49Å; V80-Y92 CarbonylContact O-C 3.58Å; V80-Y92 WeakPolarHBondContact O-CA 3.24Å; L81-Y92 HydrophobicContact CB-CD1 4.23Å; L81-Y92 HydrophobicContact CB-CE1 3.99Å; L81-Y92 HydrophobicContact CD1-CD1 4.21Å; L81-Y92 HydrophobicContact CD1-CD2 4.47Å; L81-Y92 HydrophobicContact CD1-CE1 3.76Å; L81-Y92 HydrophobicContact CD1-CE2 4.05Å; L81-Y92 HydrophobicContact CG-CE1 4.29Å; Y92-I100 CarbonylContact O-C 3.57Å; Y92-I100 WeakPolarHBondContact O-CA 3.49Å; Y92-L101 PolarHBondContact N-O 3.16Å; Y92-L101 PolarHBondContact O-N 3.31Å; Y92-A103 HydrophobicContact CE2-CB 4.08Å; Y92-F125 HydrophobicContact CE1-CE2 4.21Å; Y92-F125 HydrophobicContact CE1-CZ 4.42Å; Y92-F125 VanDerWaalsContact OH-CE2 3.26Å; Y92-F125 WeakPolarHBondContact OH-CE2 3.33Å; Y92-C142 PolarHBondContact OH-SG 2.64Å |
| 93 | Y | 94.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.5 | 163 | 172.8 | -118.1 | 0 | 0 | 0 | 109 | F47 H59 V61 K79 V80 M95 D98 I100 | F47-Y93 HydrophobicContact CD2-CE1 4.37Å; F47-Y93 AromaticContact CE2-CD1 3.78Å; F47-Y93 HydrophobicContact CE2-CD1 3.78Å; F47-Y93 AromaticContact CE2-CE1 3.47Å; F47-Y93 HydrophobicContact CE2-CE1 3.47Å; F47-Y93 VanDerWaalsContact CE2-CE1 3.47Å; F47-Y93 AromaticContact CZ-CD1 3.65Å; F47-Y93 HydrophobicContact CZ-CD1 3.65Å; F47-Y93 AromaticContact CZ-CE1 3.74Å; F47-Y93 HydrophobicContact CZ-CE1 3.74Å; H59-Y93 PolarHBondContact CD2-OH 3Å; H59-Y93 VanDerWaalsContact CD2-OH 3.28Å; H59-Y93 AromaticContact NE2-CZ 3.98Å; H59-Y93 PolarHBondContact NE2-OH 3.34Å; V61-Y93 HydrophobicContact CB-CD2 4.47Å; V61-Y93 HydrophobicContact CB-CE2 4.48Å; V61-Y93 HydrophobicContact CG1-CD2 4.05Å; V61-Y93 HydrophobicContact CG1-CE2 4.3Å; V61-Y93 HydrophobicContact CG2-CD1 4Å; V61-Y93 HydrophobicContact CG2-CD2 3.77Å; V61-Y93 HydrophobicContact CG2-CE1 3.62Å; V61-Y93 HydrophobicContact CG2-CE2 3.4Å; V61-Y93 HydrophobicContact CG2-CG 4.07Å; K79-Y93 CarbonylContact C-O 3.47Å; K79-Y93 WeakPolarHBondContact CA-O 3.26Å; V80-Y93 PolarHBondContact N-O 3.07Å; V80-Y93 PolarHBondContact O-N 3.48Å; Y93-M95 HydrophobicContact CD1-CG 3.72Å; Y93-M95 HydrophobicContact CE1-CB 4.17Å; Y93-M95 HydrophobicContact CE1-CG 3.55Å; Y93-D98 WeakPolarHBondContact CE2-OD1 3.37Å; Y93-D98 PolarHBondContact OH-OD1 3Å; Y93-D98 VanDerWaalsContact OH-OD1 3.13Å; Y93-I100 HydrophobicContact CD2-CG1 4.36Å |
| 94 | D | 94.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 106.5 | 173.8 | -165.5 | -50 | 0 | 0 | 0 | 108.6 | K79 P96 E97 D98 K99 L101 | K79-D94 WeakPolarHBondContact CE-OD2 3.31Å; K79-D94 IonicContact NZ-OD2 2.65Å; K79-D94 PolarHBondContact NZ-OD2 2.87Å; D94-P96 VanDerWaalsContact OD1-CD 3.25Å; D94-P96 WeakPolarHBondContact OD1-CD 3.47Å; D94-E97 HydrophobicContact CB-CB 4.33Å; D94-E97 PolarHBondContact OD1-N 2.84Å; D94-E97 VanDerWaalsContact OD1-N 3.12Å; D94-D98 WeakPolarHBondContact O-CA 3.23Å; D94-D98 PolarHBondContact O-N 2.55Å; D94-K99 PolarHBondContact N-O 3.14Å; D94-K99 PolarHBondContact O-N 2.96Å; D94-L101 HydrophobicContact CB-CD1 4.44Å |
| 95 | M | 94.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -41.7 | -173.4 | -57.9 | -172.6 | -83.8 | 0 | 0 | 112.8 | F47 F73 G77 Q78 V80 Y93 | F47-M95 HydrophobicContact CD1-SD 4.37Å; F47-M95 HydrophobicContact CE1-SD 3.93Å; F47-M95 HydrophobicContact CZ-SD 4.35Å; F73-M95 HydrophobicContact CD1-CE 3.74Å; F73-M95 HydrophobicContact CD1-SD 4.37Å; F73-M95 HydrophobicContact CE1-CE 3.67Å; F73-M95 HydrophobicContact CE1-SD 3.76Å; G77-M95 WeakPolarHBondContact O-CE 3.49Å; Q78-M95 VanDerWaalsContact C-CE 3.44Å; Q78-M95 WeakPolarHBondContact O-CB 3.44Å; Q78-M95 WeakPolarHBondContact O-CE 3.37Å; Q78-M95 WeakPolarHBondContact O-CG 3.32Å; Q78-M95 PolarHBondContact O-N 3.05Å; V80-M95 HydrophobicContact CG2-CE 4.49Å; V80-M95 HydrophobicContact CG2-SD 4.25Å; Y93-M95 HydrophobicContact CD1-CG 3.72Å; Y93-M95 HydrophobicContact CE1-CB 4.17Å; Y93-M95 HydrophobicContact CE1-CG 3.55Å |
| 96 | P | 94.2 | Very high | 89.5 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -41.9 | 174 | -25.9 | 34 | 0 | 0 | 0 | 114.3 | Q78 D94 | Q78-P96 HydrophobicContact CB-CG 4.38Å; Q78-P96 VanDerWaalsContact O-CD 3.27Å; Q78-P96 WeakPolarHBondContact O-CD 3.47Å; D94-P96 VanDerWaalsContact OD1-CD 3.25Å; D94-P96 WeakPolarHBondContact OD1-CD 3.47Å |
| 97 | E | 95.1 | Very high | 90.2 | Very high | 109 Ų | 109 | 68 Ų | 68 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10 | -178.1 | -67.2 | -163 | -169.1 | 0 | 0 | 114.3 | D94 K99 | D94-E97 HydrophobicContact CB-CB 4.33Å; D94-E97 PolarHBondContact OD1-N 2.84Å; D94-E97 VanDerWaalsContact OD1-N 3.12Å; E97-K99 HydrophobicContact CB-CB 4.44Å; E97-K99 HydrophobicContact CB-CD 4.14Å; E97-K99 HydrophobicContact CB-CG 4.27Å; E97-K99 WeakPolarHBondContact OE2-CD 3.14Å; E97-K99 IonicContact OE2-NZ 3.23Å; E97-K99 PolarHBondContact OE2-NZ 2.75Å |
| 98 | D | 95 | Very high | 90.5 | Very high | 95 Ų | 95 | 68.8 Ų | 68.8 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 53.3 | -171.3 | -169.8 | 16.2 | 0 | 0 | 0 | 112.1 | H59 Y93 D94 | H59-D98 IonicContact CE1-OD1 2.69Å; H59-D98 IonicContact CE1-OD2 2.82Å; H59-D98 IonicContact NE2-OD1 2.95Å; H59-D98 PolarHBondContact NE2-OD1 3.11Å; Y93-D98 WeakPolarHBondContact CE2-OD1 3.37Å; Y93-D98 PolarHBondContact OH-OD1 3Å; Y93-D98 VanDerWaalsContact OH-OD1 3.13Å; D94-D98 WeakPolarHBondContact O-CA 3.23Å; D94-D98 PolarHBondContact O-N 2.55Å |
| 99 | K | 95.3 | Very high | 90.6 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.9 | -177.3 | -72.2 | 176.9 | -163 | 159.8 | 0 | 112.6 | D94 E97 | D94-K99 PolarHBondContact N-O 3.14Å; D94-K99 PolarHBondContact O-N 2.96Å; E97-K99 HydrophobicContact CB-CB 4.44Å; E97-K99 HydrophobicContact CB-CD 4.14Å; E97-K99 HydrophobicContact CB-CG 4.27Å; E97-K99 WeakPolarHBondContact OE2-CD 3.14Å; E97-K99 IonicContact OE2-NZ 3.23Å; E97-K99 PolarHBondContact OE2-NZ 2.75Å |
| 100 | I | 93.3 | Very high | 90.4 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.1 | 167.4 | -57.2 | 174.4 | 0 | 0 | 0 | 108.6 | V61 F63 Y91 Y92 Y93 | V61-I100 HydrophobicContact CG1-CD1 3.66Å; V61-I100 HydrophobicContact CG1-CG1 3.93Å; F63-I100 HydrophobicContact CD1-CD1 4Å; F63-I100 HydrophobicContact CD1-CG2 4.09Å; F63-I100 HydrophobicContact CE1-CD1 4.08Å; F63-I100 HydrophobicContact CE1-CG1 4.14Å; F63-I100 HydrophobicContact CE1-CG2 3.9Å; F63-I100 HydrophobicContact CG-CD1 4.42Å; Y91-I100 HydrophobicContact CD1-CG2 3.83Å; Y91-I100 HydrophobicContact CG-CG2 4.37Å; Y92-I100 CarbonylContact O-C 3.57Å; Y92-I100 WeakPolarHBondContact O-CA 3.49Å; Y93-I100 HydrophobicContact CD2-CG1 4.36Å |
| 101 | L | 92.2 | Very high | 90.3 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 149.7 | 171.5 | -53 | 174.1 | 0 | 0 | 0 | 109.4 | Y91 Y92 D94 | Y91-L101 WeakPolarHBondContact CA-O 3.25Å; Y92-L101 PolarHBondContact N-O 3.16Å; Y92-L101 PolarHBondContact O-N 3.31Å; D94-L101 HydrophobicContact CB-CD1 4.44Å |
| 102 | T | 90 | Very high | 90.2 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.1 | 177 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | C89 L90 Y91 | C89-T102 HydrophobicContact CB-CG2 3.61Å; L90-T102 WeakPolarHBondContact O-CA 3.27Å; Y91-T102 HydrophobicContact CD1-CG2 4.22Å; Y91-T102 HydrophobicContact CE1-CG2 4.01Å; Y91-T102 WeakPolarHBondContact CE1-OG1 3.09Å |
| 103 | A | 89.1 | Confident | 90 | Very high | 19 Ų | 19 | 70 Ų | 70 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | C89 L90 Y92 C142 | C89-A103 CarbonylContact C-O 3.56Å; C89-A103 VanDerWaalsContact CA-O 3.24Å; C89-A103 WeakPolarHBondContact CA-O 3.35Å; C89-A103 WeakPolarHBondContact CB-O 3.38Å; L90-A103 HydrophobicContact CB-CB 4.42Å; L90-A103 PolarHBondContact N-O 2.97Å; L90-A103 PolarHBondContact O-N 2.82Å; Y92-A103 HydrophobicContact CE2-CB 4.08Å; A103-C142 HydrophobicContact CB-CB 4.21Å |
| 104 | F | 87.9 | Confident | 89.6 | Confident | 174 Ų | 174 | 69.5 Ų | 69.5 | 76% | 0.763 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.4 | 179 | -69.4 | -73.5 | 0 | 0 | 0 | 111.3 | ||
| 105 | W | 89.3 | Confident | 89.4 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 140.9 | 170.4 | -172.6 | -101.6 | 0 | 0 | 0 | 110.5 | H88 L90 R107 D110 L111 P112 F127 V135 L137 | H88-W105 WeakPolarHBondContact O-CB 3.28Å; H88-W105 PolarHBondContact O-N 3.13Å; L90-W105 HydrophobicContact CD1-CE3 4.28Å; L90-W105 HydrophobicContact CD1-CZ3 4.41Å; L90-W105 HydrophobicContact CD2-CE3 3.91Å; L90-W105 HydrophobicContact CD2-CZ3 4.04Å; L90-W105 HydrophobicContact CG-CE3 4.13Å; W105-R107 PolarHBondContact O-N 3.45Å; W105-D110 PolarHBondContact NE1-O 3.43Å; W105-L111 HydrophobicContact CG-CD2 4.29Å; W105-P112 HydrophobicContact CD2-CG 4.5Å; W105-P112 HydrophobicContact CE3-CG 4.13Å; W105-P112 HydrophobicContact CH2-CB 4.05Å; W105-P112 HydrophobicContact CH2-CG 4.08Å; W105-P112 HydrophobicContact CZ2-CG 4.43Å; W105-P112 HydrophobicContact CZ3-CB 4.25Å; W105-P112 HydrophobicContact CZ3-CG 3.91Å; W105-F127 HydrophobicContact CH2-CB 3.63Å; W105-F127 HydrophobicContact CH2-CD1 4.33Å; W105-F127 AromaticContact CH2-CD2 3.74Å; W105-F127 HydrophobicContact CH2-CD2 3.74Å; W105-F127 AromaticContact CH2-CG 3.63Å; W105-F127 HydrophobicContact CH2-CG 3.63Å; W105-F127 HydrophobicContact CZ3-CB 4.21Å; W105-F127 HydrophobicContact CZ3-CD1 4.04Å; W105-F127 AromaticContact CZ3-CD2 3.72Å; W105-F127 HydrophobicContact CZ3-CD2 3.72Å; W105-F127 HydrophobicContact CZ3-CE1 4.38Å; W105-F127 HydrophobicContact CZ3-CE2 4.08Å; W105-F127 AromaticContact CZ3-CG 3.7Å; W105-F127 HydrophobicContact CZ3-CG 3.7Å; W105-F127 HydrophobicContact CZ3-CZ 4.4Å; W105-V135 HydrophobicContact CH2-CB 4.08Å; W105-V135 HydrophobicContact CH2-CG1 4Å; W105-V135 HydrophobicContact CZ2-CB 4.02Å; W105-V135 HydrophobicContact CZ2-CG1 3.92Å; W105-V135 HydrophobicContact CZ2-CG2 4.13Å; W105-L137 HydrophobicContact CE3-CD1 4.25Å; W105-L137 HydrophobicContact CZ3-CD1 3.95Å |
| 106 | P | 87.1 | Confident | 89.4 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 132.7 | 175.5 | -26.5 | 35.2 | 0 | 0 | 0 | 112.3 | F109 L137 L144 | P106-F109 HydrophobicContact CB-CD2 3.82Å; P106-F109 HydrophobicContact CB-CE2 4.27Å; P106-L137 HydrophobicContact CG-CD1 4.43Å; P106-L137 HydrophobicContact CG-CD2 3.57Å; P106-L144 HydrophobicContact CG-CB 4.3Å |
| 107 | R | 85.5 | Confident | 89.5 | Confident | 234 Ų | 234 | 66.2 Ų | 66.2 | 88% | 0.883 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 147.2 | -178 | -63.2 | -174.8 | -174.6 | -175.1 | 2.4 | 111.3 | W105 F109 | W105-R107 PolarHBondContact O-N 3.45Å; R107-F109 VanDerWaalsContact C-N 3.32Å; R107-F109 WeakPolarHBondContact O-CD2 3.5Å; R107-F109 WeakPolarHBondContact O-CE2 3.41Å |
| 108 | G | 82.7 | Confident | 89.5 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 90% | 0.897 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 3.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 109 | F | 82.1 | Confident | 89.6 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -110.8 | 152.4 | 177 | -62.3 | -85 | 0 | 0 | 0 | 111.4 | P106 R107 L144 V147 | P106-F109 HydrophobicContact CB-CD2 3.82Å; P106-F109 HydrophobicContact CB-CE2 4.27Å; R107-F109 VanDerWaalsContact C-N 3.32Å; R107-F109 WeakPolarHBondContact O-CD2 3.5Å; R107-F109 WeakPolarHBondContact O-CE2 3.41Å; F109-L144 HydrophobicContact CD2-CD2 4.45Å; F109-L144 HydrophobicContact CE1-CD2 4.06Å; F109-L144 HydrophobicContact CE2-CD2 3.56Å; F109-L144 HydrophobicContact CZ-CD2 3.32Å; F109-V147 HydrophobicContact CD1-CG2 3.98Å; F109-V147 HydrophobicContact CE1-CG2 3.73Å |
| 110 | D | 83 | Confident | 89.6 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.219 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 140.6 | 173.1 | -64.7 | -24.9 | 0 | 0 | 0 | 110.4 | W105 C129 S130 H131 R133 | W105-D110 PolarHBondContact NE1-O 3.43Å; D110-C129 HydrophobicContact CB-CB 3.94Å; D110-C129 PolarHBondContact O-SG 2.89Å; D110-C129 VanDerWaalsContact O-SG 3.35Å; D110-S130 VanDerWaalsContact CB-OG 3.25Å; D110-S130 WeakPolarHBondContact CB-OG 3.43Å; D110-S130 PolarHBondContact OD2-OG 2.87Å; D110-H131 IonicContact OD2-CD2 3.77Å; D110-R133 IonicContact OD1-NH1 3.49Å; D110-R133 IonicContact OD2-CZ 3.39Å; D110-R133 IonicContact OD2-NH1 3.73Å; D110-R133 PolarHBondContact OD2-NH1 2.85Å |
| 111 | L | 86.7 | Confident | 89.7 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 150.4 | 178.3 | -70.9 | 178 | 0 | 0 | 0 | 110.9 | H87 H88 W105 | H87-L111 WeakPolarHBondContact O-CD2 3.18Å; H88-L111 HydrophobicContact CB-CD2 4.42Å; H88-L111 VanDerWaalsContact ND1-CD2 3.32Å; H88-L111 WeakPolarHBondContact ND1-CD2 3.45Å; W105-L111 HydrophobicContact CG-CD2 4.29Å |
| 112 | P | 89.1 | Confident | 89.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.6 | 176 | 28.7 | -34 | 0 | 0 | 0 | 110.9 | V83 W105 G114 F127 H128 | V83-P112 HydrophobicContact CG1-CB 3.75Å; V83-P112 HydrophobicContact CG1-CG 3.5Å; W105-P112 HydrophobicContact CD2-CG 4.5Å; W105-P112 HydrophobicContact CE3-CG 4.13Å; W105-P112 HydrophobicContact CH2-CB 4.05Å; W105-P112 HydrophobicContact CH2-CG 4.08Å; W105-P112 HydrophobicContact CZ2-CG 4.43Å; W105-P112 HydrophobicContact CZ3-CB 4.25Å; W105-P112 HydrophobicContact CZ3-CG 3.91Å; P112-G114 PolarHBondContact O-N 2.88Å; P112-F127 HydrophobicContact CB-CB 4.17Å; P112-F127 HydrophobicContact CB-CD1 4.34Å; P112-H128 CarbonylContact C-O 3.51Å; P112-H128 WeakPolarHBondContact CA-O 3.27Å |
| 113 | L | 87.9 | Confident | 90 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -7 | 177.1 | -62.1 | 178.6 | 0 | 0 | 0 | 112.9 | K69 T85 H128 | K69-L113 PolarHBondContact NZ-O 3.44Å; T85-L113 WeakPolarHBondContact CG2-O 3.12Å; L113-H128 PolarHBondContact N-O 3.49Å |
| 114 | G | 86.5 | Confident | 90.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.6 | -23 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P112 | P112-G114 PolarHBondContact O-N 2.88Å |
| 115 | E | 91.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 29% | 0.29 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.5 | 171.8 | -67.7 | 87.6 | 165.7 | 0 | 0 | 112.2 | K69 Q70 H128 | K69-E115 VanDerWaalsContact CE-CD 3.45Å; K69-E115 WeakPolarHBondContact CE-OE1 3.45Å; K69-E115 WeakPolarHBondContact CE-OE2 3.36Å; K69-E115 IonicContact NZ-OE1 3.74Å; K69-E115 PolarHBondContact NZ-OE1 2.82Å; K69-E115 IonicContact NZ-OE2 2.71Å; K69-E115 PolarHBondContact NZ-OE2 2.92Å; Q70-E115 VanDerWaalsContact OE1-CA 3.24Å; E115-H128 HydrophobicContact CB-CB 4.17Å; E115-H128 WeakPolarHBondContact CB-ND1 3.41Å; E115-H128 PolarHBondContact O-N 3.21Å |
| 116 | F | 94.7 | Very high | 91 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 159.8 | 173.9 | 70.1 | -74 | 0 | 0 | 0 | 112 | Q70 H72 L81 V83 V118 V126 F127 | Q70-F116 HydrophobicContact CB-CD1 4.28Å; Q70-F116 HydrophobicContact CB-CE1 4Å; Q70-F116 HydrophobicContact CG-CD1 4.33Å; Q70-F116 HydrophobicContact CG-CE1 4.01Å; Q70-F116 PolarHBondContact OE1-O 2.92Å; H72-F116 HydrophobicContact CB-CE2 3.98Å; H72-F116 HydrophobicContact CB-CZ 3.92Å; H72-F116 AromaticContact CD2-CD2 3.95Å; H72-F116 AromaticContact CD2-CE1 3.76Å; H72-F116 AromaticContact CD2-CE2 3.46Å; H72-F116 VanDerWaalsContact CD2-CE2 3.46Å; H72-F116 WeakPolarHBondContact CD2-CE2 2.91Å; H72-F116 AromaticContact CD2-CZ 3.38Å; H72-F116 WeakPolarHBondContact CD2-CZ 3.45Å; H72-F116 AromaticContact CG-CZ 4Å; H72-F116 PolarHBondContact NE2-O 3.25Å; L81-F116 HydrophobicContact CB-CE2 4.24Å; L81-F116 HydrophobicContact CB-CZ 4.28Å; L81-F116 HydrophobicContact CD2-CD2 4.03Å; L81-F116 HydrophobicContact CD2-CE2 3.46Å; L81-F116 VanDerWaalsContact CD2-CE2 3.46Å; L81-F116 HydrophobicContact CD2-CZ 4.11Å; L81-F116 HydrophobicContact CG-CE2 3.79Å; L81-F116 HydrophobicContact CG-CZ 3.91Å; V83-F116 HydrophobicContact CB-CD1 4.17Å; V83-F116 HydrophobicContact CB-CE1 4.17Å; V83-F116 HydrophobicContact CG2-CD1 3.42Å; V83-F116 VanDerWaalsContact CG2-CD1 3.42Å; V83-F116 HydrophobicContact CG2-CD2 4.43Å; V83-F116 HydrophobicContact CG2-CE1 3.4Å; V83-F116 VanDerWaalsContact CG2-CE1 3.4Å; V83-F116 HydrophobicContact CG2-CE2 4.42Å; V83-F116 HydrophobicContact CG2-CG 3.96Å; V83-F116 HydrophobicContact CG2-CZ 3.92Å; F116-V118 HydrophobicContact CD2-CG2 4.43Å; F116-V118 HydrophobicContact CE2-CG2 4.13Å; F116-V126 CarbonylContact C-O 3.58Å; F116-V126 WeakPolarHBondContact CA-O 3.25Å; F116-V126 WeakPolarHBondContact CB-O 3.31Å; F116-F127 HydrophobicContact CB-CB 4.49Å; F116-F127 HydrophobicContact CB-CD1 3.5Å; F116-F127 VanDerWaalsContact CB-CD1 3.5Å; F116-F127 HydrophobicContact CB-CE1 3.89Å; F116-F127 HydrophobicContact CB-CG 4.15Å; F116-F127 HydrophobicContact CD2-CE1 4.07Å; F116-F127 HydrophobicContact CG-CD1 4.04Å; F116-F127 AromaticContact CG-CE1 3.97Å; F116-F127 HydrophobicContact CG-CE1 3.97Å |
| 117 | A | 95.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F125 V126 F159 | A117-F125 WeakPolarHBondContact O-CA 3.48Å; A117-V126 PolarHBondContact N-O 3.28Å; A117-V126 PolarHBondContact O-N 3.22Å; A117-F159 HydrophobicContact CB-CD2 4.14Å; A117-F159 HydrophobicContact CB-CE2 4.12Å |
| 118 | V | 95.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 32.4 Ų | 32.4 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131 | 175 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | H72 V75 F116 F125 | H72-V118 HydrophobicContact CB-CG2 3.83Å; V75-V118 HydrophobicContact CG2-CG1 4.18Å; F116-V118 HydrophobicContact CD2-CG2 4.43Å; F116-V118 HydrophobicContact CE2-CG2 4.13Å; V118-F125 HydrophobicContact CB-CD1 4.12Å; V118-F125 HydrophobicContact CB-CE1 4.1Å; V118-F125 HydrophobicContact CG1-CD1 3.93Å; V118-F125 HydrophobicContact CG1-CE1 3.57Å; V118-F125 HydrophobicContact CG2-CD1 3.76Å; V118-F125 HydrophobicContact CG2-CE1 3.65Å |
| 119 | A | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -66 | 135.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D121 G122 L124 F159 | A119-D121 VanDerWaalsContact CB-OD1 3.26Å; A119-D121 WeakPolarHBondContact CB-OD1 3.32Å; A119-D121 PolarHBondContact O-N 3.35Å; A119-G122 WeakPolarHBondContact O-CA 3.47Å; A119-G122 PolarHBondContact O-N 2.76Å; A119-L124 HydrophobicContact CB-CB 4.14Å; A119-L124 WeakPolarHBondContact CB-O 3.43Å; A119-L124 PolarHBondContact N-O 2.95Å; A119-F159 HydrophobicContact CB-CD1 4.19Å; A119-F159 HydrophobicContact CB-CD2 4.2Å; A119-F159 HydrophobicContact CB-CE1 3.96Å; A119-F159 HydrophobicContact CB-CE2 3.98Å; A119-F159 HydrophobicContact CB-CG 4.27Å; A119-F159 HydrophobicContact CB-CZ 3.83Å | ||
| 120 | P | 95.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 26.1 Ų | 26.1 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.1 | 179.4 | -30.9 | 35.7 | 0 | 0 | 0 | 115.3 | G122 F159 S161 S163 | P120-G122 PolarHBondContact O-N 2.76Å; P120-F159 VanDerWaalsContact CD-CB 3.49Å; P120-F159 HydrophobicContact CG-CB 4.25Å; P120-S161 WeakPolarHBondContact CB-O 3.49Å; P120-S163 VanDerWaalsContact CD-OG 3.23Å; P120-S163 WeakPolarHBondContact CD-OG 3.21Å |
| 121 | D | 95.2 | Very high | 93.2 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.3 | 174 | 71.9 | -7.8 | 0 | 0 | 0 | 113.3 | A119 S123 S163 | A119-D121 VanDerWaalsContact CB-OD1 3.26Å; A119-D121 WeakPolarHBondContact CB-OD1 3.32Å; A119-D121 PolarHBondContact O-N 3.35Å; D121-S123 VanDerWaalsContact C-N 3.27Å; D121-S123 PolarHBondContact O-N 3.49Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.49Å; D121-S123 PolarHBondContact OD1-N 3.12Å; D121-S123 PolarHBondContact OD1-OG 3.02Å; D121-S123 WeakPolarHBondContact OD2-CB 3.39Å; D121-S123 PolarHBondContact OD2-OG 3.39Å; D121-S163 WeakPolarHBondContact CB-OG 3.42Å; D121-S163 PolarHBondContact N-OG 3.4Å |
