| 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 | 80.6 | Confident | 90.6 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | 0 | 143.8 | 0 | 178.6 | -170 | 178.3 | 0 | 0 | 109.4 | I364 W366 I398 Y400 L433 | M1-I364 HydrophobicContact CE-CB 4.05Å; M1-I364 HydrophobicContact CE-CD1 3.32Å; M1-I364 HydrophobicContact CE-CG1 3.55Å; M1-I364 HydrophobicContact CE-CG2 3.31Å; M1-I364 HydrophobicContact CG-CG2 3.93Å; M1-I364 HydrophobicContact SD-CG2 4.4Å; M1-W366 HydrophobicContact CB-CE3 4.04Å; M1-W366 HydrophobicContact CB-CZ3 3.99Å; M1-W366 HydrophobicContact CG-CE3 4.39Å; M1-I398 PolarHBondContact N-O 3.33Å; M1-I398 PolarHBondContact O-N 3Å; M1-I398 VanDerWaalsContact O-N 3.08Å; M1-Y400 PolarHBondContact N-O 2.68Å; M1-L433 HydrophobicContact CE-CD2 3.7Å; M1-L433 HydrophobicContact SD-CD2 4.32Å | |||
| 2 | T | 86.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.5 | 173.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | I364 T365 I367 L397 | T2-I364 WeakPolarHBondContact O-CA 3.44Å; T2-T365 PolarHBondContact N-O 3.08Å; T2-T365 PolarHBondContact O-N 2.85Å; T2-T365 PolarHBondContact OG1-O 3.17Å; T2-T365 PolarHBondContact OG1-OG1 3.21Å; T2-I367 HydrophobicContact CG2-CD1 3.39Å; T2-I367 HydrophobicContact CG2-CG1 4.3Å; T2-L397 HydrophobicContact CG2-CD1 3.78Å; T2-L397 HydrophobicContact CG2-CG 3.97Å |
| 3 | I | 91 | Very high | 90.6 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | 178.1 | -60.4 | -171 | 0 | 0 | 0 | 109.2 | W7 L9 C363 I364 I398 L435 | I3-W7 HydrophobicContact CG2-CB 3.76Å; I3-L9 HydrophobicContact CD1-CB 4.19Å; I3-L9 HydrophobicContact CD1-CD1 4.09Å; I3-L9 HydrophobicContact CD1-CD2 4.39Å; I3-L9 HydrophobicContact CD1-CG 4.47Å; I3-C363 CarbonylContact C-O 3.45Å; I3-C363 WeakPolarHBondContact CA-O 3.34Å; I3-I364 HydrophobicContact CG1-CG1 4.42Å; I3-I398 HydrophobicContact CD1-CD1 3.39Å; I3-I398 HydrophobicContact CG1-CD1 3.71Å; I3-L435 HydrophobicContact CD1-CD2 3.62Å |
| 4 | S | 92.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -61.6 | 145.1 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | S6 W7 D361 K362 C363 | S4-S6 PolarHBondContact O-N 2.89Å; S4-S6 PolarHBondContact OG-N 2.99Å; S4-W7 PolarHBondContact O-N 3.31Å; S4-D361 WeakPolarHBondContact CB-OD1 3.34Å; S4-D361 PolarHBondContact OG-OD1 2.83Å; S4-D361 PolarHBondContact OG-OD2 2.92Å; S4-K362 WeakPolarHBondContact CB-O 3.28Å; S4-C363 PolarHBondContact N-O 2.89Å | ||
| 5 | D | 89.9 | Confident | 90 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.8 | -179.3 | -70.1 | -36.9 | 0 | 0 | 0 | 113.4 | W7 K438 | D5-W7 PolarHBondContact O-N 3.26Å; D5-K438 WeakPolarHBondContact O-CD 3.21Å; D5-K438 WeakPolarHBondContact O-CE 3.24Å; D5-K438 PolarHBondContact O-NZ 3.41Å |
| 6 | S | 91.4 | Very high | 89.8 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 113.5 | S4 K438 | S4-S6 PolarHBondContact O-N 2.89Å; S4-S6 PolarHBondContact OG-N 2.99Å; S6-K438 WeakPolarHBondContact O-CB 3.33Å; S6-K438 PolarHBondContact O-N 3.19Å |