| 122 | G | 94.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 19% | 0.186 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 71.2 | 16.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V75 A119 P120 S139 | V75-G122 VanDerWaalsContact CG2-CA 3.41Å; A119-G122 WeakPolarHBondContact O-CA 3.47Å; A119-G122 PolarHBondContact O-N 2.76Å; P120-G122 PolarHBondContact O-N 2.76Å; G122-S139 VanDerWaalsContact O-CB 3.22Å; G122-S139 WeakPolarHBondContact O-CB 3.43Å; G122-S139 PolarHBondContact O-OG 2.95Å |
| 123 | S | 94.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 32 Ų | 32 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -82.8 | -30.9 | -176.2 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | D121 S139 | D121-S123 VanDerWaalsContact C-N 3.27Å; D121-S123 PolarHBondContact O-N 3.49Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.49Å; D121-S123 PolarHBondContact OD1-N 3.12Å; D121-S123 PolarHBondContact OD1-OG 3.02Å; D121-S123 WeakPolarHBondContact OD2-CB 3.39Å; D121-S123 PolarHBondContact OD2-OG 3.39Å; S123-S139 PolarHBondContact O-N 3.07Å; S123-S139 PolarHBondContact O-OG 3.24Å |
| 124 | L | 95.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.6 | -165.6 | -67.1 | 163.3 | 0 | 0 | 0 | 112.6 | A119 L137 I145 V180 | A119-L124 HydrophobicContact CB-CB 4.14Å; A119-L124 WeakPolarHBondContact CB-O 3.43Å; A119-L124 PolarHBondContact N-O 2.95Å; L124-L137 WeakPolarHBondContact CA-O 3.41Å; L124-I145 HydrophobicContact CD2-CB 4.02Å; L124-I145 HydrophobicContact CD2-CG1 3.63Å; L124-I145 HydrophobicContact CD2-CG2 4Å; L124-V180 HydrophobicContact CD1-CG1 3.45Å; L124-V180 VanDerWaalsContact CD1-CG1 3.45Å |
| 125 | F | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.4 | 162.9 | -61.8 | -57.6 | 0 | 0 | 0 | 109.8 | T74 L81 Y92 A117 V118 F127 L136 L137 | T74-F125 HydrophobicContact CG2-CZ 4.43Å; L81-F125 HydrophobicContact CB-CZ 4.49Å; L81-F125 HydrophobicContact CD2-CD1 3.68Å; L81-F125 HydrophobicContact CD2-CD2 3.67Å; L81-F125 HydrophobicContact CD2-CE1 3.61Å; L81-F125 HydrophobicContact CD2-CE2 3.6Å; L81-F125 HydrophobicContact CD2-CG 3.72Å; L81-F125 HydrophobicContact CD2-CZ 3.58Å; Y92-F125 HydrophobicContact CE1-CE2 4.21Å; Y92-F125 HydrophobicContact CE1-CZ 4.42Å; Y92-F125 VanDerWaalsContact OH-CE2 3.26Å; Y92-F125 WeakPolarHBondContact OH-CE2 3.33Å; A117-F125 WeakPolarHBondContact O-CA 3.48Å; V118-F125 HydrophobicContact CB-CD1 4.12Å; V118-F125 HydrophobicContact CB-CE1 4.1Å; V118-F125 HydrophobicContact CG1-CD1 3.93Å; V118-F125 HydrophobicContact CG1-CE1 3.57Å; V118-F125 HydrophobicContact CG2-CD1 3.76Å; V118-F125 HydrophobicContact CG2-CE1 3.65Å; F125-F127 HydrophobicContact CB-CD2 4.3Å; F125-F127 HydrophobicContact CB-CE2 3.42Å; F125-F127 VanDerWaalsContact CB-CE2 3.42Å; F125-F127 HydrophobicContact CB-CZ 3.58Å; F125-F127 HydrophobicContact CD2-CZ 4.42Å; F125-F127 HydrophobicContact CG-CE2 4.41Å; F125-F127 HydrophobicContact CG-CZ 4.18Å; F125-L136 WeakPolarHBondContact O-CA 3.26Å; F125-L137 PolarHBondContact N-O 2.82Å; F125-L137 PolarHBondContact O-N 2.88Å |
| 126 | V | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.7 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | F116 A117 L134 V135 L136 F159 L166 | F116-V126 CarbonylContact C-O 3.58Å; F116-V126 WeakPolarHBondContact CA-O 3.25Å; F116-V126 WeakPolarHBondContact CB-O 3.31Å; A117-V126 PolarHBondContact N-O 3.28Å; A117-V126 PolarHBondContact O-N 3.22Å; V126-L134 HydrophobicContact CG1-CB 3.93Å; V126-L134 HydrophobicContact CG1-CD2 3.57Å; V126-L134 HydrophobicContact CG1-CG 4.34Å; V126-V135 WeakPolarHBondContact CA-O 3.4Å; V126-L136 HydrophobicContact CG1-CD1 4.43Å; V126-L136 HydrophobicContact CG2-CD1 3.86Å; V126-L136 HydrophobicContact CG2-CG 3.76Å; V126-F159 HydrophobicContact CB-CE2 4.17Å; V126-F159 HydrophobicContact CB-CZ 4.25Å; V126-F159 HydrophobicContact CG2-CE1 4.32Å; V126-F159 HydrophobicContact CG2-CE2 3.73Å; V126-F159 HydrophobicContact CG2-CZ 3.32Å; V126-L166 HydrophobicContact CG1-CD2 4.11Å; V126-L166 HydrophobicContact CG2-CD1 4.26Å; V126-L166 HydrophobicContact CG2-CD2 3.87Å |
| 127 | F | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.8 | -179.2 | -58.8 | -88 | 0 | 0 | 0 | 111.2 | L81 V83 L90 W105 P112 F116 F125 L134 V135 L137 | L81-F127 HydrophobicContact CD2-CE1 4.31Å; L81-F127 HydrophobicContact CD2-CZ 4.07Å; V83-F127 HydrophobicContact CG1-CD1 4.35Å; V83-F127 HydrophobicContact CG2-CD1 3.95Å; V83-F127 HydrophobicContact CG2-CE1 3.49Å; V83-F127 VanDerWaalsContact CG2-CE1 3.49Å; L90-F127 HydrophobicContact CD1-CE1 4.37Å; L90-F127 HydrophobicContact CD1-CE2 4.35Å; L90-F127 HydrophobicContact CD1-CZ 3.79Å; L90-F127 HydrophobicContact CD2-CE1 3.92Å; L90-F127 HydrophobicContact CD2-CZ 4.18Å; W105-F127 HydrophobicContact CH2-CB 3.63Å; W105-F127 HydrophobicContact CH2-CD1 4.33Å; W105-F127 AromaticContact CH2-CD2 3.74Å; W105-F127 HydrophobicContact CH2-CD2 3.74Å; W105-F127 AromaticContact CH2-CG 3.63Å; W105-F127 HydrophobicContact CH2-CG 3.63Å; W105-F127 HydrophobicContact CZ3-CB 4.21Å; W105-F127 HydrophobicContact CZ3-CD1 4.04Å; W105-F127 AromaticContact CZ3-CD2 3.72Å; W105-F127 HydrophobicContact CZ3-CD2 3.72Å; W105-F127 HydrophobicContact CZ3-CE1 4.38Å; W105-F127 HydrophobicContact CZ3-CE2 4.08Å; W105-F127 AromaticContact CZ3-CG 3.7Å; W105-F127 HydrophobicContact CZ3-CG 3.7Å; W105-F127 HydrophobicContact CZ3-CZ 4.4Å; P112-F127 HydrophobicContact CB-CB 4.17Å; P112-F127 HydrophobicContact CB-CD1 4.34Å; F116-F127 HydrophobicContact CB-CB 4.49Å; F116-F127 HydrophobicContact CB-CD1 3.5Å; F116-F127 VanDerWaalsContact CB-CD1 3.5Å; F116-F127 HydrophobicContact CB-CE1 3.89Å; F116-F127 HydrophobicContact CB-CG 4.15Å; F116-F127 HydrophobicContact CD2-CE1 4.07Å; F116-F127 HydrophobicContact CG-CD1 4.04Å; F116-F127 AromaticContact CG-CE1 3.97Å; F116-F127 HydrophobicContact CG-CE1 3.97Å; F125-F127 HydrophobicContact CB-CD2 4.3Å; F125-F127 HydrophobicContact CB-CE2 3.42Å; F125-F127 VanDerWaalsContact CB-CE2 3.42Å; F125-F127 HydrophobicContact CB-CZ 3.58Å; F125-F127 HydrophobicContact CD2-CZ 4.42Å; F125-F127 HydrophobicContact CG-CE2 4.41Å; F125-F127 HydrophobicContact CG-CZ 4.18Å; F127-L134 VanDerWaalsContact O-CA 3.3Å; F127-L134 WeakPolarHBondContact O-CA 3.15Å; F127-V135 PolarHBondContact N-O 3.24Å; F127-V135 PolarHBondContact O-N 3.13Å; F127-L137 HydrophobicContact CD2-CD1 4.12Å; F127-L137 HydrophobicContact CD2-CG 4.05Å; F127-L137 HydrophobicContact CE2-CB 4.06Å; F127-L137 HydrophobicContact CE2-CD1 3.55Å; F127-L137 HydrophobicContact CE2-CG 3.69Å; F127-L137 HydrophobicContact CZ-CD1 4.31Å |
| 128 | H | 94.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.4 | 174.2 | -66.2 | -173.2 | 0 | 0 | 0 | 109.2 | P112 L113 E115 I154 S157 | P112-H128 CarbonylContact C-O 3.51Å; P112-H128 WeakPolarHBondContact CA-O 3.27Å; L113-H128 PolarHBondContact N-O 3.49Å; E115-H128 HydrophobicContact CB-CB 4.17Å; E115-H128 WeakPolarHBondContact CB-ND1 3.41Å; E115-H128 PolarHBondContact O-N 3.21Å; H128-I154 HydrophobicContact CB-CG2 3.63Å; H128-S157 WeakPolarHBondContact NE2-CB 3.32Å; H128-S157 PolarHBondContact NE2-OG 3.09Å |
| 129 | C | 93.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 165.1 | 179 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | D110 R133 V135 | D110-C129 HydrophobicContact CB-CB 3.94Å; D110-C129 PolarHBondContact O-SG 2.89Å; D110-C129 VanDerWaalsContact O-SG 3.35Å; C129-R133 HydrophobicContact CB-CB 4.06Å; C129-R133 WeakPolarHBondContact CB-O 3.44Å; C129-R133 PolarHBondContact N-O 3.41Å; C129-V135 HydrophobicContact CB-CG2 4.42Å; C129-V135 VanDerWaalsContact SG-CG2 3.55Å |
| 130 | S | 91.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 35 Ų | 35 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 158 | 177 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | D110 G132 R133 | D110-S130 VanDerWaalsContact CB-OG 3.25Å; D110-S130 WeakPolarHBondContact CB-OG 3.43Å; D110-S130 PolarHBondContact OD2-OG 2.87Å; S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 2.94Å; S130-R133 PolarHBondContact O-N 2.87Å |
| 131 | H | 92.7 | Very high | 94 | Very high | 110 Ų | 110 | 35 Ų | 35 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 33.6 | 176.8 | -49.5 | -61.2 | 0 | 0 | 0 | 112.8 | D110 R133 K149 E153 | D110-H131 IonicContact OD2-CD2 3.77Å; H131-R133 PolarHBondContact O-N 2.85Å; H131-K149 PolarHBondContact O-NZ 3.08Å; H131-E153 WeakPolarHBondContact CA-OE1 3.44Å; H131-E153 PolarHBondContact N-OE1 2.77Å; H131-E153 PolarHBondContact N-OE2 2.95Å; H131-E153 VanDerWaalsContact N-OE2 3.08Å |
| 132 | G | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 25.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S130 K149 V150 G152 E153 | S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 2.94Å; G132-K149 WeakPolarHBondContact O-CA 3.16Å; G132-V150 WeakPolarHBondContact O-CG2 3.23Å; G132-V150 PolarHBondContact O-N 2.83Å; G132-G152 WeakPolarHBondContact CA-O 3.49Å; G132-G152 PolarHBondContact N-O 2.88Å; G132-E153 PolarHBondContact N-OE2 3.05Å; G132-E153 VanDerWaalsContact N-OE2 3.15Å |
| 133 | R | 95.5 | Very high | 93.6 | Very high | 95 Ų | 95 | 35.3 Ų | 35.3 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.9 | 177.1 | -72.5 | 177.8 | 175 | 142.2 | -4.7 | 110.4 | D110 C129 S130 H131 V147 L148 | D110-R133 IonicContact OD1-NH1 3.49Å; D110-R133 IonicContact OD2-CZ 3.39Å; D110-R133 IonicContact OD2-NH1 3.73Å; D110-R133 PolarHBondContact OD2-NH1 2.85Å; C129-R133 HydrophobicContact CB-CB 4.06Å; C129-R133 WeakPolarHBondContact CB-O 3.44Å; C129-R133 PolarHBondContact N-O 3.41Å; S130-R133 PolarHBondContact O-N 2.87Å; H131-R133 PolarHBondContact O-N 2.85Å; R133-V147 HydrophobicContact CB-CG1 4.19Å; R133-V147 HydrophobicContact CG-CG1 4.23Å; R133-L148 WeakPolarHBondContact CA-O 3.44Å |
| 134 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118 | 167.3 | -59.3 | 95.6 | 0 | 0 | 0 | 108.7 | V126 F127 L136 V147 L148 V150 I154 L166 W178 | V126-L134 HydrophobicContact CG1-CB 3.93Å; V126-L134 HydrophobicContact CG1-CD2 3.57Å; V126-L134 HydrophobicContact CG1-CG 4.34Å; F127-L134 VanDerWaalsContact O-CA 3.3Å; F127-L134 WeakPolarHBondContact O-CA 3.15Å; L134-L136 HydrophobicContact CB-CD1 4.42Å; L134-V147 CarbonylContact O-C 3.5Å; L134-V147 WeakPolarHBondContact O-CA 3.47Å; L134-L148 HydrophobicContact CB-CB 4.24Å; L134-L148 HydrophobicContact CD1-CB 4.35Å; L134-L148 PolarHBondContact N-O 2.74Å; L134-L148 PolarHBondContact O-N 3.32Å; L134-V150 HydrophobicContact CD1-CG1 4.19Å; L134-I154 HydrophobicContact CD1-CB 4.5Å; L134-I154 HydrophobicContact CD1-CD1 4.03Å; L134-I154 HydrophobicContact CD1-CG1 4.2Å; L134-I154 HydrophobicContact CD2-CD1 3.9Å; L134-I154 HydrophobicContact CD2-CG1 3.91Å; L134-I154 HydrophobicContact CG-CD1 4.25Å; L134-I154 HydrophobicContact CG-CG1 4.03Å; L134-L166 HydrophobicContact CD2-CD2 4.43Å; L134-W178 HydrophobicContact CD1-CH2 3.9Å; L134-W178 HydrophobicContact CD1-CZ2 4.46Å |
| 135 | V | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.5 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 109 | W105 V126 F127 C129 L137 L144 V147 | W105-V135 HydrophobicContact CH2-CB 4.08Å; W105-V135 HydrophobicContact CH2-CG1 4Å; W105-V135 HydrophobicContact CZ2-CB 4.02Å; W105-V135 HydrophobicContact CZ2-CG1 3.92Å; W105-V135 HydrophobicContact CZ2-CG2 4.13Å; V126-V135 WeakPolarHBondContact CA-O 3.4Å; F127-V135 PolarHBondContact N-O 3.24Å; F127-V135 PolarHBondContact O-N 3.13Å; C129-V135 HydrophobicContact CB-CG2 4.42Å; C129-V135 VanDerWaalsContact SG-CG2 3.55Å; V135-L137 HydrophobicContact CG1-CD2 3.75Å; V135-L137 HydrophobicContact CG1-CG 4.27Å; V135-L144 HydrophobicContact CG1-CD1 3.72Å; V135-V147 HydrophobicContact CG2-CG2 4.34Å |
| 136 | L | 96.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.4 | -179.6 | -80.8 | 61.4 | 0 | 0 | 0 | 109.1 | F125 V126 L134 I145 G146 L148 | F125-L136 WeakPolarHBondContact O-CA 3.26Å; V126-L136 HydrophobicContact CG1-CD1 4.43Å; V126-L136 HydrophobicContact CG2-CD1 3.86Å; V126-L136 HydrophobicContact CG2-CG 3.76Å; L134-L136 HydrophobicContact CB-CD1 4.42Å; L136-I145 HydrophobicContact CB-CB 4.24Å; L136-I145 PolarHBondContact O-N 2.89Å; L136-G146 PolarHBondContact N-O 2.9Å; L136-G146 PolarHBondContact O-N 2.86Å; L136-L148 HydrophobicContact CD1-CD1 3.82Å; L136-L148 HydrophobicContact CD1-CG 3.82Å; L136-L148 HydrophobicContact CD2-CD1 4.2Å; L136-L148 HydrophobicContact CD2-CG 4.42Å |
| 137 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 147.2 | 174.4 | -52.5 | -173.7 | 0 | 0 | 0 | 110.9 | L90 W105 P106 L124 F125 F127 V135 S139 D143 L144 | L90-L137 HydrophobicContact CD1-CD1 3.83Å; W105-L137 HydrophobicContact CE3-CD1 4.25Å; W105-L137 HydrophobicContact CZ3-CD1 3.95Å; P106-L137 HydrophobicContact CG-CD1 4.43Å; P106-L137 HydrophobicContact CG-CD2 3.57Å; L124-L137 WeakPolarHBondContact CA-O 3.41Å; F125-L137 PolarHBondContact N-O 2.82Å; F125-L137 PolarHBondContact O-N 2.88Å; F127-L137 HydrophobicContact CD2-CD1 4.12Å; F127-L137 HydrophobicContact CD2-CG 4.05Å; F127-L137 HydrophobicContact CE2-CB 4.06Å; F127-L137 HydrophobicContact CE2-CD1 3.55Å; F127-L137 HydrophobicContact CE2-CG 3.69Å; F127-L137 HydrophobicContact CZ-CD1 4.31Å; V135-L137 HydrophobicContact CG1-CD2 3.75Å; V135-L137 HydrophobicContact CG1-CG 4.27Å; L137-S139 PolarHBondContact O-N 3.12Å; L137-D143 CarbonylContact C-O 3.57Å; L137-D143 VanDerWaalsContact CA-O 3.28Å; L137-D143 WeakPolarHBondContact CA-O 3.41Å; L137-L144 HydrophobicContact CD2-CB 4.33Å; L137-L144 HydrophobicContact CD2-CD1 4Å |
| 138 | S | 93.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 132.1 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | K140 S141 C142 D143 | S138-K140 PolarHBondContact O-N 2.95Å; S138-K140 PolarHBondContact OG-N 2.85Å; S138-S141 WeakPolarHBondContact CB-OG 3.28Å; S138-C142 WeakPolarHBondContact O-CA 3.29Å; S138-C142 PolarHBondContact O-N 3.1Å; S138-D143 PolarHBondContact N-O 2.85Å |
| 139 | S | 91.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.6 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | G122 S123 L137 | G122-S139 VanDerWaalsContact O-CB 3.22Å; G122-S139 WeakPolarHBondContact O-CB 3.43Å; G122-S139 PolarHBondContact O-OG 2.95Å; S123-S139 PolarHBondContact O-N 3.07Å; S123-S139 PolarHBondContact O-OG 3.24Å; L137-S139 PolarHBondContact O-N 3.12Å |
| 140 | K | 89 | Confident | 93.9 | Very high | 195 Ų | 195 | 47.7 Ų | 47.7 | 85% | 0.848 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -47.5 | -173.6 | -175.8 | 178.6 | 179.1 | -180 | 0 | 112.3 | S138 | S138-K140 PolarHBondContact O-N 2.95Å; S138-K140 PolarHBondContact OG-N 2.85Å |
| 141 | S | 89.4 | Confident | 94 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 42% | 0.42 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -12 | -175.5 | 63.3 | 0 | 0 | 0 | 0 | 114 | S138 D143 | S138-S141 WeakPolarHBondContact CB-OG 3.28Å; S141-D143 WeakPolarHBondContact CB-OD2 3.03Å; S141-D143 PolarHBondContact O-N 2.67Å; S141-D143 WeakPolarHBondContact OG-CB 3.35Å; S141-D143 PolarHBondContact OG-N 2.8Å; S141-D143 PolarHBondContact OG-OD2 2.56Å |
| 142 | C | 88.9 | Confident | 94 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | trans | 59 | 17.2 | -168.7 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | Y92 A103 S138 | Y92-C142 PolarHBondContact OH-SG 2.64Å; A103-C142 HydrophobicContact CB-CB 4.21Å; S138-C142 WeakPolarHBondContact O-CA 3.29Å; S138-C142 PolarHBondContact O-N 3.1Å | ||
| 143 | D | 91.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | trans | -71.8 | 147.2 | 174.8 | -65.5 | -43.5 | 0 | 0 | 0 | 111 | L137 S138 S141 I145 | L137-D143 CarbonylContact C-O 3.57Å; L137-D143 VanDerWaalsContact CA-O 3.28Å; L137-D143 WeakPolarHBondContact CA-O 3.41Å; S138-D143 PolarHBondContact N-O 2.85Å; S141-D143 WeakPolarHBondContact CB-OD2 3.03Å; S141-D143 PolarHBondContact O-N 2.67Å; S141-D143 WeakPolarHBondContact OG-CB 3.35Å; S141-D143 PolarHBondContact OG-N 2.8Å; S141-D143 PolarHBondContact OG-OD2 2.56Å; D143-I145 PolarHBondContact O-N 3.12Å | ||
| 144 | L | 93.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 36% | 0.356 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 124.1 | 173.5 | -179.5 | 71.8 | 0 | 0 | 0 | 110.4 | P106 F109 V135 L137 V147 | P106-L144 HydrophobicContact CG-CB 4.3Å; F109-L144 HydrophobicContact CD2-CD2 4.45Å; F109-L144 HydrophobicContact CE1-CD2 4.06Å; F109-L144 HydrophobicContact CE2-CD2 3.56Å; F109-L144 HydrophobicContact CZ-CD2 3.32Å; V135-L144 HydrophobicContact CG1-CD1 3.72Å; L137-L144 HydrophobicContact CD2-CB 4.33Å; L137-L144 HydrophobicContact CD2-CD1 4Å; L144-V147 HydrophobicContact CD1-CG2 4.22Å |
| 145 | I | 95.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -37.4 | 175.5 | -62.2 | -65 | 0 | 0 | 0 | 110.8 | L124 L136 D143 Q183 | L124-I145 HydrophobicContact CD2-CB 4.02Å; L124-I145 HydrophobicContact CD2-CG1 3.63Å; L124-I145 HydrophobicContact CD2-CG2 4Å; L136-I145 HydrophobicContact CB-CB 4.24Å; L136-I145 PolarHBondContact O-N 2.89Å; D143-I145 PolarHBondContact O-N 3.12Å; I145-Q183 PolarHBondContact O-NE2 2.94Å |
| 146 | G | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | 173.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | L136 Q183 | L136-G146 PolarHBondContact N-O 2.9Å; L136-G146 PolarHBondContact O-N 2.86Å; G146-Q183 VanDerWaalsContact CA-OE1 3.31Å |
| 147 | V | 96 | Very high | 94.2 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 121.3 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | F109 R133 L134 V135 L144 | F109-V147 HydrophobicContact CD1-CG2 3.98Å; F109-V147 HydrophobicContact CE1-CG2 3.73Å; R133-V147 HydrophobicContact CB-CG1 4.19Å; R133-V147 HydrophobicContact CG-CG1 4.23Å; L134-V147 CarbonylContact O-C 3.5Å; L134-V147 WeakPolarHBondContact O-CA 3.47Å; V135-V147 HydrophobicContact CG2-CG2 4.34Å; L144-V147 HydrophobicContact CD1-CG2 4.22Å |
| 148 | L | 97.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 159.1 | 172.6 | -49.8 | 174.4 | 0 | 0 | 0 | 109.2 | R133 L134 L136 L166 W178 Q183 | R133-L148 WeakPolarHBondContact CA-O 3.44Å; L134-L148 HydrophobicContact CB-CB 4.24Å; L134-L148 HydrophobicContact CD1-CB 4.35Å; L134-L148 PolarHBondContact N-O 2.74Å; L134-L148 PolarHBondContact O-N 3.32Å; L136-L148 HydrophobicContact CD1-CD1 3.82Å; L136-L148 HydrophobicContact CD1-CG 3.82Å; L136-L148 HydrophobicContact CD2-CD1 4.2Å; L136-L148 HydrophobicContact CD2-CG 4.42Å; L148-L166 HydrophobicContact CD1-CD2 3.55Å; L148-W178 HydrophobicContact CB-CD2 4.48Å; L148-W178 HydrophobicContact CB-CZ2 4.22Å; L148-W178 HydrophobicContact CD1-CB 4.15Å; L148-W178 HydrophobicContact CD1-CD2 3.82Å; L148-W178 HydrophobicContact CD1-CE3 4.11Å; L148-W178 HydrophobicContact CD1-CG 3.81Å; L148-W178 HydrophobicContact CD2-CG 4.27Å; L148-Q183 HydrophobicContact CD2-CB 4.21Å |
| 149 | K | 96.7 | Very high | 94.6 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 137.4 | -177.9 | -173.9 | 169.4 | 174.6 | 68 | 0 | 111.2 | H131 G132 | H131-K149 PolarHBondContact O-NZ 3.08Å; G132-K149 WeakPolarHBondContact O-CA 3.16Å |
| 150 | V | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -109.5 | 161.1 | 166.8 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | G132 L134 I154 Y176 W178 | G132-V150 WeakPolarHBondContact O-CG2 3.23Å; G132-V150 PolarHBondContact O-N 2.83Å; L134-V150 HydrophobicContact CD1-CG1 4.19Å; V150-I154 HydrophobicContact CG1-CD1 4.49Å; V150-I154 HydrophobicContact CG2-CB 4.28Å; V150-Y176 HydrophobicContact CB-CD2 3.89Å; V150-Y176 HydrophobicContact CB-CE2 3.74Å; V150-Y176 HydrophobicContact CB-CG 4.43Å; V150-Y176 HydrophobicContact CG1-CD1 4.29Å; V150-Y176 HydrophobicContact CG1-CD2 3.49Å; V150-Y176 VanDerWaalsContact CG1-CD2 3.49Å; V150-Y176 HydrophobicContact CG1-CE2 3.89Å; V150-Y176 HydrophobicContact CG1-CG 3.74Å; V150-W178 HydrophobicContact CG1-CH2 3.4Å; V150-W178 VanDerWaalsContact CG1-CH2 3.4Å; V150-W178 HydrophobicContact CG1-CZ2 3.71Å | ||
| 151 | D | 94.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -71.5 | 143.2 | 161.9 | -61.3 | -27.4 | 0 | 0 | 0 | 108.7 | S170 K174 Y176 | D151-S170 VanDerWaalsContact O-CB 3.29Å; D151-S170 WeakPolarHBondContact O-CB 3.49Å; D151-S170 PolarHBondContact O-OG 2.95Å; D151-K174 IonicContact OD2-NZ 3.91Å; D151-Y176 WeakPolarHBondContact CB-OH 3.38Å; D151-Y176 PolarHBondContact N-OH 2.83Å; D151-Y176 PolarHBondContact OD2-OH 2.86Å |
| 152 | G | 93.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 72.8 | -153.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G132 | G132-G152 WeakPolarHBondContact CA-O 3.49Å; G132-G152 PolarHBondContact N-O 2.88Å |
| 153 | E | 95.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | trans | -102.1 | 145.1 | 178.3 | -66.5 | -59.1 | 155.6 | 0 | 0 | 110.8 | H131 G132 S170 S171 | H131-E153 WeakPolarHBondContact CA-OE1 3.44Å; H131-E153 PolarHBondContact N-OE1 2.77Å; H131-E153 PolarHBondContact N-OE2 2.95Å; H131-E153 VanDerWaalsContact N-OE2 3.08Å; G132-E153 PolarHBondContact N-OE2 3.05Å; G132-E153 VanDerWaalsContact N-OE2 3.15Å; E153-S170 CarbonylContact O-C 3.59Å; E153-S170 VanDerWaalsContact O-CA 3.28Å; E153-S170 WeakPolarHBondContact O-CA 3.35Å; E153-S171 PolarHBondContact N-OG 3.29Å; E153-S171 VanDerWaalsContact N-OG 3.14Å; E153-S171 PolarHBondContact O-N 2.84Å; E153-S171 PolarHBondContact O-OG 2.86Å | ||
| 154 | I | 96.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 129 | 173.5 | -176.2 | 69.5 | 0 | 0 | 0 | 108.8 | H128 L134 V150 G156 Y169 | H128-I154 HydrophobicContact CB-CG2 3.63Å; L134-I154 HydrophobicContact CD1-CB 4.5Å; L134-I154 HydrophobicContact CD1-CD1 4.03Å; L134-I154 HydrophobicContact CD1-CG1 4.2Å; L134-I154 HydrophobicContact CD2-CD1 3.9Å; L134-I154 HydrophobicContact CD2-CG1 3.91Å; L134-I154 HydrophobicContact CG-CD1 4.25Å; L134-I154 HydrophobicContact CG-CG1 4.03Å; V150-I154 HydrophobicContact CG1-CD1 4.49Å; V150-I154 HydrophobicContact CG2-CB 4.28Å; I154-G156 VanDerWaalsContact CD1-O 3.29Å; I154-G156 WeakPolarHBondContact CD1-O 3.1Å; I154-Y169 WeakPolarHBondContact CD1-O 3.25Å |
| 155 | V | 96.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -13.1 | -178 | -63 | 0 | 0 | 0 | 0 | 113.1 | Y169 | V155-Y169 HydrophobicContact CG2-CD1 3.57Å; V155-Y169 HydrophobicContact CG2-CE1 4.18Å; V155-Y169 HydrophobicContact CG2-CG 3.97Å; V155-Y169 WeakPolarHBondContact CG2-O 3.38Å; V155-Y169 PolarHBondContact N-O 2.83Å |
| 156 | G | 96.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 146.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | I154 G168 Y169 | I154-G156 VanDerWaalsContact CD1-O 3.29Å; I154-G156 WeakPolarHBondContact CD1-O 3.1Å; G156-G168 WeakPolarHBondContact O-CA 3.09Å; G156-Y169 PolarHBondContact O-N 2.89Å |
| 157 | S | 97.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.6 | 171.5 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | H128 Y167 | H128-S157 WeakPolarHBondContact NE2-CB 3.32Å; H128-S157 PolarHBondContact NE2-OG 3.09Å; S157-Y167 CarbonylContact C-O 3.06Å; S157-Y167 WeakPolarHBondContact CA-O 3.26Å; S157-Y167 WeakPolarHBondContact CB-O 3.12Å |
| 158 | A | 97.9 | Very high | 97 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y167 L200 L202 | A158-Y167 PolarHBondContact N-O 3.3Å; A158-Y167 PolarHBondContact O-N 2.9Å; A158-L200 HydrophobicContact CB-CD2 4.37Å; A158-L202 HydrophobicContact CB-CB 3.71Å |
| 159 | F | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 148.8 | 170.9 | -76.4 | -85.4 | 0 | 0 | 0 | 110.3 | A117 A119 P120 V126 L165 L166 V180 L202 | A117-F159 HydrophobicContact CB-CD2 4.14Å; A117-F159 HydrophobicContact CB-CE2 4.12Å; A119-F159 HydrophobicContact CB-CD1 4.19Å; A119-F159 HydrophobicContact CB-CD2 4.2Å; A119-F159 HydrophobicContact CB-CE1 3.96Å; A119-F159 HydrophobicContact CB-CE2 3.98Å; A119-F159 HydrophobicContact CB-CG 4.27Å; A119-F159 HydrophobicContact CB-CZ 3.83Å; P120-F159 VanDerWaalsContact CD-CB 3.49Å; P120-F159 HydrophobicContact CG-CB 4.25Å; V126-F159 HydrophobicContact CB-CE2 4.17Å; V126-F159 HydrophobicContact CB-CZ 4.25Å; V126-F159 HydrophobicContact CG2-CE1 4.32Å; V126-F159 HydrophobicContact CG2-CE2 3.73Å; V126-F159 HydrophobicContact CG2-CZ 3.32Å; F159-L165 WeakPolarHBondContact CA-O 3.41Å; F159-L166 HydrophobicContact CD1-CB 4.3Å; F159-L166 HydrophobicContact CD1-CD1 4.05Å; F159-L166 HydrophobicContact CD2-CD1 4.05Å; F159-L166 HydrophobicContact CE1-CB 4.28Å; F159-L166 HydrophobicContact CE1-CD1 4.02Å; F159-L166 HydrophobicContact CE2-CD1 4.02Å; F159-L166 HydrophobicContact CG-CD1 4.09Å; F159-L166 HydrophobicContact CZ-CD1 4.03Å; F159-V180 HydrophobicContact CD1-CG2 4.16Å; F159-V180 HydrophobicContact CE1-CG1 4.46Å; F159-V180 HydrophobicContact CE1-CG2 3.9Å; F159-L202 VanDerWaalsContact O-CD2 3.25Å; F159-L202 WeakPolarHBondContact O-CD2 3.35Å |
| 160 | S | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -62.6 | 155.2 | 162.3 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | N162 S163 E164 L165 D206 | S160-N162 WeakPolarHBondContact CB-OD1 3.46Å; S160-N162 PolarHBondContact O-N 2.92Å; S160-N162 VanDerWaalsContact O-N 3.12Å; S160-N162 PolarHBondContact OG-OD1 2.82Å; S160-S163 WeakPolarHBondContact O-CA 3.37Å; S160-S163 PolarHBondContact O-N 3.5Å; S160-E164 PolarHBondContact OG-N 3.41Å; S160-L165 PolarHBondContact N-O 2.71Å; S160-L165 PolarHBondContact OG-N 3.35Å; S160-L165 PolarHBondContact OG-O 3.26Å; S160-D206 VanDerWaalsContact CA-OD1 3.3Å; S160-D206 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 161 | S | 97.1 | Very high | 97 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 43% | 0.434 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.6 | -179.2 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | P120 P204 D206 | P120-S161 WeakPolarHBondContact CB-O 3.49Å; S161-P204 WeakPolarHBondContact CB-O 3.45Å; S161-D206 VanDerWaalsContact CB-OD2 3.23Å; S161-D206 WeakPolarHBondContact CB-OD2 3.49Å; S161-D206 VanDerWaalsContact N-CG 3.32Å; S161-D206 PolarHBondContact N-OD1 3.04Å; S161-D206 PolarHBondContact N-OD2 3.28Å; S161-D206 PolarHBondContact OG-OD2 3.26Å |
| 162 | N | 97 | Very high | 97 | Very high | 80 Ų | 80 | 29.9 Ų | 29.9 | 43% | 0.428 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.3 | 176.8 | 72.1 | -5.1 | 0 | 0 | 0 | 114.5 | S160 E164 | S160-N162 WeakPolarHBondContact CB-OD1 3.46Å; S160-N162 PolarHBondContact O-N 2.92Å; S160-N162 VanDerWaalsContact O-N 3.12Å; S160-N162 PolarHBondContact OG-OD1 2.82Å; N162-E164 HydrophobicContact CB-CG 4.38Å; N162-E164 WeakPolarHBondContact ND2-CG 3.35Å; N162-E164 PolarHBondContact ND2-OE2 2.97Å; N162-E164 PolarHBondContact O-N 2.85Å; N162-E164 VanDerWaalsContact O-N 3.12Å; N162-E164 WeakPolarHBondContact OD1-CB 3.23Å; N162-E164 PolarHBondContact OD1-N 3.24Å; N162-E164 VanDerWaalsContact OD1-N 3.1Å |
| 163 | S | 97.2 | Very high | 97 | Very high | 8 Ų | 8 | 28 Ų | 28 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 61.4 | 9 | -178 | -49 | 0 | 0 | 0 | 0 | 116.1 | P120 D121 S160 V180 | P120-S163 VanDerWaalsContact CD-OG 3.23Å; P120-S163 WeakPolarHBondContact CD-OG 3.21Å; D121-S163 WeakPolarHBondContact CB-OG 3.42Å; D121-S163 PolarHBondContact N-OG 3.4Å; S160-S163 WeakPolarHBondContact O-CA 3.37Å; S160-S163 PolarHBondContact O-N 3.5Å; S163-V180 WeakPolarHBondContact O-CG2 3.32Å |
| 164 | E | 97.7 | Very high | 97 | Very high | 118 Ų | 118 | 28.3 Ų | 28.3 | 55% | 0.551 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -81 | -29.2 | -178.5 | -64.8 | -176.2 | 159 | 0 | 0 | 113.1 | S160 N162 V180 | S160-E164 PolarHBondContact OG-N 3.41Å; N162-E164 HydrophobicContact CB-CG 4.38Å; N162-E164 WeakPolarHBondContact ND2-CG 3.35Å; N162-E164 PolarHBondContact ND2-OE2 2.97Å; N162-E164 PolarHBondContact O-N 2.85Å; N162-E164 VanDerWaalsContact O-N 3.12Å; N162-E164 WeakPolarHBondContact OD1-CB 3.23Å; N162-E164 PolarHBondContact OD1-N 3.24Å; N162-E164 VanDerWaalsContact OD1-N 3.1Å; E164-V180 WeakPolarHBondContact O-CG2 3.49Å; E164-V180 PolarHBondContact O-N 2.86Å |
| 165 | L | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 19% | 0.188 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143 | 179.7 | -59.9 | -179.2 | 0 | 0 | 0 | 111.1 | F159 S160 Y167 V177 W178 V186 L227 | F159-L165 WeakPolarHBondContact CA-O 3.41Å; S160-L165 PolarHBondContact N-O 2.71Å; S160-L165 PolarHBondContact OG-N 3.35Å; S160-L165 PolarHBondContact OG-O 3.26Å; L165-Y167 HydrophobicContact CB-CE2 4.13Å; L165-V177 HydrophobicContact CB-CG1 4.31Å; L165-V177 HydrophobicContact CD1-CG1 4.21Å; L165-V177 HydrophobicContact CD2-CG1 4.27Å; L165-W178 VanDerWaalsContact CA-O 3.29Å; L165-W178 WeakPolarHBondContact CA-O 3.28Å; L165-V186 HydrophobicContact CD2-CG2 4.4Å; L165-L227 HydrophobicContact CD1-CD1 4.05Å |
| 166 | L | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.4 | 168 | 176.6 | 70.5 | 0 | 0 | 0 | 108.5 | V126 L134 L148 F159 V177 W178 V180 | V126-L166 HydrophobicContact CG1-CD2 4.11Å; V126-L166 HydrophobicContact CG2-CD1 4.26Å; V126-L166 HydrophobicContact CG2-CD2 3.87Å; L134-L166 HydrophobicContact CD2-CD2 4.43Å; L148-L166 HydrophobicContact CD1-CD2 3.55Å; F159-L166 HydrophobicContact CD1-CB 4.3Å; F159-L166 HydrophobicContact CD1-CD1 4.05Å; F159-L166 HydrophobicContact CD2-CD1 4.05Å; F159-L166 HydrophobicContact CE1-CB 4.28Å; F159-L166 HydrophobicContact CE1-CD1 4.02Å; F159-L166 HydrophobicContact CE2-CD1 4.02Å; F159-L166 HydrophobicContact CG-CD1 4.09Å; F159-L166 HydrophobicContact CZ-CD1 4.03Å; L166-V177 CarbonylContact O-C 3.55Å; L166-V177 WeakPolarHBondContact O-CA 3.46Å; L166-W178 HydrophobicContact CB-CE3 4.37Å; L166-W178 HydrophobicContact CD2-CE3 4.14Å; L166-W178 HydrophobicContact CD2-CZ3 4.45Å; L166-W178 HydrophobicContact CG-CE3 4.17Å; L166-W178 HydrophobicContact CG-CZ3 4.49Å; L166-W178 PolarHBondContact N-O 3.14Å; L166-W178 PolarHBondContact O-N 2.84Å; L166-V180 HydrophobicContact CB-CG2 3.91Å |
| 167 | Y | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.3 | 170.7 | -59.9 | -98.2 | 0 | 0 | 0 | 108.6 | S157 A158 L165 V175 Y176 V177 L202 I209 V223 L227 | S157-Y167 CarbonylContact C-O 3.06Å; S157-Y167 WeakPolarHBondContact CA-O 3.26Å; S157-Y167 WeakPolarHBondContact CB-O 3.12Å; A158-Y167 PolarHBondContact N-O 3.3Å; A158-Y167 PolarHBondContact O-N 2.9Å; L165-Y167 HydrophobicContact CB-CE2 4.13Å; Y167-V175 HydrophobicContact CD1-CG1 4.26Å; Y167-Y176 CarbonylContact C-O 3.59Å; Y167-Y176 WeakPolarHBondContact CA-O 3.28Å; Y167-V177 HydrophobicContact CD1-CB 4.5Å; Y167-V177 HydrophobicContact CD1-CG1 4.29Å; Y167-V177 HydrophobicContact CD1-CG2 3.67Å; Y167-V177 HydrophobicContact CE1-CB 4.49Å; Y167-V177 HydrophobicContact CE1-CG1 3.99Å; Y167-V177 HydrophobicContact CE1-CG2 3.71Å; Y167-L202 HydrophobicContact CD2-CD1 4.34Å; Y167-L202 HydrophobicContact CD2-CD2 3.95Å; Y167-L202 HydrophobicContact CE2-CD1 4.13Å; Y167-L202 HydrophobicContact CE2-CD2 3.77Å; Y167-I209 HydrophobicContact CD1-CD1 3.56Å; Y167-I209 HydrophobicContact CE1-CD1 4.15Å; Y167-I209 HydrophobicContact CG-CD1 3.97Å; Y167-V223 VanDerWaalsContact OH-CG1 3.3Å; Y167-V223 WeakPolarHBondContact OH-CG1 3.22Å; Y167-L227 HydrophobicContact CE1-CD2 4.39Å |
| 168 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G156 V175 Y176 | G156-G168 WeakPolarHBondContact O-CA 3.09Å; G168-V175 CarbonylContact O-C 3.59Å; G168-V175 WeakPolarHBondContact O-CA 3.36Å; G168-Y176 PolarHBondContact N-O 3.34Å; G168-Y176 PolarHBondContact O-N 3.23Å |
| 169 | Y | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.4 | -176.7 | -175.2 | -146.2 | 0 | 0 | 0 | 110.4 | I154 V155 G156 V175 D191 C194 G197 S199 L200 N211 | I154-Y169 WeakPolarHBondContact CD1-O 3.25Å; V155-Y169 HydrophobicContact CG2-CD1 3.57Å; V155-Y169 HydrophobicContact CG2-CE1 4.18Å; V155-Y169 HydrophobicContact CG2-CG 3.97Å; V155-Y169 WeakPolarHBondContact CG2-O 3.38Å; V155-Y169 PolarHBondContact N-O 2.83Å; G156-Y169 PolarHBondContact O-N 2.89Å; Y169-V175 HydrophobicContact CD2-CG2 3.5Å; Y169-V175 VanDerWaalsContact CD2-CG2 3.5Å; Y169-V175 HydrophobicContact CE2-CG2 4.06Å; Y169-V175 HydrophobicContact CG-CG2 4.19Å; Y169-D191 HydrophobicContact CE2-CB 3.91Å; Y169-D191 PolarHBondContact OH-OD2 2.99Å; Y169-C194 PolarHBondContact OH-SG 3.06Å; Y169-G197 VanDerWaalsContact CE1-CA 3.49Å; Y169-G197 VanDerWaalsContact CZ-CA 3.42Å; Y169-G197 VanDerWaalsContact OH-CA 3.24Å; Y169-G197 WeakPolarHBondContact OH-CA 3.3Å; Y169-S199 VanDerWaalsContact CD1-O 3.25Å; Y169-S199 WeakPolarHBondContact CD1-O 3.19Å; Y169-S199 WeakPolarHBondContact CE1-O 3.45Å; Y169-L200 HydrophobicContact CD1-CB 4.26Å; Y169-L200 HydrophobicContact CG-CB 4.49Å; Y169-L200 HydrophobicContact CG-CD1 4.4Å; Y169-N211 HydrophobicContact CE1-CB 4.08Å; Y169-N211 HydrophobicContact CE2-CB 4.44Å |
| 170 | S | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 146.4 | 178.8 | 167.1 | 0 | 0 | 0 | 0 | 111.2 | D151 E153 S172 G173 K174 | D151-S170 VanDerWaalsContact O-CB 3.29Å; D151-S170 WeakPolarHBondContact O-CB 3.49Å; D151-S170 PolarHBondContact O-OG 2.95Å; E153-S170 CarbonylContact O-C 3.59Å; E153-S170 VanDerWaalsContact O-CA 3.28Å; E153-S170 WeakPolarHBondContact O-CA 3.35Å; S170-S172 WeakPolarHBondContact CB-OG 3.47Å; S170-S172 PolarHBondContact O-N 2.77Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 WeakPolarHBondContact OG-CB 3.4Å; S170-S172 PolarHBondContact OG-N 3.22Å; S170-S172 PolarHBondContact OG-OG 2.91Å; S170-G173 PolarHBondContact O-N 2.51Å; S170-K174 WeakPolarHBondContact CB-O 3.5Å; S170-K174 PolarHBondContact N-O 2.93Å |
| 171 | S | 96.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.8 | 168.1 | 62 | 0 | 0 | 0 | 0 | 113.2 | E153 G173 T196 G197 | E153-S171 PolarHBondContact N-OG 3.29Å; E153-S171 VanDerWaalsContact N-OG 3.14Å; E153-S171 PolarHBondContact O-N 2.84Å; E153-S171 PolarHBondContact O-OG 2.86Å; S171-G173 PolarHBondContact O-N 2.88Å; S171-T196 WeakPolarHBondContact O-CA 3.23Å; S171-G197 PolarHBondContact O-N 3.33Å; S171-G197 VanDerWaalsContact O-N 3.13Å |
| 172 | S | 94.8 | Very high | 97.2 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 1.7 | 172.6 | 69 | 0 | 0 | 0 | 0 | 114.7 | S170 | S170-S172 WeakPolarHBondContact CB-OG 3.47Å; S170-S172 PolarHBondContact O-N 2.77Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 WeakPolarHBondContact OG-CB 3.4Å; S170-S172 PolarHBondContact OG-N 3.22Å; S170-S172 PolarHBondContact OG-OG 2.91Å |
| 173 | G | 94.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 77.8 | 21.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S170 S171 D191 | S170-G173 PolarHBondContact O-N 2.51Å; S171-G173 PolarHBondContact O-N 2.88Å; G173-D191 WeakPolarHBondContact O-CB 3.49Å; G173-D191 PolarHBondContact O-N 3.23Å |
| 174 | K | 95.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.2 | 174.9 | -67 | -179.6 | -175.1 | 173.6 | 0 | 110.8 | D151 S170 Y176 I188 F189 | D151-K174 IonicContact OD2-NZ 3.91Å; S170-K174 WeakPolarHBondContact CB-O 3.5Å; S170-K174 PolarHBondContact N-O 2.93Å; K174-Y176 HydrophobicContact CB-CD2 4.43Å; K174-Y176 HydrophobicContact CB-CE2 3.92Å; K174-I188 HydrophobicContact CB-CG2 4.17Å; K174-I188 HydrophobicContact CD-CG2 4.13Å; K174-I188 HydrophobicContact CG-CG2 4.48Å; K174-F189 WeakPolarHBondContact CA-O 3.3Å |
| 175 | V | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.6 | 169.4 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Y167 G168 Y169 I188 F189 I209 | Y167-V175 HydrophobicContact CD1-CG1 4.26Å; G168-V175 CarbonylContact O-C 3.59Å; G168-V175 WeakPolarHBondContact O-CA 3.36Å; Y169-V175 HydrophobicContact CD2-CG2 3.5Å; Y169-V175 VanDerWaalsContact CD2-CG2 3.5Å; Y169-V175 HydrophobicContact CE2-CG2 4.06Å; Y169-V175 HydrophobicContact CG-CG2 4.19Å; V175-I188 WeakPolarHBondContact O-CA 3.44Å; V175-F189 HydrophobicContact CB-CD1 4.03Å; V175-F189 HydrophobicContact CB-CD2 4.28Å; V175-F189 HydrophobicContact CB-CE1 3.54Å; V175-F189 HydrophobicContact CB-CE2 3.82Å; V175-F189 HydrophobicContact CB-CG 4.38Å; V175-F189 HydrophobicContact CB-CZ 3.43Å; V175-F189 VanDerWaalsContact CB-CZ 3.43Å; V175-F189 HydrophobicContact CG1-CD1 4.37Å; V175-F189 HydrophobicContact CG1-CE1 3.54Å; V175-F189 HydrophobicContact CG1-CE2 4.47Å; V175-F189 HydrophobicContact CG1-CZ 3.61Å; V175-F189 HydrophobicContact CG2-CE1 4.35Å; V175-F189 HydrophobicContact CG2-CE2 3.81Å; V175-F189 HydrophobicContact CG2-CZ 3.72Å; V175-F189 PolarHBondContact N-O 2.92Å; V175-F189 PolarHBondContact O-N 2.72Å; V175-I209 HydrophobicContact CG1-CD1 4.3Å |
| 176 | Y | 98.2 | Very high | 97 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.4 | 173.8 | -70.1 | -111.9 | 0 | 0 | 0 | 108.5 | V150 D151 Y167 G168 K174 W178 I188 | V150-Y176 HydrophobicContact CB-CD2 3.89Å; V150-Y176 HydrophobicContact CB-CE2 3.74Å; V150-Y176 HydrophobicContact CB-CG 4.43Å; V150-Y176 HydrophobicContact CG1-CD1 4.29Å; V150-Y176 HydrophobicContact CG1-CD2 3.49Å; V150-Y176 VanDerWaalsContact CG1-CD2 3.49Å; V150-Y176 HydrophobicContact CG1-CE2 3.89Å; V150-Y176 HydrophobicContact CG1-CG 3.74Å; D151-Y176 WeakPolarHBondContact CB-OH 3.38Å; D151-Y176 PolarHBondContact N-OH 2.83Å; D151-Y176 PolarHBondContact OD2-OH 2.86Å; Y167-Y176 CarbonylContact C-O 3.59Å; Y167-Y176 WeakPolarHBondContact CA-O 3.28Å; G168-Y176 PolarHBondContact N-O 3.34Å; G168-Y176 PolarHBondContact O-N 3.23Å; K174-Y176 HydrophobicContact CB-CD2 4.43Å; K174-Y176 HydrophobicContact CB-CE2 3.92Å; Y176-W178 AromaticContact CD1-CZ2 3.97Å; Y176-W178 HydrophobicContact CD1-CZ2 3.97Å; Y176-W178 HydrophobicContact CG-CH2 4.02Å; Y176-W178 AromaticContact CG-CZ2 3.87Å; Y176-W178 HydrophobicContact CG-CZ2 3.87Å; Y176-I188 HydrophobicContact CD1-CD1 3.7Å; Y176-I188 HydrophobicContact CD1-CG1 3.67Å; Y176-I188 HydrophobicContact CD2-CG2 4.48Å; Y176-I188 HydrophobicContact CE1-CD1 3.39Å; Y176-I188 HydrophobicContact CE1-CG1 3.87Å; Y176-I188 HydrophobicContact CE1-CG2 4.48Å; Y176-I188 HydrophobicContact CE2-CG2 4.35Å; Y176-I188 HydrophobicContact CG-CG1 4.2Å |
| 177 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.6 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 107.6 | L165 L166 Y167 C185 V186 K187 F189 L227 | L165-V177 HydrophobicContact CB-CG1 4.31Å; L165-V177 HydrophobicContact CD1-CG1 4.21Å; L165-V177 HydrophobicContact CD2-CG1 4.27Å; L166-V177 CarbonylContact O-C 3.55Å; L166-V177 WeakPolarHBondContact O-CA 3.46Å; Y167-V177 HydrophobicContact CD1-CB 4.5Å; Y167-V177 HydrophobicContact CD1-CG1 4.29Å; Y167-V177 HydrophobicContact CD1-CG2 3.67Å; Y167-V177 HydrophobicContact CE1-CB 4.49Å; Y167-V177 HydrophobicContact CE1-CG1 3.99Å; Y167-V177 HydrophobicContact CE1-CG2 3.71Å; V177-C185 CarbonylContact O-C 3.55Å; V177-C185 WeakPolarHBondContact O-CA 3.24Å; V177-C185 PolarHBondContact O-SG 3.39Å; V177-V186 HydrophobicContact CB-CG2 4.13Å; V177-V186 HydrophobicContact CG1-CG2 3.94Å; V177-V186 WeakPolarHBondContact O-CG2 3.46Å; V177-V186 PolarHBondContact O-N 2.92Å; V177-K187 HydrophobicContact CB-CB 4.03Å; V177-K187 HydrophobicContact CG2-CB 4.07Å; V177-K187 PolarHBondContact N-O 3.03Å; V177-K187 PolarHBondContact O-N 2.87Å; V177-F189 HydrophobicContact CG2-CD1 4.49Å; V177-F189 HydrophobicContact CG2-CE1 4.21Å; V177-L227 HydrophobicContact CB-CD2 4.43Å; V177-L227 HydrophobicContact CG1-CD2 4.03Å; V177-L227 HydrophobicContact CG2-CD2 4.03Å |