| 7 | W | 94.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.8 | -171.1 | -61.1 | 83.9 | 0 | 0 | 0 | 112.6 | I3 S4 D5 M328 I353 D361 F413 L423 L435 V437 K438 F443 | I3-W7 HydrophobicContact CG2-CB 3.76Å; S4-W7 PolarHBondContact O-N 3.31Å; D5-W7 PolarHBondContact O-N 3.26Å; W7-M328 HydrophobicContact CH2-CE 3.89Å; W7-M328 HydrophobicContact CH2-SD 4.5Å; W7-M328 HydrophobicContact CZ2-CE 3.97Å; W7-I353 HydrophobicContact CH2-CD1 4.21Å; W7-I353 HydrophobicContact CZ2-CD1 3.24Å; W7-D361 PolarHBondContact NE1-OD2 2.8Å; W7-F413 HydrophobicContact CH2-CD2 4.46Å; W7-F413 AromaticContact CH2-CE2 4Å; W7-F413 HydrophobicContact CH2-CE2 4Å; W7-F413 HydrophobicContact CZ3-CE2 4.36Å; W7-L423 HydrophobicContact CE3-CB 4.39Å; W7-L423 HydrophobicContact CH2-CB 3.91Å; W7-L423 HydrophobicContact CH2-CD2 3.95Å; W7-L423 HydrophobicContact CZ3-CB 3.47Å; W7-L423 VanDerWaalsContact CZ3-CB 3.47Å; W7-L423 HydrophobicContact CZ3-CD2 4.06Å; W7-L423 HydrophobicContact CZ3-CG 4.44Å; W7-L435 HydrophobicContact CD2-CB 4.34Å; W7-L435 HydrophobicContact CE3-CB 3.54Å; W7-L435 HydrophobicContact CZ3-CB 4.14Å; W7-V437 HydrophobicContact CD2-CG2 4.5Å; W7-V437 HydrophobicContact CE3-CG2 3.91Å; W7-V437 HydrophobicContact CH2-CG2 3.35Å; W7-V437 HydrophobicContact CZ2-CG2 3.89Å; W7-V437 HydrophobicContact CZ3-CB 4.47Å; W7-V437 HydrophobicContact CZ3-CG2 3.34Å; W7-K438 VanDerWaalsContact O-CE 3.3Å; W7-K438 WeakPolarHBondContact O-CE 3.33Å; W7-F443 AromaticContact CE2-CZ 3.91Å; W7-F443 HydrophobicContact CZ2-CE1 4.18Å; W7-F443 AromaticContact CZ2-CZ 3.63Å; W7-F443 HydrophobicContact CZ2-CZ 3.63Å; W7-F443 AromaticContact NE1-CE1 3.86Å; W7-F443 AromaticContact NE1-CZ 3.96Å |
| 8 | L | 93.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.2 | 167.8 | -70.6 | 161.8 | 0 | 0 | 0 | 108 | A10 L435 I436 K438 | L8-A10 PolarHBondContact O-N 2.86Å; L8-A10 VanDerWaalsContact O-N 3.15Å; L8-L435 CarbonylContact O-C 3.57Å; L8-L435 WeakPolarHBondContact O-CA 3.46Å; L8-I436 HydrophobicContact CB-CB 4.33Å; L8-I436 PolarHBondContact N-O 2.76Å; L8-I436 PolarHBondContact O-N 2.84Å; L8-K438 HydrophobicContact CD1-CG 3.84Å; L8-K438 HydrophobicContact CD2-CD 4.43Å; L8-K438 HydrophobicContact CD2-CG 4.22Å; L8-K438 HydrophobicContact CG-CD 4.27Å; L8-K438 HydrophobicContact CG-CG 3.57Å |
| 9 | L | 93.1 | Very high | 90.1 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 104.9 | 169.6 | 178.6 | 64.8 | 0 | 0 | 0 | 109.2 | I3 K11 H12 I398 L433 L435 | I3-L9 HydrophobicContact CD1-CB 4.19Å; I3-L9 HydrophobicContact CD1-CD1 4.09Å; I3-L9 HydrophobicContact CD1-CD2 4.39Å; I3-L9 HydrophobicContact CD1-CG 4.47Å; L9-K11 WeakPolarHBondContact CD1-O 3.44Å; L9-H12 HydrophobicContact CD1-CB 4.12Å; L9-H12 HydrophobicContact CD2-CB 4.09Å; L9-I398 HydrophobicContact CD2-CD1 3.68Å; L9-I398 HydrophobicContact CD2-CG1 4.2Å; L9-L433 HydrophobicContact CD1-CD2 4.28Å; L9-L435 HydrophobicContact CB-CD2 4.16Å; L9-L435 HydrophobicContact CD1-CD2 3.43Å; L9-L435 VanDerWaalsContact CD1-CD2 3.43Å; L9-L435 HydrophobicContact CG-CD2 4.42Å |
| 10 | A | 91.8 | Very high | 90.3 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L8 I434 I436 | L8-A10 PolarHBondContact O-N 2.86Å; L8-A10 VanDerWaalsContact O-N 3.15Å; A10-I434 HydrophobicContact CB-CB 4.28Å; A10-I434 HydrophobicContact CB-CG2 4.07Å; A10-I434 WeakPolarHBondContact CB-O 3.36Å; A10-I434 PolarHBondContact N-O 3.32Å; A10-I436 HydrophobicContact CB-CD1 3.66Å; A10-I436 HydrophobicContact CB-CG1 4.09Å |