| 178 | W | 98.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.9 | 175.3 | -60.1 | -96.3 | 0 | 0 | 0 | 110.7 | L134 L148 V150 L165 L166 Y176 V180 R184 C185 | L134-W178 HydrophobicContact CD1-CH2 3.9Å; L134-W178 HydrophobicContact CD1-CZ2 4.46Å; L148-W178 HydrophobicContact CB-CD2 4.48Å; L148-W178 HydrophobicContact CB-CZ2 4.22Å; L148-W178 HydrophobicContact CD1-CB 4.15Å; L148-W178 HydrophobicContact CD1-CD2 3.82Å; L148-W178 HydrophobicContact CD1-CE3 4.11Å; L148-W178 HydrophobicContact CD1-CG 3.81Å; L148-W178 HydrophobicContact CD2-CG 4.27Å; V150-W178 HydrophobicContact CG1-CH2 3.4Å; V150-W178 VanDerWaalsContact CG1-CH2 3.4Å; V150-W178 HydrophobicContact CG1-CZ2 3.71Å; L165-W178 VanDerWaalsContact CA-O 3.29Å; L165-W178 WeakPolarHBondContact CA-O 3.28Å; L166-W178 HydrophobicContact CB-CE3 4.37Å; L166-W178 HydrophobicContact CD2-CE3 4.14Å; L166-W178 HydrophobicContact CD2-CZ3 4.45Å; L166-W178 HydrophobicContact CG-CE3 4.17Å; L166-W178 HydrophobicContact CG-CZ3 4.49Å; L166-W178 PolarHBondContact N-O 3.14Å; L166-W178 PolarHBondContact O-N 2.84Å; Y176-W178 AromaticContact CD1-CZ2 3.97Å; Y176-W178 HydrophobicContact CD1-CZ2 3.97Å; Y176-W178 HydrophobicContact CG-CH2 4.02Å; Y176-W178 AromaticContact CG-CZ2 3.87Å; Y176-W178 HydrophobicContact CG-CZ2 3.87Å; W178-V180 PolarHBondContact O-N 3.33Å; W178-R184 CarbonylContact C-O 3.53Å; W178-R184 VanDerWaalsContact CA-O 3.25Å; W178-R184 WeakPolarHBondContact CA-O 3.48Å; W178-C185 VanDerWaalsContact CD1-CA 3.48Å; W178-C185 HydrophobicContact CG-CB 4.48Å |
| 179 | N | 98.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.4 | 157.4 | -179.2 | -74.3 | 0 | 0 | 0 | 108 | A181 A182 Q183 R184 V186 | N179-A181 PolarHBondContact OD1-N 2.91Å; N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 VanDerWaalsContact OD1-CB 3.29Å; N179-A182 WeakPolarHBondContact OD1-CB 3.4Å; N179-A182 PolarHBondContact OD1-N 3.28Å; N179-Q183 WeakPolarHBondContact O-CA 3.17Å; N179-Q183 PolarHBondContact O-N 2.75Å; N179-R184 PolarHBondContact N-O 3.42Å; N179-R184 PolarHBondContact O-N 3.06Å; N179-V186 HydrophobicContact CB-CG1 3.88Å |
| 180 | V | 97.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.085 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -47.7 | -171.5 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L124 F159 S163 E164 L166 W178 A182 Q183 | L124-V180 HydrophobicContact CD1-CG1 3.45Å; L124-V180 VanDerWaalsContact CD1-CG1 3.45Å; F159-V180 HydrophobicContact CD1-CG2 4.16Å; F159-V180 HydrophobicContact CE1-CG1 4.46Å; F159-V180 HydrophobicContact CE1-CG2 3.9Å; S163-V180 WeakPolarHBondContact O-CG2 3.32Å; E164-V180 WeakPolarHBondContact O-CG2 3.49Å; E164-V180 PolarHBondContact O-N 2.86Å; L166-V180 HydrophobicContact CB-CG2 3.91Å; W178-V180 PolarHBondContact O-N 3.33Å; V180-A182 PolarHBondContact O-N 3.44Å; V180-Q183 WeakPolarHBondContact O-CG 3.3Å; V180-Q183 PolarHBondContact O-N 2.83Å |
| 181 | A | 96.1 | Very high | 96.4 | Very high | 97 Ų | 97 | 48.6 Ų | 48.6 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -42.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N179 Q183 | N179-A181 PolarHBondContact OD1-N 2.91Å; A181-Q183 VanDerWaalsContact C-N 3.32Å |
| 182 | A | 96.8 | Very high | 96.1 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N179 V180 R184 | N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 VanDerWaalsContact OD1-CB 3.29Å; N179-A182 WeakPolarHBondContact OD1-CB 3.4Å; N179-A182 PolarHBondContact OD1-N 3.28Å; V180-A182 PolarHBondContact O-N 3.44Å; A182-R184 HydrophobicContact CB-CB 4.31Å; A182-R184 HydrophobicContact CB-CG 4.47Å; A182-R184 WeakPolarHBondContact O-CG 3.25Å; A182-R184 PolarHBondContact O-N 2.95Å |
| 183 | Q | 96 | Very high | 95.7 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 39.2 | -171.5 | -58.5 | -174.7 | 29 | 0 | 0 | 113.1 | I145 G146 L148 N179 V180 A181 | I145-Q183 PolarHBondContact O-NE2 2.94Å; G146-Q183 VanDerWaalsContact CA-OE1 3.31Å; L148-Q183 HydrophobicContact CD2-CB 4.21Å; N179-Q183 WeakPolarHBondContact O-CA 3.17Å; N179-Q183 PolarHBondContact O-N 2.75Å; V180-Q183 WeakPolarHBondContact O-CG 3.3Å; V180-Q183 PolarHBondContact O-N 2.83Å; A181-Q183 VanDerWaalsContact C-N 3.32Å |
| 184 | R | 97.3 | Very high | 95.4 | Very high | 182 Ų | 182 | 53 Ų | 53 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.1 | -176.4 | -79 | 173.4 | -173.3 | 178.2 | 1.9 | 110.3 | W178 N179 A182 V186 | W178-R184 CarbonylContact C-O 3.53Å; W178-R184 VanDerWaalsContact CA-O 3.25Å; W178-R184 WeakPolarHBondContact CA-O 3.48Å; N179-R184 PolarHBondContact N-O 3.42Å; N179-R184 PolarHBondContact O-N 3.06Å; A182-R184 HydrophobicContact CB-CB 4.31Å; A182-R184 HydrophobicContact CB-CG 4.47Å; A182-R184 WeakPolarHBondContact O-CG 3.25Å; A182-R184 PolarHBondContact O-N 2.95Å; R184-V186 PolarHBondContact O-N 2.99Å |
| 185 | C | 97.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 55 Ų | 55 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 119.2 | 171.4 | -170.9 | 0 | 0 | 0 | 0 | 108.5 | V177 W178 K187 I188 | V177-C185 CarbonylContact O-C 3.55Å; V177-C185 WeakPolarHBondContact O-CA 3.24Å; V177-C185 PolarHBondContact O-SG 3.39Å; W178-C185 VanDerWaalsContact CD1-CA 3.48Å; W178-C185 HydrophobicContact CG-CB 4.48Å; C185-K187 PolarHBondContact SG-O 3.33Å; C185-K187 VanDerWaalsContact SG-O 3.38Å; C185-I188 VanDerWaalsContact SG-CG1 3.58Å |
| 186 | V | 96.7 | Very high | 94.8 | Very high | 85 Ų | 85 | 58 Ų | 58 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -23.3 | -178.4 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | L165 V177 N179 R184 | L165-V186 HydrophobicContact CD2-CG2 4.4Å; V177-V186 HydrophobicContact CB-CG2 4.13Å; V177-V186 HydrophobicContact CG1-CG2 3.94Å; V177-V186 WeakPolarHBondContact O-CG2 3.46Å; V177-V186 PolarHBondContact O-N 2.92Å; N179-V186 HydrophobicContact CB-CG1 3.88Å; R184-V186 PolarHBondContact O-N 2.99Å |
| 187 | K | 96.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.9 | 179.3 | -168.7 | 68.1 | 167.1 | -162.9 | 0 | 110.6 | V177 C185 V226 S228 | V177-K187 HydrophobicContact CB-CB 4.03Å; V177-K187 HydrophobicContact CG2-CB 4.07Å; V177-K187 PolarHBondContact N-O 3.03Å; V177-K187 PolarHBondContact O-N 2.87Å; C185-K187 PolarHBondContact SG-O 3.33Å; C185-K187 VanDerWaalsContact SG-O 3.38Å; K187-V226 WeakPolarHBondContact CE-O 3.47Å; K187-S228 PolarHBondContact NZ-O 3.47Å |
| 188 | I | 95.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131 | 164.6 | -54.7 | 171.8 | 0 | 0 | 0 | 106.4 | K174 V175 Y176 C185 | K174-I188 HydrophobicContact CB-CG2 4.17Å; K174-I188 HydrophobicContact CD-CG2 4.13Å; K174-I188 HydrophobicContact CG-CG2 4.48Å; V175-I188 WeakPolarHBondContact O-CA 3.44Å; Y176-I188 HydrophobicContact CD1-CD1 3.7Å; Y176-I188 HydrophobicContact CD1-CG1 3.67Å; Y176-I188 HydrophobicContact CD2-CG2 4.48Å; Y176-I188 HydrophobicContact CE1-CD1 3.39Å; Y176-I188 HydrophobicContact CE1-CG1 3.87Å; Y176-I188 HydrophobicContact CE1-CG2 4.48Å; Y176-I188 HydrophobicContact CE2-CG2 4.35Å; Y176-I188 HydrophobicContact CG-CG1 4.2Å; C185-I188 VanDerWaalsContact SG-CG1 3.58Å |
| 189 | F | 95.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.2 | 172.8 | 68.5 | -90.7 | 0 | 0 | 0 | 110.8 | K174 V175 V177 I209 V226 | K174-F189 WeakPolarHBondContact CA-O 3.3Å; V175-F189 HydrophobicContact CB-CD1 4.03Å; V175-F189 HydrophobicContact CB-CD2 4.28Å; V175-F189 HydrophobicContact CB-CE1 3.54Å; V175-F189 HydrophobicContact CB-CE2 3.82Å; V175-F189 HydrophobicContact CB-CG 4.38Å; V175-F189 HydrophobicContact CB-CZ 3.43Å; V175-F189 VanDerWaalsContact CB-CZ 3.43Å; V175-F189 HydrophobicContact CG1-CD1 4.37Å; V175-F189 HydrophobicContact CG1-CE1 3.54Å; V175-F189 HydrophobicContact CG1-CE2 4.47Å; V175-F189 HydrophobicContact CG1-CZ 3.61Å; V175-F189 HydrophobicContact CG2-CE1 4.35Å; V175-F189 HydrophobicContact CG2-CE2 3.81Å; V175-F189 HydrophobicContact CG2-CZ 3.72Å; V175-F189 PolarHBondContact N-O 2.92Å; V175-F189 PolarHBondContact O-N 2.72Å; V177-F189 HydrophobicContact CG2-CD1 4.49Å; V177-F189 HydrophobicContact CG2-CE1 4.21Å; F189-I209 HydrophobicContact CZ-CD1 4.35Å; F189-I209 HydrophobicContact CZ-CG2 4.46Å; F189-V226 HydrophobicContact CD1-CB 3.96Å; F189-V226 HydrophobicContact CD1-CG2 4.38Å; F189-V226 HydrophobicContact CD2-CB 4.27Å; F189-V226 HydrophobicContact CD2-CG1 4.1Å; F189-V226 HydrophobicContact CE1-CB 3.85Å; F189-V226 HydrophobicContact CE1-CG1 4.45Å; F189-V226 HydrophobicContact CE1-CG2 3.82Å; F189-V226 HydrophobicContact CE2-CB 4.17Å; F189-V226 HydrophobicContact CE2-CG1 3.88Å; F189-V226 HydrophobicContact CG-CB 4.16Å; F189-V226 HydrophobicContact CG-CG1 4.47Å; F189-V226 HydrophobicContact CZ-CB 3.95Å; F189-V226 HydrophobicContact CZ-CG1 4.06Å; F189-V226 HydrophobicContact CZ-CG2 3.93Å |
| 190 | A | 94.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 137.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | H192 | A190-H192 PolarHBondContact O-N 3.13Å |
| 191 | D | 94.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | trans | -79.8 | 112 | 170.6 | -175.5 | 29.6 | 0 | 0 | 0 | 109.6 | Y169 G173 A193 C194 N211 N219 Y221 | Y169-D191 HydrophobicContact CE2-CB 3.91Å; Y169-D191 PolarHBondContact OH-OD2 2.99Å; G173-D191 WeakPolarHBondContact O-CB 3.49Å; G173-D191 PolarHBondContact O-N 3.23Å; D191-A193 PolarHBondContact O-N 2.65Å; D191-C194 HydrophobicContact CB-CB 3.98Å; D191-C194 WeakPolarHBondContact O-CB 3.1Å; D191-C194 PolarHBondContact O-N 3.41Å; D191-C194 VanDerWaalsContact OD2-CB 3.24Å; D191-C194 WeakPolarHBondContact OD2-CB 3.19Å; D191-N211 HydrophobicContact CB-CB 4.46Å; D191-N211 PolarHBondContact OD1-ND2 3.17Å; D191-N211 VanDerWaalsContact OD2-CB 3.24Å; D191-N211 WeakPolarHBondContact OD2-CB 3.29Å; D191-N219 WeakPolarHBondContact OD1-CB 3.26Å; D191-N219 PolarHBondContact OD1-ND2 3.41Å; D191-Y221 WeakPolarHBondContact CA-OH 3.47Å; D191-Y221 VanDerWaalsContact OD1-CE2 3.3Å; D191-Y221 WeakPolarHBondContact OD1-CE2 3.19Å; D191-Y221 PolarHBondContact OD1-OH 2.82Å | ||
| 192 | H | 90.2 | Very high | 94.7 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 126.7 | -171 | -174.6 | 83.9 | 0 | 0 | 0 | 112.8 | A190 C194 N219 Y221 P235 | A190-H192 PolarHBondContact O-N 3.13Å; H192-C194 PolarHBondContact O-N 3.49Å; H192-N219 PolarHBondContact O-ND2 2.77Å; H192-Y221 PolarHBondContact N-OH 3.38Å; H192-P235 HydrophobicContact CB-CG 4.21Å |
| 193 | A | 85.6 | Confident | 94.7 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 20.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D191 | D191-A193 PolarHBondContact O-N 2.65Š|
| 194 | C | 88.8 | Confident | 94.8 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | trans | -85.1 | 124.6 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | Y169 D191 H192 T196 G197 C213 | Y169-C194 PolarHBondContact OH-SG 3.06Å; D191-C194 HydrophobicContact CB-CB 3.98Å; D191-C194 WeakPolarHBondContact O-CB 3.1Å; D191-C194 PolarHBondContact O-N 3.41Å; D191-C194 VanDerWaalsContact OD2-CB 3.24Å; D191-C194 WeakPolarHBondContact OD2-CB 3.19Å; H192-C194 PolarHBondContact O-N 3.49Å; C194-T196 PolarHBondContact SG-O 3.09Å; C194-G197 PolarHBondContact SG-N 2.95Å; C194-G197 VanDerWaalsContact SG-N 3.43Å; C194-C213 PolarHBondContact SG-SG 2.99Å | ||
| 195 | V | 84.4 | Confident | 94.7 | Very high | 123 Ų | 123 | 45.7 Ų | 45.7 | 75% | 0.745 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -83 | -47.9 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 196 | T | 95.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -136.9 | 113.5 | 179.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | S171 C194 C213 S214 | S171-T196 WeakPolarHBondContact O-CA 3.23Å; C194-T196 PolarHBondContact SG-O 3.09Å; T196-C213 CarbonylContact O-C 3.58Å; T196-C213 WeakPolarHBondContact O-CA 3.17Å; T196-C213 PolarHBondContact O-SG 3.15Å; T196-S214 WeakPolarHBondContact CG2-OG 3.35Å; T196-S214 PolarHBondContact O-N 2.83Å; T196-S214 PolarHBondContact O-OG 2.87Å |
| 197 | G | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 145.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y169 S171 C194 | Y169-G197 VanDerWaalsContact CE1-CA 3.49Å; Y169-G197 VanDerWaalsContact CZ-CA 3.42Å; Y169-G197 VanDerWaalsContact OH-CA 3.24Å; Y169-G197 WeakPolarHBondContact OH-CA 3.3Å; S171-G197 PolarHBondContact O-N 3.33Å; S171-G197 VanDerWaalsContact O-N 3.13Å; C194-G197 PolarHBondContact SG-N 2.95Å; C194-G197 VanDerWaalsContact SG-N 3.43Å |
| 198 | N | 96.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 44 Ų | 44 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | -29.2 | -175.6 | -158.2 | 76.7 | 0 | 0 | 0 | 115 | G212 V246 | N198-G212 WeakPolarHBondContact CA-O 3.4Å; N198-G212 PolarHBondContact N-O 3.4Å; N198-V246 VanDerWaalsContact ND2-C 3.28Å; N198-V246 PolarHBondContact ND2-O 2.92Å |
| 199 | S | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.9 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | Y169 G212 V246 M249 | Y169-S199 VanDerWaalsContact CD1-O 3.25Å; Y169-S199 WeakPolarHBondContact CD1-O 3.19Å; Y169-S199 WeakPolarHBondContact CE1-O 3.45Å; S199-G212 PolarHBondContact N-O 2.71Å; S199-G212 VanDerWaalsContact N-O 3.11Å; S199-G212 PolarHBondContact O-N 2.94Å; S199-V246 VanDerWaalsContact CB-O 3.28Å; S199-V246 WeakPolarHBondContact CB-O 3.37Å; S199-V246 PolarHBondContact OG-O 2.96Å; S199-M249 WeakPolarHBondContact O-CE 3.11Å |
| 200 | L | 97.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.1 | -178.8 | -175.9 | 73.3 | 0 | 0 | 0 | 109.3 | A158 Y169 I209 A210 N211 | A158-L200 HydrophobicContact CB-CD2 4.37Å; Y169-L200 HydrophobicContact CD1-CB 4.26Å; Y169-L200 HydrophobicContact CG-CB 4.49Å; Y169-L200 HydrophobicContact CG-CD1 4.4Å; L200-I209 HydrophobicContact CD1-CD1 3.71Å; L200-I209 HydrophobicContact CD1-CG1 3.73Å; L200-A210 WeakPolarHBondContact CA-O 3.31Å; L200-N211 WeakPolarHBondContact CD1-OD1 3.21Å |
| 201 | A | 98.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I209 A210 M249 F251 | A201-I209 WeakPolarHBondContact O-CA 3.04Å; A201-A210 PolarHBondContact N-O 3.01Å; A201-A210 PolarHBondContact O-N 3.2Å; A201-M249 HydrophobicContact CB-CB 3.86Å; A201-M249 WeakPolarHBondContact CB-O 3.4Å; A201-F251 HydrophobicContact CB-CD2 3.78Å; A201-F251 HydrophobicContact CB-CE2 3.7Å |
| 202 | L | 98.5 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.1 | 172.5 | -167.2 | 73.3 | 0 | 0 | 0 | 108.5 | A158 F159 Y167 D206 Y208 I209 V223 F251 | A158-L202 HydrophobicContact CB-CB 3.71Å; F159-L202 VanDerWaalsContact O-CD2 3.25Å; F159-L202 WeakPolarHBondContact O-CD2 3.35Å; Y167-L202 HydrophobicContact CD2-CD1 4.34Å; Y167-L202 HydrophobicContact CD2-CD2 3.95Å; Y167-L202 HydrophobicContact CE2-CD1 4.13Å; Y167-L202 HydrophobicContact CE2-CD2 3.77Å; L202-D206 VanDerWaalsContact CD2-OD1 3.28Å; L202-D206 WeakPolarHBondContact CD2-OD1 3.25Å; L202-Y208 WeakPolarHBondContact CD1-O 3.46Å; L202-I209 HydrophobicContact CD1-CB 3.83Å; L202-I209 HydrophobicContact CD1-CD1 4.25Å; L202-I209 HydrophobicContact CD1-CG1 4.07Å; L202-V223 HydrophobicContact CD1-CG2 3.76Å; L202-F251 VanDerWaalsContact C-CD2 3.45Å; L202-F251 WeakPolarHBondContact O-CD2 3.17Å |
| 203 | S | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | trans | -73.1 | 145 | 175.9 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | D205 D206 N207 Y208 | S203-D205 VanDerWaalsContact CB-OD1 3.24Å; S203-D205 WeakPolarHBondContact CB-OD1 3.44Å; S203-D205 PolarHBondContact O-N 2.96Å; S203-D205 VanDerWaalsContact O-N 3.07Å; S203-D205 PolarHBondContact OG-OD1 3.19Å; S203-D206 PolarHBondContact O-N 3.05Å; S203-N207 PolarHBondContact OG-N 2.93Å; S203-Y208 PolarHBondContact N-O 3.29Å; S203-Y208 PolarHBondContact OG-N 3.1Å; S203-Y208 PolarHBondContact OG-O 3.12Å | ||
| 204 | P | 96.8 | Very high | 96.3 | Very high | 66 Ų | 66 | 30 Ų | 30 | 43% | 0.429 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23 | 179.3 | -29.6 | 33.7 | 0 | 0 | 0 | 115.9 | S161 S255 | S161-P204 WeakPolarHBondContact CB-O 3.45Å; P204-S255 VanDerWaalsContact CD-OG 3.26Å; P204-S255 WeakPolarHBondContact CD-OG 3.28Å |
| 205 | D | 97 | Very high | 96.6 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.2 | 177.9 | 68.5 | -8.8 | 0 | 0 | 0 | 113.7 | S203 N207 S255 | S203-D205 VanDerWaalsContact CB-OD1 3.24Å; S203-D205 WeakPolarHBondContact CB-OD1 3.44Å; S203-D205 PolarHBondContact O-N 2.96Å; S203-D205 VanDerWaalsContact O-N 3.07Å; S203-D205 PolarHBondContact OG-OD1 3.19Å; D205-N207 PolarHBondContact O-N 3.1Å; D205-N207 WeakPolarHBondContact OD1-CB 3.38Å; D205-N207 PolarHBondContact OD1-N 2.83Å; D205-N207 VanDerWaalsContact OD1-N 3.11Å; D205-N207 PolarHBondContact OD2-ND2 2.77Å; D205-S255 VanDerWaalsContact CG-CB 3.5Å; D205-S255 PolarHBondContact N-OG 3.44Å; D205-S255 PolarHBondContact OD1-OG 3.31Å; D205-S255 WeakPolarHBondContact OD2-CB 3.32Å |
| 206 | D | 97.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 26.3 Ų | 26.3 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 54.7 | 17.5 | -176.5 | -65.2 | -34.7 | 0 | 0 | 0 | 114.9 | S160 S161 L202 S203 V223 | S160-D206 VanDerWaalsContact CA-OD1 3.3Å; S160-D206 WeakPolarHBondContact CA-OD1 3.47Å; S161-D206 VanDerWaalsContact CB-OD2 3.23Å; S161-D206 WeakPolarHBondContact CB-OD2 3.49Å; S161-D206 VanDerWaalsContact N-CG 3.32Å; S161-D206 PolarHBondContact N-OD1 3.04Å; S161-D206 PolarHBondContact N-OD2 3.28Å; S161-D206 PolarHBondContact OG-OD2 3.26Å; L202-D206 VanDerWaalsContact CD2-OD1 3.28Å; L202-D206 WeakPolarHBondContact CD2-OD1 3.25Å; S203-D206 PolarHBondContact O-N 3.05Å; D206-V223 WeakPolarHBondContact O-CB 3.29Å; D206-V223 WeakPolarHBondContact O-CG2 3.49Å |
| 207 | N | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 24.8 Ų | 24.8 | 41% | 0.406 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -83.7 | -28.8 | -179.9 | -76.1 | -45.4 | 0 | 0 | 0 | 113 | S203 D205 K222 V223 | S203-N207 PolarHBondContact OG-N 2.93Å; D205-N207 PolarHBondContact O-N 3.1Å; D205-N207 WeakPolarHBondContact OD1-CB 3.38Å; D205-N207 PolarHBondContact OD1-N 2.83Å; D205-N207 VanDerWaalsContact OD1-N 3.11Å; D205-N207 PolarHBondContact OD2-ND2 2.77Å; N207-K222 WeakPolarHBondContact O-CA 3.27Å; N207-V223 PolarHBondContact O-N 2.93Å |
| 208 | Y | 98 | Very high | 97.4 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141 | -171.1 | -60.5 | -76.6 | 0 | 0 | 0 | 112.7 | L202 S203 L220 Y221 K222 L236 | L202-Y208 WeakPolarHBondContact CD1-O 3.46Å; S203-Y208 PolarHBondContact N-O 3.29Å; S203-Y208 PolarHBondContact OG-N 3.1Å; S203-Y208 PolarHBondContact OG-O 3.12Å; Y208-L220 HydrophobicContact CD1-CD1 4.2Å; Y208-L220 HydrophobicContact CD1-CD2 4.16Å; Y208-L220 HydrophobicContact CD1-CG 4.14Å; Y208-L220 HydrophobicContact CE1-CD2 4.5Å; Y208-L220 HydrophobicContact CG-CD1 4.37Å; Y208-Y221 WeakPolarHBondContact CA-O 3.35Å; Y208-K222 HydrophobicContact CE1-CG 4.32Å; Y208-L236 HydrophobicContact CD1-CD2 4.39Å; Y208-L236 HydrophobicContact CE1-CD2 3.76Å |
| 209 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134 | 167.2 | -168.7 | 171.3 | 0 | 0 | 0 | 109 | Y167 V175 F189 L200 A201 L202 Y221 V223 V226 | Y167-I209 HydrophobicContact CD1-CD1 3.56Å; Y167-I209 HydrophobicContact CE1-CD1 4.15Å; Y167-I209 HydrophobicContact CG-CD1 3.97Å; V175-I209 HydrophobicContact CG1-CD1 4.3Å; F189-I209 HydrophobicContact CZ-CD1 4.35Å; F189-I209 HydrophobicContact CZ-CG2 4.46Å; L200-I209 HydrophobicContact CD1-CD1 3.71Å; L200-I209 HydrophobicContact CD1-CG1 3.73Å; A201-I209 WeakPolarHBondContact O-CA 3.04Å; L202-I209 HydrophobicContact CD1-CB 3.83Å; L202-I209 HydrophobicContact CD1-CD1 4.25Å; L202-I209 HydrophobicContact CD1-CG1 4.07Å; I209-Y221 HydrophobicContact CG2-CD2 4.26Å; I209-Y221 HydrophobicContact CG2-CG 4.37Å; I209-Y221 PolarHBondContact N-O 2.85Å; I209-Y221 PolarHBondContact O-N 2.87Å; I209-V223 HydrophobicContact CB-CG2 4.31Å; I209-V223 HydrophobicContact CG2-CG2 4.47Å; I209-V226 HydrophobicContact CG2-CG2 4.41Å |