| 11 | K | 91.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 136.5 | 177 | -160.9 | -174.7 | -172.3 | -164.4 | 0 | 110.7 | L9 D13 T67 M432 L433 I434 | L9-K11 WeakPolarHBondContact CD1-O 3.44Å; K11-D13 HydrophobicContact CD-CB 4.14Å; K11-D13 VanDerWaalsContact CE-OD2 3.22Å; K11-D13 WeakPolarHBondContact CE-OD2 3.43Å; K11-D13 HydrophobicContact CG-CB 4.35Å; K11-D13 IonicContact NZ-OD2 3.26Å; K11-D13 PolarHBondContact NZ-OD2 3.1Å; K11-T67 HydrophobicContact CB-CG2 4.13Å; K11-T67 HydrophobicContact CD-CG2 4.27Å; K11-T67 WeakPolarHBondContact CD-O 3.45Å; K11-T67 WeakPolarHBondContact CE-O 3.46Å; K11-T67 HydrophobicContact CG-CG2 4.41Å; K11-T67 PolarHBondContact NZ-O 3.34Å; K11-M432 HydrophobicContact CD-CE 4.27Å; K11-L433 WeakPolarHBondContact O-CA 3.3Å; K11-I434 HydrophobicContact CB-CB 4.16Å; K11-I434 HydrophobicContact CB-CD1 4.08Å; K11-I434 HydrophobicContact CB-CG1 4.15Å; K11-I434 HydrophobicContact CD-CD1 4.38Å; K11-I434 PolarHBondContact N-O 2.94Å; K11-I434 PolarHBondContact O-N 2.88Å |
| 12 | H | 91.7 | Very high | 91.3 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 108.5 | 161.2 | 179.7 | -157.3 | 0 | 0 | 0 | 107 | L9 L14 | L9-H12 HydrophobicContact CD1-CB 4.12Å; L9-H12 HydrophobicContact CD2-CB 4.09Å; H12-L14 WeakPolarHBondContact NE2-CD2 3.42Å |
| 13 | D | 89.3 | Confident | 91.7 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 106.6 | -177.6 | -164.1 | -21.4 | 0 | 0 | 0 | 110.4 | K11 T15 V16 H431 M432 | K11-D13 HydrophobicContact CD-CB 4.14Å; K11-D13 VanDerWaalsContact CE-OD2 3.22Å; K11-D13 WeakPolarHBondContact CE-OD2 3.43Å; K11-D13 HydrophobicContact CG-CB 4.35Å; K11-D13 IonicContact NZ-OD2 3.26Å; K11-D13 PolarHBondContact NZ-OD2 3.1Å; D13-T15 VanDerWaalsContact C-N 3.31Å; D13-T15 PolarHBondContact OD1-N 3.35Å; D13-T15 PolarHBondContact OD1-OG1 3.32Å; D13-V16 HydrophobicContact CB-CG2 3.43Å; D13-V16 VanDerWaalsContact CB-CG2 3.43Å; D13-V16 PolarHBondContact OD1-N 3.28Å; D13-V16 VanDerWaalsContact OD2-CG2 3.28Å; D13-V16 WeakPolarHBondContact OD2-CG2 3.49Å; D13-H431 WeakPolarHBondContact O-CA 3.32Å; D13-M432 PolarHBondContact N-O 2.93Å; D13-M432 PolarHBondContact O-N 3.11Å |
| 14 | L | 86.6 | Confident | 92 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -79.8 | -16.6 | -179.9 | -64.8 | 155.3 | 0 | 0 | 0 | 112.1 | H12 Y400 H431 | H12-L14 WeakPolarHBondContact NE2-CD2 3.42Å; L14-Y400 HydrophobicContact CD2-CD2 3.77Å; L14-Y400 HydrophobicContact CD2-CE2 3.41Å; L14-Y400 VanDerWaalsContact CD2-CE2 3.41Å; L14-H431 PolarHBondContact O-CD2 2.68Å |
| 15 | T | 85.8 | Confident | 92.1 | Very high | 122 Ų | 122 | 45.9 Ų | 45.9 | 75% | 0.748 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -100.4 | -9 | -168.7 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | D13 N17 | D13-T15 VanDerWaalsContact C-N 3.31Å; D13-T15 PolarHBondContact OD1-N 3.35Å; D13-T15 PolarHBondContact OD1-OG1 3.32Å; T15-N17 PolarHBondContact O-N 3.39Å |
| 16 | V | 87 | Confident | 92.4 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -58.8 | -35.9 | -179.2 | -166.1 | 0 | 0 | 0 | 0 | 112.1 | D13 L18 F64 M432 | D13-V16 HydrophobicContact CB-CG2 3.43Å; D13-V16 VanDerWaalsContact CB-CG2 3.43Å; D13-V16 PolarHBondContact OD1-N 3.28Å; D13-V16 VanDerWaalsContact OD2-CG2 3.28Å; D13-V16 WeakPolarHBondContact OD2-CG2 3.49Å; V16-L18 HydrophobicContact CB-CB 4.43Å; V16-L18 HydrophobicContact CG1-CB 3.9Å; V16-F64 HydrophobicContact CG1-CE1 4.15Å; V16-F64 HydrophobicContact CG1-CZ 3.84Å; V16-M432 HydrophobicContact CG2-CB 4.08Å; V16-M432 HydrophobicContact CG2-CE 4.39Å |
| 17 | N | 88.7 | Confident | 92.6 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | trans | 49 | 60.2 | -177.3 | -164.5 | -0.6 | 0 | 0 | 0 | 111.1 | T15 S44 K48 G430 | T15-N17 PolarHBondContact O-N 3.39Å; N17-S44 PolarHBondContact O-OG 2.69Å; N17-K48 PolarHBondContact ND2-NZ 3.23Å; N17-G430 WeakPolarHBondContact CA-O 3.49Å; N17-G430 PolarHBondContact N-O 3.22Å; N17-G430 VanDerWaalsContact N-O 3.16Å | ||
| 18 | L | 91.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -104.6 | 131.9 | -173.8 | -175.4 | 64.4 | 0 | 0 | 0 | 110.5 | V16 V40 D42 K62 V426 G430 | V16-L18 HydrophobicContact CB-CB 4.43Å; V16-L18 HydrophobicContact CG1-CB 3.9Å; L18-V40 HydrophobicContact CD1-CG1 3.98Å; L18-V40 HydrophobicContact CD2-CB 4.49Å; L18-V40 HydrophobicContact CD2-CG1 4.03Å; L18-V40 HydrophobicContact CD2-CG2 4.47Å; L18-V40 HydrophobicContact CG-CG1 4.26Å; L18-D42 HydrophobicContact CD1-CB 3.7Å; L18-K62 HydrophobicContact CD1-CD 4.17Å; L18-V426 HydrophobicContact CB-CG1 4.26Å; L18-V426 HydrophobicContact CD2-CG1 4.33Å; L18-V426 HydrophobicContact CD2-CG2 3.82Å; L18-V426 HydrophobicContact CG-CG1 4.24Å; L18-V426 VanDerWaalsContact O-CG1 3.29Å; L18-V426 WeakPolarHBondContact O-CG1 3.27Å; L18-G430 PolarHBondContact N-O 2.86Å; L18-G430 WeakPolarHBondContact O-CA 3.36Å | ||
| 19 | S | 93.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 40 Ų | 40 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | trans | -126.7 | 123.5 | 175.8 | -172 | 0 | 0 | 0 | 0 | 108.8 | D42 F43 S44 F47 | S19-D42 PolarHBondContact N-OD1 3.49Å; S19-D42 WeakPolarHBondContact O-CA 3.1Å; S19-F43 PolarHBondContact O-N 3.45Å; S19-S44 WeakPolarHBondContact CB-OG 3.41Å; S19-S44 PolarHBondContact N-OG 2.9Å; S19-F47 WeakPolarHBondContact OG-CD2 3.26Å; S19-F47 VanDerWaalsContact OG-CE2 3.25Å; S19-F47 WeakPolarHBondContact OG-CE2 3.27Å | ||
| 20 | T | 95.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | trans | -158.5 | 177.7 | -173.4 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | M25 V40 A41 A410 V426 | T20-M25 HydrophobicContact CG2-CG 3.58Å; T20-M25 HydrophobicContact CG2-SD 3.47Å; T20-M25 WeakPolarHBondContact CG2-SD 3.48Å; T20-V40 HydrophobicContact CG2-CG1 3.68Å; T20-V40 WeakPolarHBondContact OG1-CG1 3.4Å; T20-A41 WeakPolarHBondContact CB-O 3.32Å; T20-A41 PolarHBondContact OG1-O 3.36Å; T20-A410 HydrophobicContact CG2-CB 3.7Å; T20-V426 HydrophobicContact CG2-CB 4.17Å; T20-V426 HydrophobicContact CG2-CG1 4.23Å; T20-V426 HydrophobicContact CG2-CG2 4Å | ||
| 21 | F | 95.4 | Very high | 91.5 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | trans | -123.2 | 152.3 | 175 | -58.9 | -75 | 0 | 0 | 0 | 109.7 | Q23 C24 M25 F43 F47 | F21-Q23 HydrophobicContact CB-CG 4.18Å; F21-Q23 PolarHBondContact O-N 3.27Å; F21-C24 CarbonylContact O-C 3.59Å; F21-C24 WeakPolarHBondContact O-CA 3.43Å; F21-C24 WeakPolarHBondContact O-CB 3.4Å; F21-C24 PolarHBondContact O-N 3.27Å; F21-M25 PolarHBondContact O-N 3.5Å; F21-F43 HydrophobicContact CD2-CD2 4.43Å; F21-F43 HydrophobicContact CD2-CE2 4.11Å; F21-F43 HydrophobicContact CD2-CZ 4.21Å; F21-F43 HydrophobicContact CE2-CD1 4.44Å; F21-F43 HydrophobicContact CE2-CE1 4.41Å; F21-F43 HydrophobicContact CE2-CZ 4.44Å; F21-F47 HydrophobicContact CE2-CZ 4.26Å; F21-F47 AromaticContact CZ-CZ 3.93Å; F21-F47 HydrophobicContact CZ-CZ 3.93Å | ||
| 22 | S | 96.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -56.4 | -36.7 | -177.7 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | C24 M25 T324 A410 C411 | S22-C24 PolarHBondContact O-N 3.44Å; S22-M25 PolarHBondContact O-N 2.94Å; S22-T324 PolarHBondContact OG-OG1 3.05Å; S22-A410 WeakPolarHBondContact OG-CA 3.45Å; S22-C411 PolarHBondContact OG-N 3.26Å; S22-C411 PolarHBondContact OG-O 3.2Å |