| 210 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L200 A201 V218 N219 L220 M249 F251 L258 | L200-A210 WeakPolarHBondContact CA-O 3.31Å; A201-A210 PolarHBondContact N-O 3.01Å; A201-A210 PolarHBondContact O-N 3.2Å; A210-V218 HydrophobicContact CB-CG1 4.42Å; A210-N219 CarbonylContact C-O 3.58Å; A210-N219 VanDerWaalsContact CA-O 3.29Å; A210-N219 WeakPolarHBondContact CA-O 3.49Å; A210-L220 HydrophobicContact CB-CD1 4.24Å; A210-M249 HydrophobicContact CB-CE 4.04Å; A210-M249 HydrophobicContact CB-SD 3.98Å; A210-M249 WeakPolarHBondContact O-CE 3.34Å; A210-F251 HydrophobicContact CB-CE2 4.03Å; A210-F251 HydrophobicContact CB-CZ 3.96Å; A210-L258 HydrophobicContact CB-CD1 4.27Å; A210-L258 HydrophobicContact CB-CD2 3.59Å |
| 211 | N | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.8 | 176.8 | -60.2 | -20.8 | 0 | 0 | 0 | 109.4 | Y169 D191 L200 V218 N219 Y221 | Y169-N211 HydrophobicContact CE1-CB 4.08Å; Y169-N211 HydrophobicContact CE2-CB 4.44Å; D191-N211 HydrophobicContact CB-CB 4.46Å; D191-N211 PolarHBondContact OD1-ND2 3.17Å; D191-N211 VanDerWaalsContact OD2-CB 3.24Å; D191-N211 WeakPolarHBondContact OD2-CB 3.29Å; L200-N211 WeakPolarHBondContact CD1-OD1 3.21Å; N211-V218 CarbonylContact O-C 3.41Å; N211-V218 VanDerWaalsContact O-CA 3.31Å; N211-V218 WeakPolarHBondContact O-CA 3.39Å; N211-N219 PolarHBondContact N-O 3.01Å; N211-N219 PolarHBondContact O-N 3.44Å; N211-Y221 WeakPolarHBondContact ND2-CE2 3.26Å |
| 212 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N198 S199 | N198-G212 WeakPolarHBondContact CA-O 3.4Å; N198-G212 PolarHBondContact N-O 3.4Å; S199-G212 PolarHBondContact N-O 2.71Å; S199-G212 VanDerWaalsContact N-O 3.11Å; S199-G212 PolarHBondContact O-N 2.94Å |
| 213 | C | 96.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 156.7 | -179.3 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | C194 T196 S215 G216 V217 V246 | C194-C213 PolarHBondContact SG-SG 2.99Å; T196-C213 CarbonylContact O-C 3.58Å; T196-C213 WeakPolarHBondContact O-CA 3.17Å; T196-C213 PolarHBondContact O-SG 3.15Å; C213-S215 PolarHBondContact O-N 2.75Å; C213-S215 VanDerWaalsContact O-N 3.16Å; C213-S215 PolarHBondContact SG-OG 2.87Å; C213-G216 PolarHBondContact O-N 3.19Å; C213-G216 VanDerWaalsContact O-N 3.14Å; C213-V217 HydrophobicContact CB-CB 4.13Å; C213-V217 WeakPolarHBondContact CB-O 3.44Å; C213-V217 PolarHBondContact N-O 3.03Å; C213-V246 WeakPolarHBondContact O-CG2 3.38Å; C213-V246 PolarHBondContact O-N 2.85Å; C213-V246 VanDerWaalsContact O-N 3.12Å |
| 214 | S | 96.5 | Very high | 97.3 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | 170.6 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | T196 A245 | T196-S214 WeakPolarHBondContact CG2-OG 3.35Å; T196-S214 PolarHBondContact O-N 2.83Å; T196-S214 PolarHBondContact O-OG 2.87Å; S214-A245 WeakPolarHBondContact O-CA 3.29Å; S214-A245 WeakPolarHBondContact O-CB 3.47Å; S214-A245 PolarHBondContact O-N 2.83Å |
| 215 | S | 95.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.1 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | C213 V217 | C213-S215 PolarHBondContact O-N 2.75Å; C213-S215 VanDerWaalsContact O-N 3.16Å; C213-S215 PolarHBondContact SG-OG 2.87Å; S215-V217 WeakPolarHBondContact OG-CG2 3.11Å |
| 216 | G | 96 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 90.6 | -1.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C213 L242 T244 | C213-G216 PolarHBondContact O-N 3.19Å; C213-G216 VanDerWaalsContact O-N 3.14Å; G216-L242 CarbonylContact C-O 3.58Å; G216-L242 WeakPolarHBondContact CA-O 3.22Å; G216-T244 WeakPolarHBondContact CA-O 3.29Å; G216-T244 PolarHBondContact N-O 3.1Å |
| 217 | V | 97.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 29 Ų | 29 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | trans | -72.4 | 133.1 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | C213 S215 T238 M240 | C213-V217 HydrophobicContact CB-CB 4.13Å; C213-V217 WeakPolarHBondContact CB-O 3.44Å; C213-V217 PolarHBondContact N-O 3.03Å; S215-V217 WeakPolarHBondContact OG-CG2 3.11Å; V217-T238 HydrophobicContact CG1-CG2 3.47Å; V217-T238 VanDerWaalsContact CG1-CG2 3.47Å; V217-M240 HydrophobicContact CG2-CG 4.29Å | ||
| 218 | V | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.1 | 171 | 178 | 0 | 0 | 0 | 0 | 109.5 | A210 N211 V239 V246 M249 L258 M260 | A210-V218 HydrophobicContact CB-CG1 4.42Å; N211-V218 CarbonylContact O-C 3.41Å; N211-V218 VanDerWaalsContact O-CA 3.31Å; N211-V218 WeakPolarHBondContact O-CA 3.39Å; V218-V239 HydrophobicContact CB-CB 4.33Å; V218-V239 PolarHBondContact N-O 2.86Å; V218-V239 PolarHBondContact O-N 2.9Å; V218-V246 HydrophobicContact CG2-CB 4.43Å; V218-V246 HydrophobicContact CG2-CG1 3.99Å; V218-V246 HydrophobicContact CG2-CG2 3.72Å; V218-M249 HydrophobicContact CB-SD 4.35Å; V218-M249 HydrophobicContact CG1-SD 3.49Å; V218-M249 WeakPolarHBondContact CG1-SD 3.35Å; V218-M249 HydrophobicContact CG2-SD 3.91Å; V218-L258 HydrophobicContact CG1-CD2 4.38Å; V218-M260 HydrophobicContact CB-SD 3.8Å; V218-M260 HydrophobicContact CG1-CG 4.35Å; V218-M260 HydrophobicContact CG1-SD 3.69Å; V218-M260 HydrophobicContact CG2-CB 4.35Å; V218-M260 HydrophobicContact CG2-CG 4.2Å; V218-M260 HydrophobicContact CG2-SD 3.75Å |
| 219 | N | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.8 | 174.2 | -74.5 | -38.3 | 0 | 0 | 0 | 110.4 | D191 H192 A210 N211 Y221 P235 T238 | D191-N219 WeakPolarHBondContact OD1-CB 3.26Å; D191-N219 PolarHBondContact OD1-ND2 3.41Å; H192-N219 PolarHBondContact O-ND2 2.77Å; A210-N219 CarbonylContact C-O 3.58Å; A210-N219 VanDerWaalsContact CA-O 3.29Å; A210-N219 WeakPolarHBondContact CA-O 3.49Å; N211-N219 PolarHBondContact N-O 3.01Å; N211-N219 PolarHBondContact O-N 3.44Å; N219-Y221 HydrophobicContact CB-CD2 4.36Å; N219-Y221 HydrophobicContact CB-CE2 3.46Å; N219-Y221 VanDerWaalsContact CB-CE2 3.46Å; N219-P235 HydrophobicContact CB-CB 3.99Å; N219-T238 WeakPolarHBondContact OD1-CB 3.42Å; N219-T238 WeakPolarHBondContact OD1-CG2 3.42Å; N219-T238 PolarHBondContact OD1-OG1 2.78Å |
| 220 | L | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.7 | 174.6 | -174.1 | 72.1 | 0 | 0 | 0 | 109.1 | Y208 A210 P235 L236 K237 F251 L272 L274 | Y208-L220 HydrophobicContact CD1-CD1 4.2Å; Y208-L220 HydrophobicContact CD1-CD2 4.16Å; Y208-L220 HydrophobicContact CD1-CG 4.14Å; Y208-L220 HydrophobicContact CE1-CD2 4.5Å; Y208-L220 HydrophobicContact CG-CD1 4.37Å; A210-L220 HydrophobicContact CB-CD1 4.24Å; L220-P235 CarbonylContact O-C 3.53Å; L220-L236 HydrophobicContact CD2-CD2 4.45Å; L220-L236 WeakPolarHBondContact O-CA 3.39Å; L220-L236 WeakPolarHBondContact O-CB 3.47Å; L220-L236 PolarHBondContact O-N 3.31Å; L220-K237 HydrophobicContact CB-CB 4.37Å; L220-K237 PolarHBondContact N-O 2.88Å; L220-K237 PolarHBondContact O-N 3.25Å; L220-F251 HydrophobicContact CD1-CE1 4.49Å; L220-F251 HydrophobicContact CD1-CZ 4.15Å; L220-L272 HydrophobicContact CD2-CD2 4.35Å; L220-L274 HydrophobicContact CD1-CD2 3.94Å; L220-L274 HydrophobicContact CD2-CD2 3.78Å |
| 221 | Y | 97.8 | Very high | 95 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.1 | 176.2 | -56.2 | -97.5 | 0 | 0 | 0 | 110.7 | D191 H192 Y208 I209 N211 N219 V226 P235 | D191-Y221 WeakPolarHBondContact CA-OH 3.47Å; D191-Y221 VanDerWaalsContact OD1-CE2 3.3Å; D191-Y221 WeakPolarHBondContact OD1-CE2 3.19Å; D191-Y221 PolarHBondContact OD1-OH 2.82Å; H192-Y221 PolarHBondContact N-OH 3.38Å; Y208-Y221 WeakPolarHBondContact CA-O 3.35Å; I209-Y221 HydrophobicContact CG2-CD2 4.26Å; I209-Y221 HydrophobicContact CG2-CG 4.37Å; I209-Y221 PolarHBondContact N-O 2.85Å; I209-Y221 PolarHBondContact O-N 2.87Å; N211-Y221 WeakPolarHBondContact ND2-CE2 3.26Å; N219-Y221 HydrophobicContact CB-CD2 4.36Å; N219-Y221 HydrophobicContact CB-CE2 3.46Å; N219-Y221 VanDerWaalsContact CB-CE2 3.46Å; Y221-V226 HydrophobicContact CD1-CG1 3.69Å; Y221-V226 HydrophobicContact CG-CG1 3.85Å; Y221-P235 HydrophobicContact CD1-CB 4.16Å; Y221-P235 VanDerWaalsContact CE1-CA 3.43Å; Y221-P235 HydrophobicContact CE1-CB 3.73Å; Y221-P235 HydrophobicContact CE1-CG 4.47Å; Y221-P235 HydrophobicContact CE2-CB 4.34Å |
| 222 | K | 96.8 | Very high | 94.4 | Very high | 100 Ų | 100 | 47.4 Ų | 47.4 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.7 | 161 | -72.5 | -169.1 | 171.6 | -168.9 | 0 | 109.5 | N207 Y208 D224 S225 V226 L236 | N207-K222 WeakPolarHBondContact O-CA 3.27Å; Y208-K222 HydrophobicContact CE1-CG 4.32Å; K222-D224 PolarHBondContact O-N 3.44Å; K222-S225 WeakPolarHBondContact O-CB 3.35Å; K222-S225 PolarHBondContact O-N 2.98Å; K222-V226 PolarHBondContact O-N 2.82Å; K222-L236 HydrophobicContact CG-CD2 4.12Å |
| 223 | V | 96.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | -179.5 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | Y167 L202 D206 N207 I209 S225 V226 L227 | Y167-V223 VanDerWaalsContact OH-CG1 3.3Å; Y167-V223 WeakPolarHBondContact OH-CG1 3.22Å; L202-V223 HydrophobicContact CD1-CG2 3.76Å; D206-V223 WeakPolarHBondContact O-CB 3.29Å; D206-V223 WeakPolarHBondContact O-CG2 3.49Å; N207-V223 PolarHBondContact O-N 2.93Å; I209-V223 HydrophobicContact CB-CG2 4.31Å; I209-V223 HydrophobicContact CG2-CG2 4.47Å; V223-S225 PolarHBondContact O-N 2.95Å; V223-V226 WeakPolarHBondContact O-CG2 3.04Å; V223-V226 PolarHBondContact O-N 3.36Å; V223-V226 VanDerWaalsContact O-N 3.1Å; V223-L227 HydrophobicContact CG1-CD1 3.67Å; V223-L227 HydrophobicContact CG1-CG 4.09Å; V223-L227 WeakPolarHBondContact O-CG 3.31Å; V223-L227 PolarHBondContact O-N 3.35Å |
| 224 | D | 95.2 | Very high | 93.6 | Very high | 122 Ų | 122 | 52.8 Ų | 52.8 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -55.2 | -38.9 | 176.7 | -67.6 | -19.4 | 0 | 0 | 0 | 112.8 | K222 S228 | K222-D224 PolarHBondContact O-N 3.44Å; D224-S228 WeakPolarHBondContact O-CB 3Å; D224-S228 PolarHBondContact O-N 3.01Å |
| 225 | S | 94.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -180 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | K222 V223 S231 | K222-S225 WeakPolarHBondContact O-CB 3.35Å; K222-S225 PolarHBondContact O-N 2.98Å; V223-S225 PolarHBondContact O-N 2.95Å; S225-S231 WeakPolarHBondContact O-CB 3.48Å; S225-S231 PolarHBondContact O-OG 3.2Å |
| 226 | V | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -80.3 | -26.1 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 113 | K187 F189 I209 Y221 K222 V223 | K187-V226 WeakPolarHBondContact CE-O 3.47Å; F189-V226 HydrophobicContact CD1-CB 3.96Å; F189-V226 HydrophobicContact CD1-CG2 4.38Å; F189-V226 HydrophobicContact CD2-CB 4.27Å; F189-V226 HydrophobicContact CD2-CG1 4.1Å; F189-V226 HydrophobicContact CE1-CB 3.85Å; F189-V226 HydrophobicContact CE1-CG1 4.45Å; F189-V226 HydrophobicContact CE1-CG2 3.82Å; F189-V226 HydrophobicContact CE2-CB 4.17Å; F189-V226 HydrophobicContact CE2-CG1 3.88Å; F189-V226 HydrophobicContact CG-CB 4.16Å; F189-V226 HydrophobicContact CG-CG1 4.47Å; F189-V226 HydrophobicContact CZ-CB 3.95Å; F189-V226 HydrophobicContact CZ-CG1 4.06Å; F189-V226 HydrophobicContact CZ-CG2 3.93Å; I209-V226 HydrophobicContact CG2-CG2 4.41Å; Y221-V226 HydrophobicContact CD1-CG1 3.69Å; Y221-V226 HydrophobicContact CG-CG1 3.85Å; K222-V226 PolarHBondContact O-N 2.82Å; V223-V226 WeakPolarHBondContact O-CG2 3.04Å; V223-V226 PolarHBondContact O-N 3.36Å; V223-V226 VanDerWaalsContact O-N 3.1Å |
| 227 | L | 94.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80 | -25.8 | 174.6 | -64.7 | -175.8 | 0 | 0 | 0 | 112.5 | L165 Y167 V177 V223 | L165-L227 HydrophobicContact CD1-CD1 4.05Å; Y167-L227 HydrophobicContact CE1-CD2 4.39Å; V177-L227 HydrophobicContact CB-CD2 4.43Å; V177-L227 HydrophobicContact CG1-CD2 4.03Å; V177-L227 HydrophobicContact CG2-CD2 4.03Å; V223-L227 HydrophobicContact CG1-CD1 3.67Å; V223-L227 HydrophobicContact CG1-CG 4.09Å; V223-L227 WeakPolarHBondContact O-CG 3.31Å; V223-L227 PolarHBondContact O-N 3.35Å |
| 228 | S | 93.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -58.8 | 143.7 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | K187 D224 N230 | K187-S228 PolarHBondContact NZ-O 3.47Å; D224-S228 WeakPolarHBondContact O-CB 3Å; D224-S228 PolarHBondContact O-N 3.01Å; S228-N230 PolarHBondContact O-N 3.46Å; S228-N230 PolarHBondContact OG-N 2.83Å |
| 229 | N | 86.4 | Confident | 93.6 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22 | 172.7 | -72.7 | -26.4 | 0 | 0 | 0 | 112.8 | ||
| 230 | N | 85.7 | Confident | 93.5 | Very high | 152 Ų | 152 | 63.1 Ų | 63.1 | 81% | 0.813 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 23.4 | -179.6 | -61.8 | -24.5 | 0 | 0 | 0 | 112.4 | S228 | S228-N230 PolarHBondContact O-N 3.46Å; S228-N230 PolarHBondContact OG-N 2.83Å |
| 231 | S | 86.3 | Confident | 93.5 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | trans | -62.3 | 133.8 | 175.5 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | S225 G233 | S225-S231 WeakPolarHBondContact O-CB 3.48Å; S225-S231 PolarHBondContact O-OG 3.2Å; S231-G233 PolarHBondContact O-N 2.88Å; S231-G233 PolarHBondContact OG-N 2.95Å | ||
| 232 | D | 85 | Confident | 93.4 | Very high | 119 Ų | 119 | 67.6 Ų | 67.6 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | trans | -77.3 | -7.2 | 168 | 59.8 | 2.2 | 0 | 0 | 0 | 112.2 | L234 | D232-L234 HydrophobicContact CB-CD1 4.48Å; D232-L234 HydrophobicContact CB-CG 4.29Å; D232-L234 PolarHBondContact O-N 3.12Å; D232-L234 PolarHBondContact OD1-N 2.9Å | ||
| 233 | G | 85.1 | Confident | 93.4 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | trans | 70 | 13.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S231 | S231-G233 PolarHBondContact O-N 2.88Å; S231-G233 PolarHBondContact OG-N 2.95Å | ||
| 234 | L | 93.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | trans | -92 | 141.6 | -178.8 | -63.1 | 179.7 | 0 | 0 | 0 | 111.5 | D232 | D232-L234 HydrophobicContact CB-CD1 4.48Å; D232-L234 HydrophobicContact CB-CG 4.29Å; D232-L234 PolarHBondContact O-N 3.12Å; D232-L234 PolarHBondContact OD1-N 2.9Å | ||
| 235 | P | 96.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | trans | -70.1 | 144.1 | 174.4 | 28.3 | -32.8 | 0 | 0 | 0 | 110.6 | H192 N219 L220 Y221 K237 T238 | H192-P235 HydrophobicContact CB-CG 4.21Å; N219-P235 HydrophobicContact CB-CB 3.99Å; L220-P235 CarbonylContact O-C 3.53Å; Y221-P235 HydrophobicContact CD1-CB 4.16Å; Y221-P235 VanDerWaalsContact CE1-CA 3.43Å; Y221-P235 HydrophobicContact CE1-CB 3.73Å; Y221-P235 HydrophobicContact CE1-CG 4.47Å; Y221-P235 HydrophobicContact CE2-CB 4.34Å; P235-K237 PolarHBondContact O-N 3.49Å; P235-T238 WeakPolarHBondContact CG-OG1 3.35Å | ||
| 236 | L | 96 | Very high | 93.7 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -59.7 | -34.5 | 168.4 | 177.4 | 66.4 | 0 | 0 | 0 | 111.1 | Y208 L220 K222 | Y208-L236 HydrophobicContact CD1-CD2 4.39Å; Y208-L236 HydrophobicContact CE1-CD2 3.76Å; L220-L236 HydrophobicContact CD2-CD2 4.45Å; L220-L236 WeakPolarHBondContact O-CA 3.39Å; L220-L236 WeakPolarHBondContact O-CB 3.47Å; L220-L236 PolarHBondContact O-N 3.31Å; K222-L236 HydrophobicContact CG-CD2 4.12Å |
| 237 | K | 97.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 63 Ų | 63 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 135.3 | 176.1 | -179.6 | 66.2 | 175.8 | 178.5 | 0 | 110.3 | L220 P235 V239 R277 | L220-K237 HydrophobicContact CB-CB 4.37Å; L220-K237 PolarHBondContact N-O 2.88Å; L220-K237 PolarHBondContact O-N 3.25Å; P235-K237 PolarHBondContact O-N 3.49Å; K237-V239 HydrophobicContact CG-CG2 3.79Å; K237-R277 HydrophobicContact CB-CB 4.32Å; K237-R277 HydrophobicContact CB-CG 4.48Å; K237-R277 HydrophobicContact CD-CB 4.39Å; K237-R277 HydrophobicContact CG-CB 4.12Å |
| 238 | T | 97.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.3 | 162.9 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | V217 N219 P235 M240 | V217-T238 HydrophobicContact CG1-CG2 3.47Å; V217-T238 VanDerWaalsContact CG1-CG2 3.47Å; N219-T238 WeakPolarHBondContact OD1-CB 3.42Å; N219-T238 WeakPolarHBondContact OD1-CG2 3.42Å; N219-T238 PolarHBondContact OD1-OG1 2.78Å; P235-T238 WeakPolarHBondContact CG-OG1 3.35Å; T238-M240 HydrophobicContact CG2-CG 4.12Å |
| 239 | V | 96.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.9 | -179.2 | -176 | 0 | 0 | 0 | 0 | 108.2 | V218 K237 N241 M260 L272 V279 | V218-V239 HydrophobicContact CB-CB 4.33Å; V218-V239 PolarHBondContact N-O 2.86Å; V218-V239 PolarHBondContact O-N 2.9Å; K237-V239 HydrophobicContact CG-CG2 3.79Å; V239-N241 HydrophobicContact CG1-CB 4.27Å; V239-N241 VanDerWaalsContact CG1-OD1 3.23Å; V239-N241 WeakPolarHBondContact CG1-OD1 3.35Å; V239-M260 HydrophobicContact CG1-CE 3.99Å; V239-M260 HydrophobicContact CG1-SD 4.3Å; V239-L272 HydrophobicContact CG2-CD1 4.01Å; V239-L272 HydrophobicContact CG2-CD2 4.07Å; V239-V279 HydrophobicContact CG1-CG2 3.62Å |
| 240 | M | 96.7 | Very high | 94.7 | Very high | 139 Ų | 139 | 55.1 Ų | 55.1 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | trans | -127.3 | 38.9 | -172.5 | -60.2 | -175.2 | -73.6 | 0 | 0 | 111.2 | V217 T238 | V217-M240 HydrophobicContact CG2-CG 4.29Å; T238-M240 HydrophobicContact CG2-CG 4.12Å | ||
| 241 | N | 96.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | trans | -90.9 | -6.9 | -176.3 | -67 | 73.8 | 0 | 0 | 0 | 113.1 | V239 K270 V279 | V239-N241 HydrophobicContact CG1-CB 4.27Å; V239-N241 VanDerWaalsContact CG1-OD1 3.23Å; V239-N241 WeakPolarHBondContact CG1-OD1 3.35Å; N241-K270 HydrophobicContact CB-CG 4.09Å; N241-V279 HydrophobicContact CB-CG2 4.35Å | ||
| 242 | L | 96.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | trans | -109.1 | 146.1 | 170.2 | -61 | 175 | 0 | 0 | 0 | 108.8 | G216 V246 M260 A268 K270 | G216-L242 CarbonylContact C-O 3.58Å; G216-L242 WeakPolarHBondContact CA-O 3.22Å; L242-V246 HydrophobicContact CD1-CG1 4.26Å; L242-V246 HydrophobicContact CD1-CG2 3.99Å; L242-M260 HydrophobicContact CD1-CB 3.96Å; L242-A268 HydrophobicContact CD2-CB 4.26Å; L242-K270 HydrophobicContact CD2-CG 4.04Å | ||
| 243 | T | 96.1 | Very high | 96.3 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -118.1 | 10.6 | -176 | 64.4 | 0 | 0 | 0 | 0 | 113 | ||
| 244 | T | 97.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -143.7 | 169.3 | -175.6 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | G216 V246 S262 E264 K265 | G216-T244 WeakPolarHBondContact CA-O 3.29Å; G216-T244 PolarHBondContact N-O 3.1Å; T244-V246 PolarHBondContact O-N 2.89Å; T244-S262 WeakPolarHBondContact CB-OG 3.24Å; T244-S262 WeakPolarHBondContact OG1-CB 3.34Å; T244-S262 PolarHBondContact OG1-OG 3.22Å; T244-E264 WeakPolarHBondContact CB-OE2 3.1Å; T244-E264 HydrophobicContact CG2-CB 4.19Å; T244-K265 HydrophobicContact CG2-CB 4.43Å |
| 245 | A | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | trans | -55.4 | 138.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S214 Q247 S262 E264 | S214-A245 WeakPolarHBondContact O-CA 3.29Å; S214-A245 WeakPolarHBondContact O-CB 3.47Å; S214-A245 PolarHBondContact O-N 2.83Å; A245-Q247 VanDerWaalsContact O-CD 3.26Å; A245-Q247 PolarHBondContact O-N 2.81Å; A245-Q247 PolarHBondContact O-NE2 3.33Å; A245-Q247 PolarHBondContact O-OE1 2.87Å; A245-S262 WeakPolarHBondContact O-CB 3.24Å; A245-S262 PolarHBondContact O-OG 3.5Å; A245-E264 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 246 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -84.9 | 92.1 | 178.4 | -173 | 0 | 0 | 0 | 0 | 107.9 | N198 S199 C213 V218 L242 T244 M249 L261 | N198-V246 VanDerWaalsContact ND2-C 3.28Å; N198-V246 PolarHBondContact ND2-O 2.92Å; S199-V246 VanDerWaalsContact CB-O 3.28Å; S199-V246 WeakPolarHBondContact CB-O 3.37Å; S199-V246 PolarHBondContact OG-O 2.96Å; C213-V246 WeakPolarHBondContact O-CG2 3.38Å; C213-V246 PolarHBondContact O-N 2.85Å; C213-V246 VanDerWaalsContact O-N 3.12Å; V218-V246 HydrophobicContact CG2-CB 4.43Å; V218-V246 HydrophobicContact CG2-CG1 3.99Å; V218-V246 HydrophobicContact CG2-CG2 3.72Å; L242-V246 HydrophobicContact CD1-CG1 4.26Å; L242-V246 HydrophobicContact CD1-CG2 3.99Å; T244-V246 PolarHBondContact O-N 2.89Å; V246-M249 HydrophobicContact CG1-CG 3.61Å; V246-M249 HydrophobicContact CG1-SD 3.98Å; V246-L261 CarbonylContact C-O 3.53Å | ||