| 23 | Q | 95.2 | Very high | 90.4 | Very high | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -68.8 | -14.5 | 175.4 | 67.3 | -154.7 | 52.4 | 0 | 0 | 114.6 | F21 S80 G81 I82 | F21-Q23 HydrophobicContact CB-CG 4.18Å; F21-Q23 PolarHBondContact O-N 3.27Å; Q23-S80 WeakPolarHBondContact CG-O 3.29Å; Q23-S80 PolarHBondContact NE2-O 3.34Å; Q23-G81 WeakPolarHBondContact O-CA 3.48Å; Q23-I82 PolarHBondContact O-N 3.06Å |
| 24 | C | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -106.5 | 14.6 | 178.4 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | F21 S22 V40 A41 F43 P79 | F21-C24 CarbonylContact O-C 3.59Å; F21-C24 WeakPolarHBondContact O-CA 3.43Å; F21-C24 WeakPolarHBondContact O-CB 3.4Å; F21-C24 PolarHBondContact O-N 3.27Å; S22-C24 PolarHBondContact O-N 3.44Å; C24-V40 WeakPolarHBondContact O-CA 3.33Å; C24-A41 HydrophobicContact CB-CB 4.11Å; C24-A41 PolarHBondContact O-N 3.24Å; C24-F43 HydrophobicContact CB-CE2 4.09Å; C24-P79 PolarHBondContact SG-O 3.37Å |
| 25 | M | 95.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135 | 172.1 | -63.4 | 179.8 | 69.3 | 0 | 0 | 109.4 | T20 F21 S22 L38 I39 V40 A410 C412 I424 V426 | T20-M25 HydrophobicContact CG2-CG 3.58Å; T20-M25 HydrophobicContact CG2-SD 3.47Å; T20-M25 WeakPolarHBondContact CG2-SD 3.48Å; F21-M25 PolarHBondContact O-N 3.5Å; S22-M25 PolarHBondContact O-N 2.94Å; M25-L38 HydrophobicContact CE-CD1 4.16Å; M25-I39 WeakPolarHBondContact CA-O 3.42Å; M25-V40 HydrophobicContact CE-CG2 4.2Å; M25-V40 HydrophobicContact CG-CG1 3.99Å; M25-V40 HydrophobicContact CG-CG2 4.1Å; M25-A410 HydrophobicContact SD-CB 3.54Å; M25-A410 VanDerWaalsContact SD-CB 3.54Å; M25-C412 HydrophobicContact CB-CB 4.37Å; M25-I424 HydrophobicContact CE-CG2 3.75Å; M25-V426 HydrophobicContact CE-CG2 3.71Å; M25-V426 HydrophobicContact SD-CG2 3.92Å |
| 26 | C | 95.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.1 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | I39 P84 | C26-I39 PolarHBondContact N-O 3.26Å; C26-I39 PolarHBondContact O-N 3.19Å; C26-P84 HydrophobicContact CB-CG 4.26Å |
| 27 | L | 95.3 | Very high | 90.8 | Very high | 29 Ų | 29 | 33 Ų | 33 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.7 | 175.3 | -55.9 | 176.3 | 0 | 0 | 0 | 109.6 | E37 L38 P84 Y416 I424 | L27-E37 WeakPolarHBondContact CA-O 3.42Å; L27-L38 HydrophobicContact CD2-CB 3.89Å; L27-L38 HydrophobicContact CD2-CD1 3.76Å; L27-L38 HydrophobicContact CD2-CG 4.44Å; L27-P84 WeakPolarHBondContact O-CG 3.37Å; L27-Y416 HydrophobicContact CD2-CD2 3.92Å; L27-Y416 HydrophobicContact CD2-CG 4.4Å; L27-I424 HydrophobicContact CD2-CD1 3.61Å |
| 28 | G | 91.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 157.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I30 E37 | G28-I30 PolarHBondContact O-N 3.14Å; G28-E37 PolarHBondContact N-O 2.87Å; G28-E37 VanDerWaalsContact N-O 3.12Å; G28-E37 PolarHBondContact O-N 2.96Å |
| 29 | D | 90 | Very high | 91.3 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | trans | -88.1 | 100.6 | 173.6 | -174.6 | 1 | 0 | 0 | 0 | 109.5 | F31 D32 S33 S34 L95 | D29-F31 PolarHBondContact OD1-N 3.18Å; D29-D32 WeakPolarHBondContact OD1-CA 3.33Å; D29-D32 PolarHBondContact OD1-N 3.39Å; D29-S33 PolarHBondContact OD1-N 2.96Å; D29-S33 PolarHBondContact OD1-OG 3.39Å; D29-S33 PolarHBondContact OD2-N 2.93Å; D29-S34 VanDerWaalsContact OD2-CA 3.24Å; D29-S34 WeakPolarHBondContact OD2-CA 3.24Å; D29-S34 PolarHBondContact OD2-N 3.05Å; D29-L95 PolarHBondContact O-N 2.92Å | ||
| 30 | I | 85.6 | Confident | 91.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -95.8 | -19.5 | -178.2 | -63.7 | 177.6 | 0 | 0 | 0 | 111.4 | G28 E37 I39 C94 L97 L111 | G28-I30 PolarHBondContact O-N 3.14Å; I30-E37 PolarHBondContact N-OE2 3.48Å; I30-I39 HydrophobicContact CD1-CD1 3.34Å; I30-I39 HydrophobicContact CD1-CG1 3.49Å; I30-I39 VanDerWaalsContact CD1-CG1 3.49Å; I30-I39 HydrophobicContact CG1-CD1 4.19Å; I30-C94 PolarHBondContact O-SG 3.12Å; I30-L97 HydrophobicContact CD1-CB 4.16Å; I30-L97 HydrophobicContact CD1-CD1 4.06Å; I30-L97 HydrophobicContact CD1-CD2 4.24Å; I30-L97 HydrophobicContact CD1-CG 4.4Å; I30-L111 HydrophobicContact CD1-CD2 4.35Å; I30-L111 HydrophobicContact CG2-CD2 4.17Å; I30-L111 HydrophobicContact CG2-CG 4.2Å |
| 31 | F | 83.3 | Confident | 91.4 | Very high | 71 Ų | 71 | 27.9 Ų | 27.9 | 31% | 0.311 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -105.4 | 6.1 | -173.4 | -62.6 | -69.4 | 0 | 0 | 0 | 113.9 | D29 S33 E37 I63 L111 | D29-F31 PolarHBondContact OD1-N 3.18Å; F31-S33 PolarHBondContact O-N 3.3Å; F31-E37 HydrophobicContact CD2-CG 4.05Å; F31-E37 HydrophobicContact CE2-CG 4.17Å; F31-I63 HydrophobicContact CE2-CG2 4.29Å; F31-L111 HydrophobicContact CE1-CD1 3.95Å; F31-L111 HydrophobicContact CE1-CG 4.11Å; F31-L111 HydrophobicContact CE2-CD1 4.28Å; F31-L111 HydrophobicContact CZ-CD1 3.36Å; F31-L111 HydrophobicContact CZ-CG 3.89Å |
| 32 | D | 78.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 24 Ų | 24 | 39% | 0.385 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 55.7 | 42.8 | -173.5 | -167.2 | 22.7 | 0 | 0 | 0 | 111.6 | D29 C94 | D29-D32 WeakPolarHBondContact OD1-CA 3.33Å; D29-D32 PolarHBondContact OD1-N 3.39Å; D32-C94 HydrophobicContact CB-CB 3.98Å |
| 33 | S | 80.7 | Confident | 91.1 | Very high | 39 Ų | 39 | 23.1 Ų | 23.1 | 27% | 0.273 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -100.8 | -0.7 | -173.6 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | D29 F31 T35 E37 K65 | D29-S33 PolarHBondContact OD1-N 2.96Å; D29-S33 PolarHBondContact OD1-OG 3.39Å; D29-S33 PolarHBondContact OD2-N 2.93Å; F31-S33 PolarHBondContact O-N 3.3Å; S33-T35 PolarHBondContact O-N 3.1Å; S33-T35 VanDerWaalsContact O-N 3.13Å; S33-T35 PolarHBondContact OG-O 2.89Å; S33-T35 PolarHBondContact OG-OG1 2.63Å; S33-E37 PolarHBondContact OG-OE1 3.41Å; S33-E37 VanDerWaalsContact OG-OE1 3.12Å; S33-K65 PolarHBondContact OG-NZ 3.36Å |
| 34 | S | 82.5 | Confident | 90.8 | Very high | 90 Ų | 90 | 19.2 Ų | 19.2 | 63% | 0.629 | 11% | 0.111 | S | C | * | . | S | Bend | trans | 64.6 | -2.2 | -171 | 75 | 0 | 0 | 0 | 0 | 115.4 | D29 K415 | D29-S34 VanDerWaalsContact OD2-CA 3.24Å; D29-S34 WeakPolarHBondContact OD2-CA 3.24Å; D29-S34 PolarHBondContact OD2-N 3.05Å; S34-K415 PolarHBondContact O-NZ 3.21Å |
| 35 | T | 88.9 | Confident | 90.2 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -113.2 | 141.6 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | S33 K65 D417 R418 | S33-T35 PolarHBondContact O-N 3.1Å; S33-T35 VanDerWaalsContact O-N 3.13Å; S33-T35 PolarHBondContact OG-O 2.89Å; S33-T35 PolarHBondContact OG-OG1 2.63Å; T35-K65 WeakPolarHBondContact OG1-CE 3.22Å; T35-K65 PolarHBondContact OG1-NZ 2.99Å; T35-D417 VanDerWaalsContact CA-O 3.29Å; T35-D417 WeakPolarHBondContact CA-O 3.19Å; T35-D417 WeakPolarHBondContact CB-O 3.26Å; T35-D417 WeakPolarHBondContact CB-OD1 3.35Å; T35-D417 WeakPolarHBondContact CG2-OD1 3.21Å; T35-R418 HydrophobicContact CG2-CG 3.8Å |