| 247 | Q | 97 | Very high | 97 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 21% | 0.212 | S | C | . | . | trans | -70.9 | -32.7 | -176.9 | -75.4 | 78.8 | 15.6 | 0 | 0 | 112.9 | A245 L261 S262 E264 | A245-Q247 VanDerWaalsContact O-CD 3.26Å; A245-Q247 PolarHBondContact O-N 2.81Å; A245-Q247 PolarHBondContact O-NE2 3.33Å; A245-Q247 PolarHBondContact O-OE1 2.87Å; Q247-L261 HydrophobicContact CB-CD1 4.45Å; Q247-L261 PolarHBondContact N-O 3.26Å; Q247-L261 VanDerWaalsContact N-O 3.1Å; Q247-S262 PolarHBondContact OE1-OG 2.86Å; Q247-E264 PolarHBondContact NE2-OE1 2.81Å | ||
| 248 | R | 97.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 147.8 | -179.5 | -169.5 | 156.5 | 176.1 | -178.5 | -18.1 | 112.6 | N26 V250 L261 D295 | N26-R248 PolarHBondContact ND2-NH1 2.83Å; R248-V250 HydrophobicContact CG-CG2 4.05Å; R248-L261 HydrophobicContact CB-CD1 4.02Å; R248-L261 HydrophobicContact CB-CD2 3.98Å; R248-L261 HydrophobicContact CB-CG 3.88Å; R248-L261 PolarHBondContact O-N 3.01Å; R248-D295 WeakPolarHBondContact CD-OD1 3.47Å; R248-D295 IonicContact CZ-OD1 2.68Å; R248-D295 IonicContact CZ-OD2 3.62Å; R248-D295 IonicContact NE-OD1 2.76Å; R248-D295 PolarHBondContact NE-OD1 2.83Å; R248-D295 IonicContact NH1-OD1 3.05Å; R248-D295 PolarHBondContact NH1-OD1 2.66Å; R248-D295 IonicContact NH1-OD2 3.75Å; R248-D295 PolarHBondContact NH1-OD2 3.37Å; R248-D295 IonicContact NH2-OD1 3.65Å; R248-D295 PolarHBondContact NH2-OD1 2.83Å; R248-D295 VanDerWaalsContact NH2-OD1 3.13Å; R248-D295 IonicContact NH2-OD2 3.8Å; R248-D295 PolarHBondContact NH2-OD2 3.11Å |
| 249 | M | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.4 | 170.8 | -62.9 | -178 | -67.3 | 0 | 0 | 109.2 | S199 A201 A210 V218 V246 L258 A259 M260 | S199-M249 WeakPolarHBondContact O-CE 3.11Å; A201-M249 HydrophobicContact CB-CB 3.86Å; A201-M249 WeakPolarHBondContact CB-O 3.4Å; A210-M249 HydrophobicContact CB-CE 4.04Å; A210-M249 HydrophobicContact CB-SD 3.98Å; A210-M249 WeakPolarHBondContact O-CE 3.34Å; V218-M249 HydrophobicContact CB-SD 4.35Å; V218-M249 HydrophobicContact CG1-SD 3.49Å; V218-M249 WeakPolarHBondContact CG1-SD 3.35Å; V218-M249 HydrophobicContact CG2-SD 3.91Å; V246-M249 HydrophobicContact CG1-CG 3.61Å; V246-M249 HydrophobicContact CG1-SD 3.98Å; M249-L258 HydrophobicContact CB-CD1 4Å; M249-A259 CarbonylContact C-O 3.53Å; M249-A259 WeakPolarHBondContact CA-O 3.21Å; M249-M260 HydrophobicContact CG-CB 4.19Å; M249-M260 HydrophobicContact CG-CG 4.09Å; M249-M260 HydrophobicContact SD-CG 4.22Å |
| 250 | V | 98.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.8 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | R248 A259 I296 F298 | R248-V250 HydrophobicContact CG-CG2 4.05Å; V250-A259 PolarHBondContact N-O 3.12Å; V250-A259 PolarHBondContact O-N 3.14Å; V250-I296 HydrophobicContact CB-CG2 4.18Å; V250-I296 HydrophobicContact CG2-CG2 3.98Å; V250-F298 HydrophobicContact CG1-CD2 4.14Å |
| 251 | F | 98.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 25.1 Ų | 25.1 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 143.3 | 168.6 | -72.3 | -92.6 | 0 | 0 | 0 | 109.8 | A201 L202 A210 L220 I257 L258 L274 | A201-F251 HydrophobicContact CB-CD2 3.78Å; A201-F251 HydrophobicContact CB-CE2 3.7Å; L202-F251 VanDerWaalsContact C-CD2 3.45Å; L202-F251 WeakPolarHBondContact O-CD2 3.17Å; A210-F251 HydrophobicContact CB-CE2 4.03Å; A210-F251 HydrophobicContact CB-CZ 3.96Å; L220-F251 HydrophobicContact CD1-CE1 4.49Å; L220-F251 HydrophobicContact CD1-CZ 4.15Å; F251-I257 WeakPolarHBondContact CA-O 3.29Å; F251-L258 HydrophobicContact CD1-CB 4.21Å; F251-L258 HydrophobicContact CD1-CD1 4.17Å; F251-L258 HydrophobicContact CD2-CD1 3.77Å; F251-L258 HydrophobicContact CE1-CB 4.05Å; F251-L258 HydrophobicContact CE1-CD1 4.06Å; F251-L258 HydrophobicContact CE1-CG 4.47Å; F251-L258 HydrophobicContact CE2-CD1 3.64Å; F251-L258 HydrophobicContact CG-CD1 4.03Å; F251-L258 HydrophobicContact CZ-CB 4.49Å; F251-L258 HydrophobicContact CZ-CD1 3.79Å; F251-L258 HydrophobicContact CZ-CD2 4.3Å; F251-L258 HydrophobicContact CZ-CG 4.42Å; F251-L274 HydrophobicContact CD1-CD1 3.49Å; F251-L274 VanDerWaalsContact CD1-CD1 3.49Å; F251-L274 HydrophobicContact CE1-CD1 3.48Å; F251-L274 VanDerWaalsContact CE1-CD1 3.48Å; F251-L274 HydrophobicContact CE1-CD2 3.79Å; F251-L274 HydrophobicContact CE1-CG 4.29Å |
| 252 | N | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -73.1 | 164 | 169.1 | 78.9 | -48.8 | 0 | 0 | 0 | 111 | S254 S255 D256 I257 F298 S302 Y322 | N252-S254 PolarHBondContact ND2-OG 3.41Å; N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 VanDerWaalsContact O-N 3.15Å; N252-S255 PolarHBondContact O-N 3.41Å; N252-S255 PolarHBondContact OD1-N 2.91Å; N252-D256 PolarHBondContact OD1-N 2.59Å; N252-I257 HydrophobicContact CB-CB 4.36Å; N252-I257 PolarHBondContact N-O 2.7Å; N252-I257 PolarHBondContact OD1-N 2.61Å; N252-I257 PolarHBondContact OD1-O 2.86Å; N252-F298 HydrophobicContact CB-CB 4.07Å; N252-F298 HydrophobicContact CB-CD1 3.88Å; N252-F298 HydrophobicContact CB-CD2 3.78Å; N252-F298 HydrophobicContact CB-CE1 4.24Å; N252-F298 HydrophobicContact CB-CE2 4.14Å; N252-F298 HydrophobicContact CB-CG 3.64Å; N252-F298 HydrophobicContact CB-CZ 4.36Å; N252-S302 VanDerWaalsContact ND2-CB 3.25Å; N252-S302 WeakPolarHBondContact ND2-CB 3.46Å; N252-S302 PolarHBondContact ND2-OG 3.45Å; N252-Y322 PolarHBondContact ND2-OH 3.21Å | ||
| 253 | G | 95.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 21.6 Ų | 21.6 | 40% | 0.402 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S302 | G253-S302 PolarHBondContact N-OG 3.43Š|
| 254 | S | 94.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 34% | 0.336 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.3 | 177.2 | 73.1 | 0 | 0 | 0 | 0 | 114.8 | N252 D256 S302 Y322 | N252-S254 PolarHBondContact ND2-OG 3.41Å; N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 VanDerWaalsContact O-N 3.15Å; S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 WeakPolarHBondContact CB-OD2 2.89Å; S254-D256 PolarHBondContact O-N 2.96Å; S254-D256 PolarHBondContact OG-OD2 2.84Å; S254-S302 PolarHBondContact N-OG 3.13Å; S254-Y322 VanDerWaalsContact OG-CE1 3.28Å; S254-Y322 WeakPolarHBondContact OG-CE1 3.45Å; S254-Y322 PolarHBondContact OG-OH 2.71Å |
| 255 | S | 96.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 57.8 | 33.4 | -176.3 | -49.7 | 0 | 0 | 0 | 0 | 114.6 | P204 D205 N252 L274 | P204-S255 VanDerWaalsContact CD-OG 3.26Å; P204-S255 WeakPolarHBondContact CD-OG 3.28Å; D205-S255 VanDerWaalsContact CG-CB 3.5Å; D205-S255 PolarHBondContact N-OG 3.44Å; D205-S255 PolarHBondContact OD1-OG 3.31Å; D205-S255 WeakPolarHBondContact OD2-CB 3.32Å; N252-S255 PolarHBondContact O-N 3.41Å; N252-S255 PolarHBondContact OD1-N 2.91Å; S255-L274 WeakPolarHBondContact O-CD1 3.25Å |
| 256 | D | 96.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -102.7 | -24.1 | 176.3 | -69.1 | -58.4 | 0 | 0 | 0 | 113.1 | N252 S254 L274 Y322 | N252-D256 PolarHBondContact OD1-N 2.59Å; S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 WeakPolarHBondContact CB-OD2 2.89Å; S254-D256 PolarHBondContact O-N 2.96Å; S254-D256 PolarHBondContact OG-OD2 2.84Å; D256-L274 PolarHBondContact O-N 3.23Å; D256-Y322 WeakPolarHBondContact CB-OH 3.4Å |
| 257 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134 | -178.5 | -58.5 | 179.7 | 0 | 0 | 0 | 110.2 | M1 L6 F251 N252 L271 L272 F280 F298 L319 Y322 | M1-I257 HydrophobicContact CE-CD1 3.8Å; M1-I257 HydrophobicContact CE-CG1 4.09Å; M1-I257 HydrophobicContact SD-CD1 3.8Å; M1-I257 HydrophobicContact SD-CG1 3.95Å; L6-I257 HydrophobicContact CD1-CD1 3.97Å; F251-I257 WeakPolarHBondContact CA-O 3.29Å; N252-I257 HydrophobicContact CB-CB 4.36Å; N252-I257 PolarHBondContact N-O 2.7Å; N252-I257 PolarHBondContact OD1-N 2.61Å; N252-I257 PolarHBondContact OD1-O 2.86Å; I257-L271 HydrophobicContact CG2-CB 4.11Å; I257-L271 HydrophobicContact CG2-CD2 4.19Å; I257-L272 WeakPolarHBondContact CA-O 3.48Å; I257-F280 HydrophobicContact CD1-CE2 4.3Å; I257-F280 HydrophobicContact CG1-CE2 4.19Å; I257-F298 HydrophobicContact CG2-CZ 4.11Å; I257-L319 HydrophobicContact CD1-CD1 4.19Å; I257-Y322 HydrophobicContact CD1-CE2 4.34Å |
| 258 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.8 | 162.5 | 173.6 | 67.4 | 0 | 0 | 0 | 109.4 | A210 V218 M249 F251 M260 L271 L272 L274 | A210-L258 HydrophobicContact CB-CD1 4.27Å; A210-L258 HydrophobicContact CB-CD2 3.59Å; V218-L258 HydrophobicContact CG1-CD2 4.38Å; M249-L258 HydrophobicContact CB-CD1 4Å; F251-L258 HydrophobicContact CD1-CB 4.21Å; F251-L258 HydrophobicContact CD1-CD1 4.17Å; F251-L258 HydrophobicContact CD2-CD1 3.77Å; F251-L258 HydrophobicContact CE1-CB 4.05Å; F251-L258 HydrophobicContact CE1-CD1 4.06Å; F251-L258 HydrophobicContact CE1-CG 4.47Å; F251-L258 HydrophobicContact CE2-CD1 3.64Å; F251-L258 HydrophobicContact CG-CD1 4.03Å; F251-L258 HydrophobicContact CZ-CB 4.49Å; F251-L258 HydrophobicContact CZ-CD1 3.79Å; F251-L258 HydrophobicContact CZ-CD2 4.3Å; F251-L258 HydrophobicContact CZ-CG 4.42Å; L258-M260 HydrophobicContact CD2-CG 3.91Å; L258-M260 HydrophobicContact CD2-SD 4.05Å; L258-M260 HydrophobicContact CG-CG 3.83Å; L258-M260 HydrophobicContact CG-SD 4.48Å; L258-L271 WeakPolarHBondContact O-CA 3.18Å; L258-L272 HydrophobicContact CB-CB 4.23Å; L258-L272 HydrophobicContact CB-CD2 4.44Å; L258-L272 HydrophobicContact CD2-CD2 4.09Å; L258-L272 PolarHBondContact N-O 3.16Å; L258-L272 PolarHBondContact O-N 3.07Å; L258-L274 HydrophobicContact CB-CD2 4.01Å; L258-L274 HydrophobicContact CB-CG 4.4Å |
| 259 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | M249 V250 L269 L271 I296 F298 | M249-A259 CarbonylContact C-O 3.53Å; M249-A259 WeakPolarHBondContact CA-O 3.21Å; V250-A259 PolarHBondContact N-O 3.12Å; V250-A259 PolarHBondContact O-N 3.14Å; A259-L269 HydrophobicContact CB-CD1 4.22Å; A259-L271 HydrophobicContact CB-CD2 3.53Å; A259-I296 HydrophobicContact CB-CD1 3.64Å; A259-I296 HydrophobicContact CB-CG2 3.82Å; A259-F298 HydrophobicContact CB-CE2 3.81Å; A259-F298 HydrophobicContact CB-CZ 3.97Å |
| 260 | M | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 124.2 | 178.3 | -50.8 | 163.5 | -62.7 | 0 | 0 | 107.7 | V218 V239 L242 M249 L258 L269 K270 L272 V279 | V218-M260 HydrophobicContact CB-SD 3.8Å; V218-M260 HydrophobicContact CG1-CG 4.35Å; V218-M260 HydrophobicContact CG1-SD 3.69Å; V218-M260 HydrophobicContact CG2-CB 4.35Å; V218-M260 HydrophobicContact CG2-CG 4.2Å; V218-M260 HydrophobicContact CG2-SD 3.75Å; V239-M260 HydrophobicContact CG1-CE 3.99Å; V239-M260 HydrophobicContact CG1-SD 4.3Å; L242-M260 HydrophobicContact CD1-CB 3.96Å; M249-M260 HydrophobicContact CG-CB 4.19Å; M249-M260 HydrophobicContact CG-CG 4.09Å; M249-M260 HydrophobicContact SD-CG 4.22Å; L258-M260 HydrophobicContact CD2-CG 3.91Å; L258-M260 HydrophobicContact CD2-SD 4.05Å; L258-M260 HydrophobicContact CG-CG 3.83Å; L258-M260 HydrophobicContact CG-SD 4.48Å; M260-L269 WeakPolarHBondContact O-CA 3.37Å; M260-K270 HydrophobicContact CE-CB 3.9Å; M260-K270 PolarHBondContact N-O 3.42Å; M260-K270 PolarHBondContact O-N 2.74Å; M260-L272 HydrophobicContact CE-CB 3.95Å; M260-L272 HydrophobicContact SD-CB 4.49Å; M260-V279 HydrophobicContact CE-CG2 4.28Å |
| 261 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.5 | -176.4 | 70.9 | 91.2 | 0 | 0 | 0 | 113.2 | V246 Q247 R248 A268 L269 V293 I296 | V246-L261 CarbonylContact C-O 3.53Å; Q247-L261 HydrophobicContact CB-CD1 4.45Å; Q247-L261 PolarHBondContact N-O 3.26Å; Q247-L261 VanDerWaalsContact N-O 3.1Å; R248-L261 HydrophobicContact CB-CD1 4.02Å; R248-L261 HydrophobicContact CB-CD2 3.98Å; R248-L261 HydrophobicContact CB-CG 3.88Å; R248-L261 PolarHBondContact O-N 3.01Å; L261-A268 CarbonylContact C-O 3.56Å; L261-A268 VanDerWaalsContact CA-O 3.25Å; L261-A268 WeakPolarHBondContact CA-O 3.3Å; L261-L269 HydrophobicContact CB-CB 4.39Å; L261-L269 HydrophobicContact CB-CD1 3.88Å; L261-V293 HydrophobicContact CB-CG1 4.26Å; L261-V293 HydrophobicContact CD1-CG1 4.34Å; L261-V293 HydrophobicContact CD2-CG1 3.94Å; L261-V293 HydrophobicContact CG-CG1 4.41Å; L261-I296 HydrophobicContact CD2-CB 4.01Å; L261-I296 HydrophobicContact CD2-CG2 3.62Å |
| 262 | S | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -118.2 | 137.2 | 162.9 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | T244 A245 Q247 E264 A268 | T244-S262 WeakPolarHBondContact CB-OG 3.24Å; T244-S262 WeakPolarHBondContact OG1-CB 3.34Å; T244-S262 PolarHBondContact OG1-OG 3.22Å; A245-S262 WeakPolarHBondContact O-CB 3.24Å; A245-S262 PolarHBondContact O-OG 3.5Å; Q247-S262 PolarHBondContact OE1-OG 2.86Å; S262-E264 PolarHBondContact OG-N 2.67Å; S262-E264 VanDerWaalsContact OG-N 3.14Å; S262-A268 PolarHBondContact N-O 3.19Å | ||
| 263 | S | 96.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -93.2 | -4.1 | 174.8 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | Y292 V293 | S263-Y292 WeakPolarHBondContact O-CD1 3.49Å; S263-V293 WeakPolarHBondContact CA-O 3.25Å; S263-V293 VanDerWaalsContact CB-O 3.26Å; S263-V293 WeakPolarHBondContact CB-O 3.47Å; S263-V293 PolarHBondContact OG-O 2.81Å |
| 264 | E | 97.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 26.7 Ų | 26.7 | 52% | 0.523 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -87.2 | -14 | -178.4 | -74.5 | 170.4 | -158.9 | 0 | 0 | 113.3 | T244 A245 Q247 S262 | T244-E264 WeakPolarHBondContact CB-OE2 3.1Å; T244-E264 HydrophobicContact CG2-CB 4.19Å; A245-E264 WeakPolarHBondContact CB-OE1 3.37Å; Q247-E264 PolarHBondContact NE2-OE1 2.81Å; S262-E264 PolarHBondContact OG-N 2.67Å; S262-E264 VanDerWaalsContact OG-N 3.14Å |
| 265 | K | 95.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 33.7 Ų | 33.7 | 47% | 0.47 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -138.5 | 142.6 | -176.9 | -177 | 176.7 | 179.9 | 177.6 | 0 | 110.8 | T244 A268 | T244-K265 HydrophobicContact CG2-CB 4.43Å; K265-A268 HydrophobicContact CB-CB 3.99Å; K265-A268 HydrophobicContact CG-CB 4.48Å; K265-A268 VanDerWaalsContact O-CB 3.29Å; K265-A268 WeakPolarHBondContact O-CB 3.41Å; K265-A268 PolarHBondContact O-N 3.48Å |
| 266 | E | 95.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 34.7 Ų | 34.7 | 41% | 0.407 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 142.2 | 175.4 | -66.2 | -176.3 | 172.1 | 0 | 0 | 112 | A268 H289 G291 Y292 | E266-A268 PolarHBondContact O-N 3.35Å; E266-H289 IonicContact OE2-CE1 3.08Å; E266-H289 PolarHBondContact OE2-CE1 2.99Å; E266-H289 VanDerWaalsContact OE2-CE1 3.26Å; E266-H289 IonicContact OE2-NE2 2.74Å; E266-G291 CarbonylContact C-O 3.57Å; E266-G291 WeakPolarHBondContact CA-O 3.3Å; E266-Y292 HydrophobicContact CG-CD1 4.33Å; E266-Y292 HydrophobicContact CG-CD2 3.71Å; E266-Y292 HydrophobicContact CG-CE1 4.06Å; E266-Y292 HydrophobicContact CG-CE2 3.36Å; E266-Y292 HydrophobicContact CG-CG 4.17Å; E266-Y292 VanDerWaalsContact OE1-CE2 3.27Å; E266-Y292 WeakPolarHBondContact OE1-CE2 3.39Å |
| 267 | N | 95.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 18.6 | 177.3 | -52.2 | -49.9 | 0 | 0 | 0 | 113.9 | L269 P284 H289 L290 G291 | N267-L269 PolarHBondContact O-N 2.88Å; N267-P284 HydrophobicContact CB-CG 4.21Å; N267-H289 PolarHBondContact ND2-ND1 3.31Å; N267-L290 WeakPolarHBondContact OD1-CA 3.08Å; N267-L290 WeakPolarHBondContact OD1-CB 3.34Å; N267-L290 PolarHBondContact OD1-N 3.4Å; N267-G291 PolarHBondContact N-O 2.69Å; N267-G291 PolarHBondContact OD1-N 3.29Å |
| 268 | A | 97.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | trans | -81 | 65.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L242 L261 S262 K265 E266 | L242-A268 HydrophobicContact CD2-CB 4.26Å; L261-A268 CarbonylContact C-O 3.56Å; L261-A268 VanDerWaalsContact CA-O 3.25Å; L261-A268 WeakPolarHBondContact CA-O 3.3Å; S262-A268 PolarHBondContact N-O 3.19Å; K265-A268 HydrophobicContact CB-CB 3.99Å; K265-A268 HydrophobicContact CG-CB 4.48Å; K265-A268 VanDerWaalsContact O-CB 3.29Å; K265-A268 WeakPolarHBondContact O-CB 3.41Å; K265-A268 PolarHBondContact O-N 3.48Å; E266-A268 PolarHBondContact O-N 3.35Å | ||
| 269 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.9 | 171.7 | 169.3 | 61.1 | 0 | 0 | 0 | 108 | A259 M260 L261 N267 L271 F283 P284 L290 V293 I296 V307 | A259-L269 HydrophobicContact CB-CD1 4.22Å; M260-L269 WeakPolarHBondContact O-CA 3.37Å; L261-L269 HydrophobicContact CB-CB 4.39Å; L261-L269 HydrophobicContact CB-CD1 3.88Å; N267-L269 PolarHBondContact O-N 2.88Å; L269-L271 HydrophobicContact CD1-CD2 4.41Å; L269-F283 HydrophobicContact CD2-CE1 3.59Å; L269-F283 HydrophobicContact CD2-CZ 4.17Å; L269-F283 HydrophobicContact CG-CE1 3.88Å; L269-P284 WeakPolarHBondContact O-CD 3.24Å; L269-L290 HydrophobicContact CB-CD1 4.04Å; L269-L290 HydrophobicContact CD2-CD1 3.85Å; L269-L290 HydrophobicContact CG-CD1 4.48Å; L269-V293 HydrophobicContact CB-CG2 4.22Å; L269-I296 HydrophobicContact CD1-CD1 3.74Å; L269-I296 HydrophobicContact CD2-CD1 3.69Å; L269-I296 HydrophobicContact CG-CD1 4.34Å; L269-V307 HydrophobicContact CD2-CG1 3.98Å; L269-V307 HydrophobicContact CD2-CG2 3.65Å |
| 270 | K | 97.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.5 | 178.1 | -67.5 | -64.6 | 175.6 | -171.9 | 0 | 110 | N241 L242 M260 V279 | N241-K270 HydrophobicContact CB-CG 4.09Å; L242-K270 HydrophobicContact CD2-CG 4.04Å; M260-K270 HydrophobicContact CE-CB 3.9Å; M260-K270 PolarHBondContact N-O 3.42Å; M260-K270 PolarHBondContact O-N 2.74Å; K270-V279 HydrophobicContact CB-CG1 4.01Å; K270-V279 HydrophobicContact CD-CG1 4.01Å; K270-V279 HydrophobicContact CG-CG1 4.38Å |
| 271 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.3 | 178.4 | -59.6 | -178.2 | 0 | 0 | 0 | 108.6 | L6 I257 L258 A259 L269 V279 F280 F283 I296 F298 M305 | L6-L271 HydrophobicContact CD2-CD1 3.51Å; I257-L271 HydrophobicContact CG2-CB 4.11Å; I257-L271 HydrophobicContact CG2-CD2 4.19Å; L258-L271 WeakPolarHBondContact O-CA 3.18Å; A259-L271 HydrophobicContact CB-CD2 3.53Å; L269-L271 HydrophobicContact CD1-CD2 4.41Å; L271-V279 WeakPolarHBondContact O-CA 2.99Å; L271-V279 WeakPolarHBondContact O-CG1 3.47Å; L271-F280 HydrophobicContact CB-CD2 3.7Å; L271-F280 HydrophobicContact CB-CE2 4.38Å; L271-F280 VanDerWaalsContact O-CD2 3.3Å; L271-F280 WeakPolarHBondContact O-CD2 3.45Å; L271-F280 PolarHBondContact O-N 2.8Å; L271-F283 HydrophobicContact CD1-CB 4.32Å; L271-F283 HydrophobicContact CD1-CD1 3.61Å; L271-F283 HydrophobicContact CD1-CD2 4.38Å; L271-F283 HydrophobicContact CD1-CE1 3.99Å; L271-F283 HydrophobicContact CD1-CG 3.84Å; L271-F283 HydrophobicContact CG-CD1 3.72Å; L271-F283 HydrophobicContact CG-CE1 4.15Å; L271-F283 HydrophobicContact CG-CG 4.34Å; L271-I296 HydrophobicContact CD2-CD1 4.35Å; L271-F298 HydrophobicContact CD2-CZ 4.26Å; L271-M305 HydrophobicContact CD1-CE 4.26Å; L271-M305 HydrophobicContact CD1-SD 3.95Å; L271-M305 HydrophobicContact CD2-SD 4.17Å |
| 272 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.8 | 179.1 | 176 | 73.6 | 0 | 0 | 0 | 109.3 | L220 V239 I257 L258 M260 L274 V279 | L220-L272 HydrophobicContact CD2-CD2 4.35Å; V239-L272 HydrophobicContact CG2-CD1 4.01Å; V239-L272 HydrophobicContact CG2-CD2 4.07Å; I257-L272 WeakPolarHBondContact CA-O 3.48Å; L258-L272 HydrophobicContact CB-CB 4.23Å; L258-L272 HydrophobicContact CB-CD2 4.44Å; L258-L272 HydrophobicContact CD2-CD2 4.09Å; L258-L272 PolarHBondContact N-O 3.16Å; L258-L272 PolarHBondContact O-N 3.07Å; M260-L272 HydrophobicContact CE-CB 3.95Å; M260-L272 HydrophobicContact SD-CB 4.49Å; L272-L274 HydrophobicContact CD2-CD2 4.12Å; L272-L274 PolarHBondContact O-N 2.86Å; L272-V279 HydrophobicContact CD1-CG2 3.86Å |
| 273 | H | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 113 | 169 | -177.7 | -115.7 | 0 | 0 | 0 | 109.7 | R275 S276 R277 N278 F280 | H273-R275 PolarHBondContact O-N 3.36Å; H273-S276 WeakPolarHBondContact ND1-CB 3.33Å; H273-S276 PolarHBondContact ND1-N 3.04Å; H273-S276 PolarHBondContact ND1-OG 3.4Å; H273-S276 PolarHBondContact O-N 2.82Å; H273-R277 VanDerWaalsContact O-CA 3.23Å; H273-R277 WeakPolarHBondContact O-CA 3.42Å; H273-R277 PolarHBondContact O-N 2.85Å; H273-N278 PolarHBondContact N-O 2.61Å; H273-N278 PolarHBondContact O-N 2.92Å; H273-F280 HydrophobicContact CB-CE1 4.12Å; H273-F280 HydrophobicContact CB-CE2 3.8Å; H273-F280 HydrophobicContact CB-CZ 3.51Å; H273-F280 AromaticContact CD2-CZ 3.95Å; H273-F280 AromaticContact CG-CZ 3.99Å |
| 274 | L | 96.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -37.8 | -167.5 | -70.8 | 165.1 | 0 | 0 | 0 | 113.3 | L220 F251 S255 D256 L258 L272 R277 | L220-L274 HydrophobicContact CD1-CD2 3.94Å; L220-L274 HydrophobicContact CD2-CD2 3.78Å; F251-L274 HydrophobicContact CD1-CD1 3.49Å; F251-L274 VanDerWaalsContact CD1-CD1 3.49Å; F251-L274 HydrophobicContact CE1-CD1 3.48Å; F251-L274 VanDerWaalsContact CE1-CD1 3.48Å; F251-L274 HydrophobicContact CE1-CD2 3.79Å; F251-L274 HydrophobicContact CE1-CG 4.29Å; S255-L274 WeakPolarHBondContact O-CD1 3.25Å; D256-L274 PolarHBondContact O-N 3.23Å; L258-L274 HydrophobicContact CB-CD2 4.01Å; L258-L274 HydrophobicContact CB-CG 4.4Å; L272-L274 HydrophobicContact CD2-CD2 4.12Å; L272-L274 PolarHBondContact O-N 2.86Å; L274-R277 VanDerWaalsContact O-CG 3.31Å; L274-R277 WeakPolarHBondContact O-CG 3.46Å; L274-R277 PolarHBondContact O-N 2.89Å |
| 275 | R | 95 | Very high | 95.8 | Very high | 195 Ų | 195 | 46.1 Ų | 46.1 | 74% | 0.736 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -43.6 | 179.9 | -174.6 | -177.4 | -62.7 | -107.3 | -2.3 | 112.7 | H273 | H273-R275 PolarHBondContact O-N 3.36Š|
| 276 | S | 95.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.6 | 177.3 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | P3 H273 N278 | P3-S276 VanDerWaalsContact CB-OG 3.26Å; P3-S276 WeakPolarHBondContact CB-OG 3.42Å; H273-S276 WeakPolarHBondContact ND1-CB 3.33Å; H273-S276 PolarHBondContact ND1-N 3.04Å; H273-S276 PolarHBondContact ND1-OG 3.4Å; H273-S276 PolarHBondContact O-N 2.82Å; S276-N278 PolarHBondContact O-N 3.47Å; S276-N278 PolarHBondContact OG-N 2.87Å |
| 277 | R | 96.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 28.3 | -173.2 | -56.3 | 158.4 | -75.5 | -179.4 | -4.8 | 112.8 | K237 H273 L274 | K237-R277 HydrophobicContact CB-CB 4.32Å; K237-R277 HydrophobicContact CB-CG 4.48Å; K237-R277 HydrophobicContact CD-CB 4.39Å; K237-R277 HydrophobicContact CG-CB 4.12Å; H273-R277 VanDerWaalsContact O-CA 3.23Å; H273-R277 WeakPolarHBondContact O-CA 3.42Å; H273-R277 PolarHBondContact O-N 2.85Å; L274-R277 VanDerWaalsContact O-CG 3.31Å; L274-R277 WeakPolarHBondContact O-CG 3.46Å; L274-R277 PolarHBondContact O-N 2.89Å |
| 278 | N | 96.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.4 | 176.4 | -67.4 | -26.8 | 0 | 0 | 0 | 110.3 | H273 S276 | H273-N278 PolarHBondContact N-O 2.61Å; H273-N278 PolarHBondContact O-N 2.92Å; S276-N278 PolarHBondContact O-N 3.47Å; S276-N278 PolarHBondContact OG-N 2.87Å |
| 279 | V | 97.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.1 | 171.7 | 178 | 0 | 0 | 0 | 0 | 108.6 | V239 N241 M260 K270 L271 L272 A281 | V239-V279 HydrophobicContact CG1-CG2 3.62Å; N241-V279 HydrophobicContact CB-CG2 4.35Å; M260-V279 HydrophobicContact CE-CG2 4.28Å; K270-V279 HydrophobicContact CB-CG1 4.01Å; K270-V279 HydrophobicContact CD-CG1 4.01Å; K270-V279 HydrophobicContact CG-CG1 4.38Å; L271-V279 WeakPolarHBondContact O-CA 2.99Å; L271-V279 WeakPolarHBondContact O-CG1 3.47Å; L272-V279 HydrophobicContact CD1-CG2 3.86Å; V279-A281 PolarHBondContact O-N 2.92Å |
| 280 | F | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | trans | -61.1 | 130.5 | 176.1 | -67.6 | -74.2 | 0 | 0 | 0 | 110.2 | M1 P2 L6 I257 L271 H273 N282 | M1-F280 HydrophobicContact CG-CE1 4.42Å; M1-F280 HydrophobicContact CG-CZ 4.19Å; M1-F280 HydrophobicContact SD-CE1 4.2Å; M1-F280 HydrophobicContact SD-CE2 4.29Å; M1-F280 HydrophobicContact SD-CZ 3.45Å; M1-F280 WeakPolarHBondContact SD-CZ 3.28Å; P2-F280 WeakPolarHBondContact O-CE1 3.49Å; L6-F280 HydrophobicContact CB-CB 4.38Å; L6-F280 HydrophobicContact CB-CD1 3.82Å; L6-F280 HydrophobicContact CB-CD2 4.39Å; L6-F280 HydrophobicContact CB-CE1 4.14Å; L6-F280 HydrophobicContact CB-CG 3.95Å; L6-F280 HydrophobicContact CD1-CE1 4.38Å; L6-F280 HydrophobicContact CD1-CE2 4.31Å; L6-F280 HydrophobicContact CD1-CZ 4.13Å; I257-F280 HydrophobicContact CD1-CE2 4.3Å; I257-F280 HydrophobicContact CG1-CE2 4.19Å; L271-F280 HydrophobicContact CB-CD2 3.7Å; L271-F280 HydrophobicContact CB-CE2 4.38Å; L271-F280 VanDerWaalsContact O-CD2 3.3Å; L271-F280 WeakPolarHBondContact O-CD2 3.45Å; L271-F280 PolarHBondContact O-N 2.8Å; H273-F280 HydrophobicContact CB-CE1 4.12Å; H273-F280 HydrophobicContact CB-CE2 3.8Å; H273-F280 HydrophobicContact CB-CZ 3.51Å; H273-F280 AromaticContact CD2-CZ 3.95Å; H273-F280 AromaticContact CG-CZ 3.99Å; F280-N282 VanDerWaalsContact C-N 3.35Å | ||
| 281 | A | 93.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 54.2 Ų | 54.2 | 74% | 0.744 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K4 V279 | K4-A281 PolarHBondContact O-N 3.23Å; K4-A281 VanDerWaalsContact O-N 3.08Å; V279-A281 PolarHBondContact O-N 2.92Å |
| 282 | N | 94.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 21.1 | -171.7 | 72.1 | -35.2 | 0 | 0 | 0 | 114 | E5 L6 F280 L285 | E5-N282 WeakPolarHBondContact CA-OD1 3.1Å; L6-N282 PolarHBondContact N-OD1 3.34Å; L6-N282 PolarHBondContact O-ND2 3.46Å; F280-N282 VanDerWaalsContact C-N 3.35Å; N282-L285 HydrophobicContact CB-CD2 4.37Å; N282-L285 WeakPolarHBondContact O-CG 3.44Å |
| 283 | F | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -138.7 | 135 | 173.6 | -166.4 | -86.8 | 0 | 0 | 0 | 113.2 | F8 L269 L271 L290 M305 Y317 | F8-F283 HydrophobicContact CD1-CD2 4.4Å; F8-F283 HydrophobicContact CE1-CB 4.47Å; F8-F283 AromaticContact CE1-CD2 3.86Å; F8-F283 HydrophobicContact CE1-CD2 3.86Å; F8-F283 HydrophobicContact CE2-CD2 4.03Å; F8-F283 HydrophobicContact CE2-CE2 4.24Å; F8-F283 AromaticContact CZ-CD2 3.65Å; F8-F283 HydrophobicContact CZ-CD2 3.65Å; F8-F283 HydrophobicContact CZ-CE2 4.31Å; L269-F283 HydrophobicContact CD2-CE1 3.59Å; L269-F283 HydrophobicContact CD2-CZ 4.17Å; L269-F283 HydrophobicContact CG-CE1 3.88Å; L271-F283 HydrophobicContact CD1-CB 4.32Å; L271-F283 HydrophobicContact CD1-CD1 3.61Å; L271-F283 HydrophobicContact CD1-CD2 4.38Å; L271-F283 HydrophobicContact CD1-CE1 3.99Å; L271-F283 HydrophobicContact CD1-CG 3.84Å; L271-F283 HydrophobicContact CG-CD1 3.72Å; L271-F283 HydrophobicContact CG-CE1 4.15Å; L271-F283 HydrophobicContact CG-CG 4.34Å; F283-L290 HydrophobicContact CE1-CD1 4.45Å; F283-L290 HydrophobicContact CZ-CD1 4.5Å; F283-M305 HydrophobicContact CE1-CE 4.13Å; F283-M305 HydrophobicContact CE2-CE 3.68Å; F283-M305 HydrophobicContact CZ-CE 3.4Å; F283-M305 VanDerWaalsContact CZ-CE 3.4Å; F283-Y317 HydrophobicContact CE2-CE1 4.43Å |
| 284 | P | 93.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | cis | -65.8 | 153.6 | -14.2 | 29.5 | -36 | 0 | 0 | 0 | 110.9 | N267 L269 L290 | N267-P284 HydrophobicContact CB-CG 4.21Å; L269-P284 WeakPolarHBondContact O-CD 3.24Å; P284-L290 HydrophobicContact CB-CD1 3.77Å; P284-L290 HydrophobicContact CB-CG 4.16Å; P284-L290 HydrophobicContact CG-CD1 4.1Å |
| 285 | L | 87.9 | Confident | 93.2 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | trans | -77.4 | 145.6 | 168.9 | -73.9 | 169.8 | 0 | 0 | 0 | 109.5 | F8 N282 Q287 H288 | F8-L285 HydrophobicContact CE2-CD1 4.06Å; F8-L285 HydrophobicContact CZ-CD1 3.56Å; F8-L285 HydrophobicContact CZ-CG 3.85Å; N282-L285 HydrophobicContact CB-CD2 4.37Å; N282-L285 WeakPolarHBondContact O-CG 3.44Å; L285-Q287 VanDerWaalsContact C-N 3.25Å; L285-Q287 HydrophobicContact CB-CG 4.18Å; L285-Q287 PolarHBondContact O-N 3.17Å; L285-H288 PolarHBondContact O-N 2.9Å | ||
| 286 | E | 81.1 | Confident | 93.3 | Very high | 198 Ų | 198 | 51.3 Ų | 51.3 | 93% | 0.925 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.2 | -176.9 | -171.2 | 173.5 | -175.9 | 0 | 0 | 113.1 | H288 | E286-H288 VanDerWaalsContact C-N 3.27Å; E286-H288 PolarHBondContact O-N 2.9Å |
| 287 | Q | 83.3 | Confident | 93.5 | Very high | 152 Ų | 152 | 50.5 Ų | 50.5 | 71% | 0.71 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.8 | 176.6 | 69.1 | -144 | 25.8 | 0 | 0 | 114.3 | L285 H289 | L285-Q287 VanDerWaalsContact C-N 3.25Å; L285-Q287 HydrophobicContact CB-CG 4.18Å; L285-Q287 PolarHBondContact O-N 3.17Å; Q287-H289 PolarHBondContact O-N 2.85Å |
| 288 | H | 83.7 | Confident | 93.6 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.148 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -101.1 | 73.7 | 179.7 | -66.1 | -84.9 | 0 | 0 | 0 | 109.7 | H10 L285 E286 L290 | H10-H288 WeakPolarHBondContact CB-CE1 3.31Å; H10-H288 AromaticContact CG-CE1 3.62Å; H10-H288 AromaticContact CG-ND1 3.55Å; H10-H288 AromaticContact ND1-CE1 3.33Å; H10-H288 PolarHBondContact ND1-CE1 2.88Å; H10-H288 VanDerWaalsContact ND1-CE1 3.33Å; H10-H288 AromaticContact ND1-ND1 3.16Å; H10-H288 PolarHBondContact ND1-ND1 3.34Å; H10-H288 VanDerWaalsContact ND1-ND1 3.16Å; L285-H288 PolarHBondContact O-N 2.9Å; E286-H288 VanDerWaalsContact C-N 3.27Å; E286-H288 PolarHBondContact O-N 2.9Å; H288-L290 PolarHBondContact O-N 2.99Å; H288-L290 VanDerWaalsContact O-N 3.13Å |
| 289 | H | 90.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 42 Ų | 42 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | trans | -61.9 | 115 | 175.2 | -172.3 | 87.8 | 0 | 0 | 0 | 110.8 | E266 N267 Q287 G291 K315 | E266-H289 IonicContact OE2-CE1 3.08Å; E266-H289 PolarHBondContact OE2-CE1 2.99Å; E266-H289 VanDerWaalsContact OE2-CE1 3.26Å; E266-H289 IonicContact OE2-NE2 2.74Å; N267-H289 PolarHBondContact ND2-ND1 3.31Å; Q287-H289 PolarHBondContact O-N 2.85Å; H289-G291 PolarHBondContact CD2-N 3.3Å; H289-G291 WeakPolarHBondContact NE2-CA 3.41Å; H289-G291 PolarHBondContact NE2-N 3.36Å; H289-K315 WeakPolarHBondContact O-CE 3.38Å | ||
| 290 | L | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -87 | -23.6 | 177.7 | -56.9 | -179.2 | 0 | 0 | 0 | 112.3 | N267 L269 F283 P284 H288 V293 V307 N309 K315 Y317 | N267-L290 WeakPolarHBondContact OD1-CA 3.08Å; N267-L290 WeakPolarHBondContact OD1-CB 3.34Å; N267-L290 PolarHBondContact OD1-N 3.4Å; L269-L290 HydrophobicContact CB-CD1 4.04Å; L269-L290 HydrophobicContact CD2-CD1 3.85Å; L269-L290 HydrophobicContact CG-CD1 4.48Å; F283-L290 HydrophobicContact CE1-CD1 4.45Å; F283-L290 HydrophobicContact CZ-CD1 4.5Å; P284-L290 HydrophobicContact CB-CD1 3.77Å; P284-L290 HydrophobicContact CB-CG 4.16Å; P284-L290 HydrophobicContact CG-CD1 4.1Å; H288-L290 PolarHBondContact O-N 2.99Å; H288-L290 VanDerWaalsContact O-N 3.13Å; L290-V293 HydrophobicContact CB-CG2 3.74Å; L290-V293 HydrophobicContact CD1-CG2 4.04Å; L290-V307 HydrophobicContact CD1-CG1 4.37Å; L290-V307 HydrophobicContact CD2-CG1 4.3Å; L290-N309 WeakPolarHBondContact O-CB 3.44Å; L290-N309 PolarHBondContact O-ND2 3.18Å; L290-K315 HydrophobicContact CD2-CD 3.86Å; L290-Y317 HydrophobicContact CD2-CE2 4.37Å; L290-Y317 WeakPolarHBondContact CD2-OH 3.35Å | ||
| 291 | G | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | 68.3 | -153.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E266 N267 H289 V293 | E266-G291 CarbonylContact C-O 3.57Å; E266-G291 WeakPolarHBondContact CA-O 3.3Å; N267-G291 PolarHBondContact N-O 2.69Å; N267-G291 PolarHBondContact OD1-N 3.29Å; H289-G291 PolarHBondContact CD2-N 3.3Å; H289-G291 WeakPolarHBondContact NE2-CA 3.41Å; H289-G291 PolarHBondContact NE2-N 3.36Å; G291-V293 PolarHBondContact O-N 3.32Å; G291-V293 VanDerWaalsContact O-N 3.12Å | ||
| 292 | Y | 96.5 | Very high | 93.5 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 38% | 0.376 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.3 | 96.6 | 175.7 | -63.2 | -93.5 | 0 | 0 | 0 | 110.2 | S263 E266 Q294 N309 S310 | S263-Y292 WeakPolarHBondContact O-CD1 3.49Å; E266-Y292 HydrophobicContact CG-CD1 4.33Å; E266-Y292 HydrophobicContact CG-CD2 3.71Å; E266-Y292 HydrophobicContact CG-CE1 4.06Å; E266-Y292 HydrophobicContact CG-CE2 3.36Å; E266-Y292 HydrophobicContact CG-CG 4.17Å; E266-Y292 VanDerWaalsContact OE1-CE2 3.27Å; E266-Y292 WeakPolarHBondContact OE1-CE2 3.39Å; Y292-Q294 PolarHBondContact O-N 3.47Å; Y292-Q294 PolarHBondContact O-NE2 2.59Å; Y292-N309 CarbonylContact O-C 3.56Å; Y292-N309 VanDerWaalsContact O-CA 3.3Å; Y292-N309 WeakPolarHBondContact O-CA 3.39Å; Y292-N309 WeakPolarHBondContact O-CB 3.44Å; Y292-S310 PolarHBondContact O-N 3.14Å |
| 293 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 128.9 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | L261 S263 L269 L290 G291 V307 | L261-V293 HydrophobicContact CB-CG1 4.26Å; L261-V293 HydrophobicContact CD1-CG1 4.34Å; L261-V293 HydrophobicContact CD2-CG1 3.94Å; L261-V293 HydrophobicContact CG-CG1 4.41Å; S263-V293 WeakPolarHBondContact CA-O 3.25Å; S263-V293 VanDerWaalsContact CB-O 3.26Å; S263-V293 WeakPolarHBondContact CB-O 3.47Å; S263-V293 PolarHBondContact OG-O 2.81Å; L269-V293 HydrophobicContact CB-CG2 4.22Å; L290-V293 HydrophobicContact CB-CG2 3.74Å; L290-V293 HydrophobicContact CD1-CG2 4.04Å; G291-V293 PolarHBondContact O-N 3.32Å; G291-V293 VanDerWaalsContact O-N 3.12Å; V293-V307 HydrophobicContact CB-CG1 4.35Å; V293-V307 HydrophobicContact CG1-CG1 3.59Å; V293-V307 HydrophobicContact CG2-CG1 3.87Å |
| 294 | Q | 96.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -36.8 | 179.3 | -61.2 | -62.8 | -62.5 | 0 | 0 | 110.8 | A24 Y292 G308 | A24-Q294 VanDerWaalsContact O-CB 3.24Å; A24-Q294 WeakPolarHBondContact O-CB 2.86Å; Y292-Q294 PolarHBondContact O-N 3.47Å; Y292-Q294 PolarHBondContact O-NE2 2.59Å; Q294-G308 PolarHBondContact N-O 2.86Å |
| 295 | D | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.1 | -178.5 | -159.1 | 8 | 0 | 0 | 0 | 113 | N26 I27 R248 G308 | N26-D295 WeakPolarHBondContact CA-OD2 3.04Å; N26-D295 PolarHBondContact ND2-OD2 3.38Å; I27-D295 HydrophobicContact CD1-CB 4.37Å; I27-D295 HydrophobicContact CG1-CB 3.91Å; I27-D295 PolarHBondContact N-OD2 3.33Å; R248-D295 WeakPolarHBondContact CD-OD1 3.47Å; R248-D295 IonicContact CZ-OD1 2.68Å; R248-D295 IonicContact CZ-OD2 3.62Å; R248-D295 IonicContact NE-OD1 2.76Å; R248-D295 PolarHBondContact NE-OD1 2.83Å; R248-D295 IonicContact NH1-OD1 3.05Å; R248-D295 PolarHBondContact NH1-OD1 2.66Å; R248-D295 IonicContact NH1-OD2 3.75Å; R248-D295 PolarHBondContact NH1-OD2 3.37Å; R248-D295 IonicContact NH2-OD1 3.65Å; R248-D295 PolarHBondContact NH2-OD1 2.83Å; R248-D295 VanDerWaalsContact NH2-OD1 3.13Å; R248-D295 IonicContact NH2-OD2 3.8Å; R248-D295 PolarHBondContact NH2-OD2 3.11Å; D295-G308 PolarHBondContact N-O 3.28Å; D295-G308 PolarHBondContact O-N 3.29Å |
| 296 | I | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.2 | 173.7 | -163.5 | 174.6 | 0 | 0 | 0 | 109.7 | V250 A259 L261 L269 L271 F298 M305 C306 V307 | V250-I296 HydrophobicContact CB-CG2 4.18Å; V250-I296 HydrophobicContact CG2-CG2 3.98Å; A259-I296 HydrophobicContact CB-CD1 3.64Å; A259-I296 HydrophobicContact CB-CG2 3.82Å; L261-I296 HydrophobicContact CD2-CB 4.01Å; L261-I296 HydrophobicContact CD2-CG2 3.62Å; L269-I296 HydrophobicContact CD1-CD1 3.74Å; L269-I296 HydrophobicContact CD2-CD1 3.69Å; L269-I296 HydrophobicContact CG-CD1 4.34Å; L271-I296 HydrophobicContact CD2-CD1 4.35Å; I296-F298 HydrophobicContact CD1-CZ 4.45Å; I296-M305 HydrophobicContact CD1-CG 3.82Å; I296-M305 HydrophobicContact CD1-SD 3.61Å; I296-M305 HydrophobicContact CG1-CG 3.95Å; I296-M305 HydrophobicContact CG1-SD 4.4Å; I296-C306 VanDerWaalsContact CA-O 3.32Å; I296-C306 WeakPolarHBondContact CA-O 3.33Å; I296-C306 VanDerWaalsContact CG1-O 3.29Å; I296-C306 WeakPolarHBondContact CG1-O 3.44Å; I296-V307 HydrophobicContact CD1-CG2 4.14Å; I296-V307 HydrophobicContact CG1-CG2 4.12Å |
| 297 | D | 98.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.5 | 166.5 | -166.6 | 28.3 | 0 | 0 | 0 | 111.2 | I27 E28 F29 M305 C306 | I27-D297 HydrophobicContact CG1-CB 4.2Å; E28-D297 VanDerWaalsContact CA-OD2 3.31Å; E28-D297 WeakPolarHBondContact CA-OD2 3.49Å; F29-D297 HydrophobicContact CD2-CB 4.01Å; F29-D297 HydrophobicContact CE2-CB 4.46Å; F29-D297 WeakPolarHBondContact CE2-O 3.47Å; F29-D297 PolarHBondContact N-OD2 3.49Å; D297-M305 WeakPolarHBondContact O-CA 3.11Å; D297-C306 PolarHBondContact N-O 3.49Å; D297-C306 VanDerWaalsContact N-O 3.14Å; D297-C306 PolarHBondContact O-N 3.43Å |
| 298 | F | 98.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.022 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.6 | 174.9 | -63.2 | -86.5 | 0 | 0 | 0 | 110.3 | V250 N252 I257 A259 L271 I296 Y304 M305 L319 | V250-F298 HydrophobicContact CG1-CD2 4.14Å; N252-F298 HydrophobicContact CB-CB 4.07Å; N252-F298 HydrophobicContact CB-CD1 3.88Å; N252-F298 HydrophobicContact CB-CD2 3.78Å; N252-F298 HydrophobicContact CB-CE1 4.24Å; N252-F298 HydrophobicContact CB-CE2 4.14Å; N252-F298 HydrophobicContact CB-CG 3.64Å; N252-F298 HydrophobicContact CB-CZ 4.36Å; I257-F298 HydrophobicContact CG2-CZ 4.11Å; A259-F298 HydrophobicContact CB-CE2 3.81Å; A259-F298 HydrophobicContact CB-CZ 3.97Å; L271-F298 HydrophobicContact CD2-CZ 4.26Å; I296-F298 HydrophobicContact CD1-CZ 4.45Å; F298-Y304 CarbonylContact C-O 3.5Å; F298-Y304 WeakPolarHBondContact CA-O 3.44Å; F298-M305 HydrophobicContact CD1-CB 3.73Å; F298-M305 HydrophobicContact CD1-CG 3.87Å; F298-M305 HydrophobicContact CD1-SD 4.4Å; F298-M305 HydrophobicContact CE1-CB 3.78Å; F298-M305 HydrophobicContact CE1-CG 3.55Å; F298-M305 HydrophobicContact CE1-SD 3.5Å; F298-M305 VanDerWaalsContact CE1-SD 3.5Å; F298-M305 HydrophobicContact CZ-CG 4.11Å; F298-M305 HydrophobicContact CZ-SD 3.83Å; F298-L319 HydrophobicContact CD1-CD1 4.03Å; F298-L319 HydrophobicContact CE1-CD1 3.87Å |
| 299 | S | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -64.7 | 158.2 | 170.5 | 77.2 | 0 | 0 | 0 | 0 | 110.7 | N301 S302 G303 Y304 Y325 | S299-N301 VanDerWaalsContact C-N 3.32Å; S299-N301 PolarHBondContact O-N 2.84Å; S299-S302 WeakPolarHBondContact O-CA 3.38Å; S299-S302 PolarHBondContact O-N 2.81Å; S299-G303 PolarHBondContact OG-N 2.86Å; S299-Y304 PolarHBondContact N-O 2.82Å; S299-Y304 PolarHBondContact OG-N 2.98Å; S299-Y325 WeakPolarHBondContact CB-OXT 3.25Å; S299-Y325 PolarHBondContact OG-OXT 3.29Å | ||
| 300 | P | 94.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 18.9 Ų | 18.9 | 23% | 0.227 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -42.8 | -174.1 | -30.2 | 38.2 | 0 | 0 | 0 | 114.9 | K31 S302 Y325 | K31-P300 HydrophobicContact CD-CG 4.25Å; P300-S302 VanDerWaalsContact C-N 3.26Å; P300-S302 PolarHBondContact O-N 2.83Å; P300-Y325 WeakPolarHBondContact CD-OXT 3.44Å; P300-Y325 HydrophobicContact CG-CD1 4.18Å; P300-Y325 HydrophobicContact CG-CE1 3.7Å |