| 36 | N | 92.2 | Very high | 89.5 | Confident | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -86.9 | 134.7 | -180 | -73.8 | 11.2 | 0 | 0 | 0 | 110.6 | K415 Y416 D417 | N36-K415 HydrophobicContact CB-CG 4.46Å; N36-K415 WeakPolarHBondContact CB-O 3.2Å; N36-K415 WeakPolarHBondContact ND2-CB 3.45Å; N36-K415 PolarHBondContact ND2-O 3.49Å; N36-Y416 WeakPolarHBondContact O-CD2 3.2Å; N36-D417 PolarHBondContact N-O 3.37Å; N36-D417 WeakPolarHBondContact O-CA 3.44Å; N36-D417 PolarHBondContact O-N 3.35Å |
| 37 | E | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 160 | 168.5 | -67.6 | 79 | -159.9 | 0 | 0 | 111.2 | L27 G28 I30 F31 S33 I39 I63 F64 K65 I70 | L27-E37 WeakPolarHBondContact CA-O 3.42Å; G28-E37 PolarHBondContact N-O 2.87Å; G28-E37 VanDerWaalsContact N-O 3.12Å; G28-E37 PolarHBondContact O-N 2.96Å; I30-E37 PolarHBondContact N-OE2 3.48Å; F31-E37 HydrophobicContact CD2-CG 4.05Å; F31-E37 HydrophobicContact CE2-CG 4.17Å; S33-E37 PolarHBondContact OG-OE1 3.41Å; S33-E37 VanDerWaalsContact OG-OE1 3.12Å; E37-I39 HydrophobicContact CB-CD1 4.32Å; E37-I63 HydrophobicContact CB-CG2 3.91Å; E37-I63 HydrophobicContact CG-CG2 4.17Å; E37-F64 WeakPolarHBondContact CA-O 3.33Å; E37-K65 HydrophobicContact CG-CB 4.31Å; E37-K65 HydrophobicContact CG-CD 4.46Å; E37-K65 IonicContact OE1-NZ 3.61Å; E37-K65 PolarHBondContact OE1-NZ 3.18Å; E37-I70 HydrophobicContact CG-CD1 4.19Å |
| 38 | L | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.2 | 168.3 | 165.3 | 69.3 | 0 | 0 | 0 | 107.2 | M25 L27 V40 I63 F64 Y416 I424 M432 | M25-L38 HydrophobicContact CE-CD1 4.16Å; L27-L38 HydrophobicContact CD2-CB 3.89Å; L27-L38 HydrophobicContact CD2-CD1 3.76Å; L27-L38 HydrophobicContact CD2-CG 4.44Å; L38-V40 HydrophobicContact CD1-CG2 3.65Å; L38-V40 HydrophobicContact CD2-CG2 4Å; L38-V40 HydrophobicContact CG-CG2 3.7Å; L38-I63 CarbonylContact O-C 3.6Å; L38-I63 WeakPolarHBondContact O-CA 3.48Å; L38-F64 HydrophobicContact CB-CB 4.22Å; L38-F64 HydrophobicContact CD2-CB 4.24Å; L38-F64 HydrophobicContact CD2-CD2 3.98Å; L38-F64 HydrophobicContact CD2-CG 4.34Å; L38-F64 HydrophobicContact CG-CD2 4.34Å; L38-F64 PolarHBondContact N-O 2.9Å; L38-F64 PolarHBondContact O-N 2.71Å; L38-Y416 HydrophobicContact CB-CD2 3.86Å; L38-Y416 HydrophobicContact CB-CE2 3.37Å; L38-Y416 VanDerWaalsContact N-CE2 3.35Å; L38-I424 HydrophobicContact CB-CD1 4.25Å; L38-I424 HydrophobicContact CD1-CD1 4.11Å; L38-I424 HydrophobicContact CD1-CG2 4.42Å; L38-I424 HydrophobicContact CD2-CD1 4.06Å; L38-I424 HydrophobicContact CD2-CG2 3.77Å; L38-I424 HydrophobicContact CG-CD1 4.34Å; L38-M432 HydrophobicContact CD2-SD 4.11Å |
| 39 | I | 95.4 | Very high | 87 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127 | 177.9 | -54.7 | 92.5 | 0 | 0 | 0 | 107.6 | M25 C26 I30 E37 I61 I63 I82 L97 | M25-I39 WeakPolarHBondContact CA-O 3.42Å; C26-I39 PolarHBondContact N-O 3.26Å; C26-I39 PolarHBondContact O-N 3.19Å; I30-I39 HydrophobicContact CD1-CD1 3.34Å; I30-I39 HydrophobicContact CD1-CG1 3.49Å; I30-I39 VanDerWaalsContact CD1-CG1 3.49Å; I30-I39 HydrophobicContact CG1-CD1 4.19Å; E37-I39 HydrophobicContact CB-CD1 4.32Å; I39-I61 HydrophobicContact CG2-CG2 3.56Å; I39-I63 HydrophobicContact CG1-CG1 4.38Å; I39-I82 HydrophobicContact CG2-CG2 4.47Å; I39-L97 HydrophobicContact CG2-CD1 4.46Å; I39-L97 HydrophobicContact CG2-CD2 3.97Å |