| 301 | N | 95.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 22.7 Ų | 22.7 | 58% | 0.583 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 15 | 177.3 | -66 | -46.2 | 0 | 0 | 0 | 113.1 | S299 G303 Y325 | S299-N301 VanDerWaalsContact C-N 3.32Å; S299-N301 PolarHBondContact O-N 2.84Å; N301-G303 PolarHBondContact O-N 2.95Å; N301-G303 VanDerWaalsContact O-N 3.09Å; N301-Y325 WeakPolarHBondContact CB-O 3.41Å; N301-Y325 PolarHBondContact N-OXT 3.07Å; N301-Y325 PolarHBondContact ND2-O 2.79Å |
| 302 | S | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 61.8 | 11.2 | -179.7 | -53 | 0 | 0 | 0 | 0 | 115.2 | N252 G253 S254 S299 P300 Y304 Y322 | N252-S302 VanDerWaalsContact ND2-CB 3.25Å; N252-S302 WeakPolarHBondContact ND2-CB 3.46Å; N252-S302 PolarHBondContact ND2-OG 3.45Å; G253-S302 PolarHBondContact N-OG 3.43Å; S254-S302 PolarHBondContact N-OG 3.13Å; S299-S302 WeakPolarHBondContact O-CA 3.38Å; S299-S302 PolarHBondContact O-N 2.81Å; P300-S302 VanDerWaalsContact C-N 3.26Å; P300-S302 PolarHBondContact O-N 2.83Å; S302-Y304 VanDerWaalsContact C-N 3.31Å; S302-Y304 PolarHBondContact O-N 2.76Å; S302-Y322 WeakPolarHBondContact O-CD2 3.4Å |
| 303 | G | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -68.2 | -29.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S299 N301 R318 L319 G323 G324 | S299-G303 PolarHBondContact OG-N 2.86Å; N301-G303 PolarHBondContact O-N 2.95Å; N301-G303 VanDerWaalsContact O-N 3.09Å; G303-R318 WeakPolarHBondContact O-CD 3.45Å; G303-R318 PolarHBondContact O-NH1 2.8Å; G303-L319 PolarHBondContact O-N 3.14Å; G303-G323 WeakPolarHBondContact CA-O 3.39Å; G303-G324 WeakPolarHBondContact CA-O 3.43Å | ||
| 304 | Y | 97.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 21.3 Ų | 21.3 | 13% | 0.125 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.2 | 177.8 | -58.6 | -88.8 | 0 | 0 | 0 | 111.3 | L11 V50 F298 S299 S302 L316 Y317 Y325 | L11-Y304 HydrophobicContact CD1-CD1 3.89Å; L11-Y304 HydrophobicContact CD1-CE1 3.55Å; V50-Y304 HydrophobicContact CG1-CD2 4.4Å; V50-Y304 HydrophobicContact CG1-CG 4.4Å; F298-Y304 CarbonylContact C-O 3.5Å; F298-Y304 WeakPolarHBondContact CA-O 3.44Å; S299-Y304 PolarHBondContact N-O 2.82Å; S299-Y304 PolarHBondContact OG-N 2.98Å; S302-Y304 VanDerWaalsContact C-N 3.31Å; S302-Y304 PolarHBondContact O-N 2.76Å; Y304-L316 HydrophobicContact CD1-CD1 4.12Å; Y304-L316 HydrophobicContact CD1-CD2 4.33Å; Y304-L316 HydrophobicContact CD1-CG 4.33Å; Y304-L316 HydrophobicContact CG-CD1 4.42Å; Y304-Y317 VanDerWaalsContact CA-O 3.29Å; Y304-Y317 WeakPolarHBondContact CA-O 3.46Å; Y304-Y325 HydrophobicContact CD2-CD2 4.2Å; Y304-Y325 HydrophobicContact CE2-CD2 4.45Å |
| 305 | M | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.7 | 172 | 178.5 | -175.5 | 71.2 | 0 | 0 | 107.7 | L271 F283 I296 D297 F298 V307 Y317 L319 | L271-M305 HydrophobicContact CD1-CE 4.26Å; L271-M305 HydrophobicContact CD1-SD 3.95Å; L271-M305 HydrophobicContact CD2-SD 4.17Å; F283-M305 HydrophobicContact CE1-CE 4.13Å; F283-M305 HydrophobicContact CE2-CE 3.68Å; F283-M305 HydrophobicContact CZ-CE 3.4Å; F283-M305 VanDerWaalsContact CZ-CE 3.4Å; I296-M305 HydrophobicContact CD1-CG 3.82Å; I296-M305 HydrophobicContact CD1-SD 3.61Å; I296-M305 HydrophobicContact CG1-CG 3.95Å; I296-M305 HydrophobicContact CG1-SD 4.4Å; D297-M305 WeakPolarHBondContact O-CA 3.11Å; F298-M305 HydrophobicContact CD1-CB 3.73Å; F298-M305 HydrophobicContact CD1-CG 3.87Å; F298-M305 HydrophobicContact CD1-SD 4.4Å; F298-M305 HydrophobicContact CE1-CB 3.78Å; F298-M305 HydrophobicContact CE1-CG 3.55Å; F298-M305 HydrophobicContact CE1-SD 3.5Å; F298-M305 VanDerWaalsContact CE1-SD 3.5Å; F298-M305 HydrophobicContact CZ-CG 4.11Å; F298-M305 HydrophobicContact CZ-SD 3.83Å; M305-V307 HydrophobicContact CE-CG2 4.38Å; M305-Y317 HydrophobicContact CE-CD2 3.8Å; M305-Y317 HydrophobicContact CE-CG 4.06Å; M305-Y317 PolarHBondContact N-O 3.18Å; M305-Y317 PolarHBondContact O-N 3.09Å; M305-L319 HydrophobicContact CB-CD1 4.43Å; M305-L319 HydrophobicContact CB-CG 4.47Å |
| 306 | C | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | F14 I27 F29 F36 I296 D297 K315 L316 | F14-C306 HydrophobicContact CE2-CB 4.34Å; I27-C306 HydrophobicContact CD1-CB 4.08Å; I27-C306 VanDerWaalsContact CD1-O 3.29Å; I27-C306 WeakPolarHBondContact CD1-O 3.37Å; F29-C306 HydrophobicContact CE2-CB 3.73Å; F29-C306 HydrophobicContact CZ-CB 3.69Å; F36-C306 HydrophobicContact CE2-CB 3.71Å; F36-C306 HydrophobicContact CZ-CB 3.73Å; F36-C306 WeakPolarHBondContact CZ-SG 3.46Å; I296-C306 VanDerWaalsContact CA-O 3.32Å; I296-C306 WeakPolarHBondContact CA-O 3.33Å; I296-C306 VanDerWaalsContact CG1-O 3.29Å; I296-C306 WeakPolarHBondContact CG1-O 3.44Å; D297-C306 PolarHBondContact N-O 3.49Å; D297-C306 VanDerWaalsContact N-O 3.14Å; D297-C306 PolarHBondContact O-N 3.43Å; C306-K315 CarbonylContact C-O 3.56Å; C306-K315 VanDerWaalsContact CA-O 3.28Å; C306-K315 WeakPolarHBondContact CA-O 3.43Å; C306-L316 HydrophobicContact CB-CD1 4.35Å |
| 307 | V | 97.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.1 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 109 | L269 L290 V293 I296 M305 K315 Y317 | L269-V307 HydrophobicContact CD2-CG1 3.98Å; L269-V307 HydrophobicContact CD2-CG2 3.65Å; L290-V307 HydrophobicContact CD1-CG1 4.37Å; L290-V307 HydrophobicContact CD2-CG1 4.3Å; V293-V307 HydrophobicContact CB-CG1 4.35Å; V293-V307 HydrophobicContact CG1-CG1 3.59Å; V293-V307 HydrophobicContact CG2-CG1 3.87Å; I296-V307 HydrophobicContact CD1-CG2 4.14Å; I296-V307 HydrophobicContact CG1-CG2 4.12Å; M305-V307 HydrophobicContact CE-CG2 4.38Å; V307-K315 PolarHBondContact N-O 2.87Å; V307-K315 PolarHBondContact O-N 2.91Å; V307-Y317 HydrophobicContact CG2-CD2 4.39Å; V307-Y317 HydrophobicContact CG2-CE2 4.14Å |
| 308 | G | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q294 D295 N313 | Q294-G308 PolarHBondContact N-O 2.86Å; D295-G308 PolarHBondContact N-O 3.28Å; D295-G308 PolarHBondContact O-N 3.29Å; G308-N313 WeakPolarHBondContact CA-O 3.47Å |
| 309 | N | 94.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 173.2 | 179.4 | 79.1 | 9.8 | 0 | 0 | 0 | 114 | A24 L290 Y292 S311 G312 N313 | A24-N309 PolarHBondContact N-O 3.21Å; A24-N309 VanDerWaalsContact N-O 3.15Å; L290-N309 WeakPolarHBondContact O-CB 3.44Å; L290-N309 PolarHBondContact O-ND2 3.18Å; Y292-N309 CarbonylContact O-C 3.56Å; Y292-N309 VanDerWaalsContact O-CA 3.3Å; Y292-N309 WeakPolarHBondContact O-CA 3.39Å; Y292-N309 WeakPolarHBondContact O-CB 3.44Å; N309-S311 PolarHBondContact O-N 3.31Å; N309-S311 WeakPolarHBondContact OD1-CA 3.44Å; N309-S311 WeakPolarHBondContact OD1-CB 3.45Å; N309-S311 PolarHBondContact OD1-N 2.96Å; N309-G312 PolarHBondContact O-N 3.25Å; N309-G312 PolarHBondContact OD1-N 3.41Å; N309-N313 PolarHBondContact N-O 2.79Å; N309-N313 VanDerWaalsContact N-O 3.08Å; N309-N313 PolarHBondContact ND2-OD1 3.36Å; N309-N313 VanDerWaalsContact ND2-OD1 3.09Å; N309-N313 PolarHBondContact OD1-N 3.35Å |
| 310 | S | 93.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.5 | -178.5 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | C23 Y292 G312 | C23-S310 WeakPolarHBondContact CA-O 3.24Å; Y292-S310 PolarHBondContact O-N 3.14Å; S310-G312 PolarHBondContact O-N 2.86Å |
| 311 | S | 91.6 | Very high | 95.3 | Very high | 81 Ų | 81 | 26.7 Ų | 26.7 | 57% | 0.566 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.8 | 174.4 | -53 | 0 | 0 | 0 | 0 | 113.1 | G22 N309 | G22-S311 CarbonylContact O-C 3.53Å; N309-S311 PolarHBondContact O-N 3.31Å; N309-S311 WeakPolarHBondContact OD1-CA 3.44Å; N309-S311 WeakPolarHBondContact OD1-CB 3.45Å; N309-S311 PolarHBondContact OD1-N 2.96Å |
| 312 | G | 90.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | 80.5 | 16.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T16 G22 N309 S310 | T16-G312 WeakPolarHBondContact CB-O 3.26Å; T16-G312 WeakPolarHBondContact CG2-O 3.08Å; T16-G312 PolarHBondContact OG1-O 3.08Å; G22-G312 WeakPolarHBondContact O-CA 3.49Å; G22-G312 PolarHBondContact O-N 3.19Å; G22-G312 VanDerWaalsContact O-N 3.09Å; N309-G312 PolarHBondContact O-N 3.25Å; N309-G312 PolarHBondContact OD1-N 3.41Å; S310-G312 PolarHBondContact O-N 2.86Å | ||
| 313 | N | 92.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 25.3 Ų | 25.3 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | trans | -77.5 | 141.1 | 169.6 | -50.2 | 123.7 | 0 | 0 | 0 | 109.8 | G308 N309 | G308-N313 WeakPolarHBondContact CA-O 3.47Å; N309-N313 PolarHBondContact N-O 2.79Å; N309-N313 VanDerWaalsContact N-O 3.08Å; N309-N313 PolarHBondContact ND2-OD1 3.36Å; N309-N313 VanDerWaalsContact ND2-OD1 3.09Å; N309-N313 PolarHBondContact OD1-N 3.35Å | ||
| 314 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 91.2 | -178.4 | -67.5 | 173.8 | 0 | 0 | 0 | 108.3 | D13 F14 T16 A24 I27 F36 A38 F41 Y48 | D13-L314 WeakPolarHBondContact CA-O 3.37Å; D13-L314 WeakPolarHBondContact CB-O 3.03Å; F14-L314 HydrophobicContact CB-CB 3.79Å; F14-L314 HydrophobicContact CB-CD1 3.86Å; F14-L314 HydrophobicContact CD2-CB 3.99Å; F14-L314 HydrophobicContact CG-CB 4.38Å; F14-L314 PolarHBondContact N-O 2.85Å; T16-L314 HydrophobicContact CG2-CD1 3.69Å; T16-L314 HydrophobicContact CG2-CG 4.1Å; A24-L314 HydrophobicContact CB-CD2 3.64Å; I27-L314 HydrophobicContact CG2-CD2 3.81Å; F36-L314 HydrophobicContact CE1-CD1 4.2Å; F36-L314 HydrophobicContact CE1-CD2 4.32Å; F36-L314 HydrophobicContact CZ-CD2 4.5Å; A38-L314 HydrophobicContact CB-CD1 3.66Å; A38-L314 HydrophobicContact CB-CD2 3.97Å; A38-L314 HydrophobicContact CB-CG 4.47Å; F41-L314 HydrophobicContact CZ-CD1 3.97Å; F41-L314 HydrophobicContact CZ-CD2 4.48Å; F41-L314 HydrophobicContact CZ-CG 4.31Å; Y48-L314 HydrophobicContact CE2-CD1 3.95Å |
| 315 | K | 95.7 | Very high | 93.5 | Very high | 31 Ų | 31 | 27 Ų | 27 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.3 | -173.6 | -69.1 | -170.6 | 166.9 | -62.1 | 0 | 111.4 | D13 H289 L290 C306 V307 Y317 | D13-K315 VanDerWaalsContact OD1-CA 3.3Å; D13-K315 WeakPolarHBondContact OD1-CA 3.41Å; D13-K315 IonicContact OD2-NZ 3.62Å; D13-K315 PolarHBondContact OD2-NZ 3.27Å; H289-K315 WeakPolarHBondContact O-CE 3.38Å; L290-K315 HydrophobicContact CD2-CD 3.86Å; C306-K315 CarbonylContact C-O 3.56Å; C306-K315 VanDerWaalsContact CA-O 3.28Å; C306-K315 WeakPolarHBondContact CA-O 3.43Å; V307-K315 PolarHBondContact N-O 2.87Å; V307-K315 PolarHBondContact O-N 2.91Å; K315-Y317 HydrophobicContact CB-CE2 3.67Å |
| 316 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.1 | -178.8 | -176.9 | 66.7 | 0 | 0 | 0 | 111 | H10 L11 F14 F29 V50 N55 Y304 C306 | H10-L316 PolarHBondContact CD2-O 3.47Å; L11-L316 HydrophobicContact CB-CD2 4.31Å; L11-L316 HydrophobicContact CB-CG 4.36Å; L11-L316 HydrophobicContact CD1-CD2 4.09Å; L11-L316 HydrophobicContact CD1-CG 4.3Å; L11-L316 PolarHBondContact N-O 3.18Å; F14-L316 HydrophobicContact CD2-CB 4.4Å; F14-L316 HydrophobicContact CE2-CB 3.99Å; F14-L316 HydrophobicContact CE2-CD1 3.89Å; F14-L316 HydrophobicContact CE2-CD2 4.21Å; F14-L316 HydrophobicContact CE2-CG 4.24Å; F14-L316 HydrophobicContact CZ-CD1 4.11Å; F14-L316 HydrophobicContact CZ-CD2 3.99Å; F14-L316 HydrophobicContact CZ-CG 4.46Å; F29-L316 HydrophobicContact CE1-CD1 4.39Å; F29-L316 HydrophobicContact CZ-CD1 3.89Å; V50-L316 HydrophobicContact CG1-CD2 4.43Å; N55-L316 WeakPolarHBondContact ND2-CD2 3.35Å; Y304-L316 HydrophobicContact CD1-CD1 4.12Å; Y304-L316 HydrophobicContact CD1-CD2 4.33Å; Y304-L316 HydrophobicContact CD1-CG 4.33Å; Y304-L316 HydrophobicContact CG-CD1 4.42Å; C306-L316 HydrophobicContact CB-CD1 4.35Å |
| 317 | Y | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.3 | 176.9 | -61.2 | -87.9 | 0 | 0 | 0 | 110.7 | F8 E9 H10 F283 L290 Y304 M305 V307 K315 | F8-Y317 AromaticContact CD2-CD1 3.84Å; F8-Y317 HydrophobicContact CD2-CD1 3.84Å; F8-Y317 HydrophobicContact CD2-CE1 4.4Å; F8-Y317 HydrophobicContact CE2-CD1 4.16Å; F8-Y317 HydrophobicContact CE2-CE1 4.27Å; E9-Y317 CarbonylContact O-C 3.54Å; E9-Y317 VanDerWaalsContact O-CA 3.29Å; E9-Y317 WeakPolarHBondContact O-CA 3.34Å; H10-Y317 HydrophobicContact CB-CD1 3.97Å; H10-Y317 HydrophobicContact CB-CE1 3.78Å; H10-Y317 AromaticContact CD2-CE1 3.87Å; H10-Y317 AromaticContact CG-CE1 3.86Å; F283-Y317 HydrophobicContact CE2-CE1 4.43Å; L290-Y317 HydrophobicContact CD2-CE2 4.37Å; L290-Y317 WeakPolarHBondContact CD2-OH 3.35Å; Y304-Y317 VanDerWaalsContact CA-O 3.29Å; Y304-Y317 WeakPolarHBondContact CA-O 3.46Å; M305-Y317 HydrophobicContact CE-CD2 3.8Å; M305-Y317 HydrophobicContact CE-CG 4.06Å; M305-Y317 PolarHBondContact N-O 3.18Å; M305-Y317 PolarHBondContact O-N 3.09Å; V307-Y317 HydrophobicContact CG2-CD2 4.39Å; V307-Y317 HydrophobicContact CG2-CE2 4.14Å; K315-Y317 HydrophobicContact CB-CE2 3.67Å |
| 318 | R | 96.3 | Very high | 92.8 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.5 | 167.5 | -176.1 | 69.9 | -175.5 | 135.2 | 13.2 | 109.2 | F8 E9 L11 G303 L320 Y322 G323 | F8-R318 CarbonylContact C-O 3.5Å; F8-R318 WeakPolarHBondContact CA-O 3.39Å; F8-R318 VanDerWaalsContact CB-O 3.26Å; F8-R318 WeakPolarHBondContact CB-O 3.41Å; E9-R318 HydrophobicContact CB-CB 4.31Å; E9-R318 PolarHBondContact N-O 3.48Å; E9-R318 PolarHBondContact O-N 3.15Å; L11-R318 HydrophobicContact CD1-CB 3.95Å; L11-R318 HydrophobicContact CD2-CB 4.17Å; L11-R318 HydrophobicContact CG-CB 4.05Å; G303-R318 WeakPolarHBondContact O-CD 3.45Å; G303-R318 PolarHBondContact O-NH1 2.8Å; R318-L320 HydrophobicContact CG-CD2 3.89Å; R318-Y322 PolarHBondContact NH2-O 3.22Å; R318-G323 PolarHBondContact NH1-O 3.2Å; R318-G323 PolarHBondContact NH2-O 2.74Å |
| 319 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.8 | 172.1 | -59.9 | -172.4 | 0 | 0 | 0 | 109.4 | L6 F8 I257 F298 G303 M305 Y321 Y322 | L6-L319 HydrophobicContact CD1-CD2 4.43Å; L6-L319 HydrophobicContact CD2-CD2 3.93Å; L6-L319 HydrophobicContact CG-CD2 4.35Å; F8-L319 HydrophobicContact CB-CD2 3.82Å; I257-L319 HydrophobicContact CD1-CD1 4.19Å; F298-L319 HydrophobicContact CD1-CD1 4.03Å; F298-L319 HydrophobicContact CE1-CD1 3.87Å; G303-L319 PolarHBondContact O-N 3.14Å; M305-L319 HydrophobicContact CB-CD1 4.43Å; M305-L319 HydrophobicContact CB-CG 4.47Å; L319-Y321 VanDerWaalsContact C-N 3.29Å; L319-Y321 PolarHBondContact O-N 2.95Å; L319-Y322 HydrophobicContact CB-CD2 3.71Å; L319-Y322 HydrophobicContact CB-CE2 4.22Å; L319-Y322 HydrophobicContact CD1-CD2 4.22Å; L319-Y322 HydrophobicContact CD1-CE2 4.04Å; L319-Y322 PolarHBondContact O-N 2.51Å |
| 320 | L | 94.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 34.9 Ų | 34.9 | 39% | 0.387 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.1 | -164.4 | -62.3 | -178.1 | 0 | 0 | 0 | 114.7 | Q7 E9 R318 Y322 | Q7-L320 HydrophobicContact CB-CB 4.09Å; Q7-L320 HydrophobicContact CB-CD1 4.18Å; Q7-L320 HydrophobicContact CB-CG 4.49Å; Q7-L320 PolarHBondContact O-N 2.71Å; E9-L320 HydrophobicContact CG-CD1 4.12Å; E9-L320 HydrophobicContact CG-CD2 4.16Å; E9-L320 HydrophobicContact CG-CG 4.43Å; R318-L320 HydrophobicContact CG-CD2 3.89Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 2.97Å |
| 321 | Y | 92.2 | Very high | 92.4 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 27% | 0.271 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17 | 177.1 | -65.1 | -68.2 | 0 | 0 | 0 | 114.1 | M1 P2 L6 Q7 L319 | M1-Y321 HydrophobicContact CB-CD1 4.38Å; M1-Y321 HydrophobicContact CB-CD2 4.1Å; M1-Y321 HydrophobicContact CB-CE2 4.42Å; M1-Y321 HydrophobicContact CB-CG 4.08Å; M1-Y321 HydrophobicContact CE-CD2 3.97Å; M1-Y321 HydrophobicContact CE-CG 4.29Å; M1-Y321 HydrophobicContact CG-CD2 3.58Å; M1-Y321 HydrophobicContact CG-CE2 3.68Å; M1-Y321 HydrophobicContact CG-CG 4.08Å; M1-Y321 HydrophobicContact SD-CD2 4.21Å; P2-Y321 WeakPolarHBondContact CD-OH 3.15Å; P2-Y321 HydrophobicContact CG-CE1 4.29Å; P2-Y321 HydrophobicContact CG-CE2 4.45Å; P2-Y321 WeakPolarHBondContact CG-OH 3.28Å; L6-Y321 HydrophobicContact CD1-CD2 4.49Å; Q7-Y321 HydrophobicContact CB-CD2 4.43Å; Q7-Y321 HydrophobicContact CB-CE2 3.62Å; Q7-Y321 HydrophobicContact CG-CE2 4.17Å; Q7-Y321 WeakPolarHBondContact CG-OH 3.41Å; Q7-Y321 PolarHBondContact NE2-OH 3.4Å; Q7-Y321 PolarHBondContact OE1-OH 2.81Å; L319-Y321 VanDerWaalsContact C-N 3.29Å; L319-Y321 PolarHBondContact O-N 2.95Å |
| 322 | Y | 92.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 31 Ų | 31 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -105.8 | 157.9 | -173.8 | -59.8 | -68.6 | 0 | 0 | 0 | 110.7 | M1 N252 S254 D256 I257 S302 R318 L319 L320 | M1-Y322 HydrophobicContact CE-CE1 4.29Å; M1-Y322 HydrophobicContact CE-CE2 3.51Å; M1-Y322 WeakPolarHBondContact CE-OH 3.29Å; N252-Y322 PolarHBondContact ND2-OH 3.21Å; S254-Y322 VanDerWaalsContact OG-CE1 3.28Å; S254-Y322 WeakPolarHBondContact OG-CE1 3.45Å; S254-Y322 PolarHBondContact OG-OH 2.71Å; D256-Y322 WeakPolarHBondContact CB-OH 3.4Å; I257-Y322 HydrophobicContact CD1-CE2 4.34Å; S302-Y322 WeakPolarHBondContact O-CD2 3.4Å; R318-Y322 PolarHBondContact NH2-O 3.22Å; L319-Y322 HydrophobicContact CB-CD2 3.71Å; L319-Y322 HydrophobicContact CB-CE2 4.22Å; L319-Y322 HydrophobicContact CD1-CD2 4.22Å; L319-Y322 HydrophobicContact CD1-CE2 4.04Å; L319-Y322 PolarHBondContact O-N 2.51Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 2.97Å |
| 323 | G | 84.6 | Confident | 92.6 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 52% | 0.515 | 19% | 0.191 | S | C | . | . | trans | -64.8 | -161.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G303 R318 | G303-G323 WeakPolarHBondContact CA-O 3.39Å; R318-G323 PolarHBondContact NH1-O 3.2Å; R318-G323 PolarHBondContact NH2-O 2.74Å | ||
| 324 | G | 82.9 | Confident | 92.6 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 43% | 0.433 | 18% | 0.177 | S | C | . | . | trans | -64.5 | -151.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G303 | G303-G324 WeakPolarHBondContact CA-O 3.43Š| ||
| 325 | Y | 86.8 | Confident | 92.3 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | trans | -51.2 | 0 | 179.7 | -172 | -85.7 | 0 | 0 | 0 | 112.7 | F29 H30 S33 Q34 V35 V50 S299 P300 N301 Y304 | F29-Y325 WeakPolarHBondContact CB-OH 3.32Å; F29-Y325 AromaticContact CD1-CE2 3.58Å; F29-Y325 HydrophobicContact CD1-CE2 3.58Å; F29-Y325 AromaticContact CD1-CZ 3.92Å; F29-Y325 HydrophobicContact CE1-CE2 4.19Å; F29-Y325 HydrophobicContact CG-CE2 4.48Å; H30-Y325 PolarHBondContact N-OH 3.08Å; H30-Y325 WeakPolarHBondContact O-CE1 3.21Å; H30-Y325 PolarHBondContact O-OH 3.21Å; S33-Y325 VanDerWaalsContact O-CE1 3.27Å; S33-Y325 WeakPolarHBondContact O-CE1 3.29Å; S33-Y325 VanDerWaalsContact O-CZ 3.22Å; S33-Y325 PolarHBondContact O-OH 3.34Å; S33-Y325 VanDerWaalsContact O-OH 3.09Å; Q34-Y325 HydrophobicContact CB-CD2 4.36Å; Q34-Y325 HydrophobicContact CG-CD1 4.39Å; Q34-Y325 HydrophobicContact CG-CD2 4.07Å; Q34-Y325 HydrophobicContact CG-CG 3.92Å; V35-Y325 PolarHBondContact O-OH 3.39Å; V50-Y325 HydrophobicContact CB-CD2 4.06Å; V50-Y325 HydrophobicContact CB-CE2 3.88Å; V50-Y325 HydrophobicContact CG1-CD2 3.97Å; V50-Y325 HydrophobicContact CG1-CE2 4.07Å; V50-Y325 HydrophobicContact CG2-CE2 3.92Å; S299-Y325 WeakPolarHBondContact CB-OXT 3.25Å; S299-Y325 PolarHBondContact OG-OXT 3.29Å; P300-Y325 WeakPolarHBondContact CD-OXT 3.44Å; P300-Y325 HydrophobicContact CG-CD1 4.18Å; P300-Y325 HydrophobicContact CG-CE1 3.7Å; N301-Y325 WeakPolarHBondContact CB-O 3.41Å; N301-Y325 PolarHBondContact N-OXT 3.07Å; N301-Y325 PolarHBondContact ND2-O 2.79Å; Y304-Y325 HydrophobicContact CD2-CD2 4.2Å; Y304-Y325 HydrophobicContact CE2-CD2 4.45Å |
Retrieved 325 of 325 residues in 113.9 ms
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