| 40 | V | 95.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.9 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L18 T20 C24 M25 L38 I61 K62 | L18-V40 HydrophobicContact CD1-CG1 3.98Å; L18-V40 HydrophobicContact CD2-CB 4.49Å; L18-V40 HydrophobicContact CD2-CG1 4.03Å; L18-V40 HydrophobicContact CD2-CG2 4.47Å; L18-V40 HydrophobicContact CG-CG1 4.26Å; T20-V40 HydrophobicContact CG2-CG1 3.68Å; T20-V40 WeakPolarHBondContact OG1-CG1 3.4Å; C24-V40 WeakPolarHBondContact O-CA 3.33Å; M25-V40 HydrophobicContact CE-CG2 4.2Å; M25-V40 HydrophobicContact CG-CG1 3.99Å; M25-V40 HydrophobicContact CG-CG2 4.1Å; L38-V40 HydrophobicContact CD1-CG2 3.65Å; L38-V40 HydrophobicContact CD2-CG2 4Å; L38-V40 HydrophobicContact CG-CG2 3.7Å; V40-I61 CarbonylContact O-C 3.55Å; V40-I61 WeakPolarHBondContact O-CA 3.44Å; V40-K62 PolarHBondContact N-O 2.94Å; V40-K62 PolarHBondContact O-N 3.38Å |
| 41 | A | 95.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T20 C24 F43 K60 I61 P79 I82 | T20-A41 WeakPolarHBondContact CB-O 3.32Å; T20-A41 PolarHBondContact OG1-O 3.36Å; C24-A41 HydrophobicContact CB-CB 4.11Å; C24-A41 PolarHBondContact O-N 3.24Å; A41-F43 HydrophobicContact CB-CD2 4.45Å; A41-F43 HydrophobicContact CB-CE2 3.78Å; A41-F43 HydrophobicContact CB-CZ 4.44Å; A41-F43 WeakPolarHBondContact O-CD2 3.43Å; A41-K60 WeakPolarHBondContact CA-O 3.27Å; A41-I61 HydrophobicContact CB-CD1 3.7Å; A41-P79 HydrophobicContact CB-CB 4.45Å; A41-P79 HydrophobicContact CB-CG 3.34Å; A41-I82 HydrophobicContact CB-CD1 3.66Å |
| 42 | D | 94.3 | Very high | 84.1 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.3 | 177.6 | -173.1 | 11.2 | 0 | 0 | 0 | 110.7 | L18 S19 S44 K60 K62 | L18-D42 HydrophobicContact CD1-CB 3.7Å; S19-D42 PolarHBondContact N-OD1 3.49Å; S19-D42 WeakPolarHBondContact O-CA 3.1Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.49Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-K60 HydrophobicContact CB-CB 4.28Å; D42-K60 PolarHBondContact N-O 3.46Å; D42-K60 PolarHBondContact O-N 3.22Å; D42-K62 HydrophobicContact CB-CD 4.13Å; D42-K62 HydrophobicContact CB-CG 4.42Å; D42-K62 VanDerWaalsContact OD2-CE 3.24Å; D42-K62 WeakPolarHBondContact OD2-CE 3.33Å; D42-K62 IonicContact OD2-NZ 2.66Å; D42-K62 PolarHBondContact OD2-NZ 3.12Å |
| 43 | F | 92.4 | Very high | 82.9 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | trans | -105.6 | 5 | 179.2 | -65.8 | -103.2 | 0 | 0 | 0 | 112.1 | S19 F21 C24 A41 Q45 Y46 F47 F59 A78 P79 | S19-F43 PolarHBondContact O-N 3.45Å; F21-F43 HydrophobicContact CD2-CD2 4.43Å; F21-F43 HydrophobicContact CD2-CE2 4.11Å; F21-F43 HydrophobicContact CD2-CZ 4.21Å; F21-F43 HydrophobicContact CE2-CD1 4.44Å; F21-F43 HydrophobicContact CE2-CE1 4.41Å; F21-F43 HydrophobicContact CE2-CZ 4.44Å; C24-F43 HydrophobicContact CB-CE2 4.09Å; A41-F43 HydrophobicContact CB-CD2 4.45Å; A41-F43 HydrophobicContact CB-CE2 3.78Å; A41-F43 HydrophobicContact CB-CZ 4.44Å; A41-F43 WeakPolarHBondContact O-CD2 3.43Å; F43-Q45 VanDerWaalsContact C-N 3.3Å; F43-Q45 PolarHBondContact O-N 3.5Å; F43-Y46 WeakPolarHBondContact O-CB 3.16Å; F43-Y46 PolarHBondContact O-N 3.01Å; F43-F47 HydrophobicContact CB-CD2 3.74Å; F43-F47 HydrophobicContact CB-CE2 3.43Å; F43-F47 VanDerWaalsContact CB-CE2 3.43Å; F43-F47 HydrophobicContact CB-CZ 4.35Å; F43-F47 HydrophobicContact CG-CE2 4.3Å; F43-F47 VanDerWaalsContact O-CD2 3.23Å; F43-F47 WeakPolarHBondContact O-CD2 3.27Å; F43-F47 PolarHBondContact O-N 3.24Å; F43-F59 AromaticContact CD1-CD1 3.74Å; F43-F59 HydrophobicContact CD1-CD1 3.74Å; F43-F59 AromaticContact CD1-CE1 3.57Å; F43-F59 HydrophobicContact CD1-CE1 3.57Å; F43-F59 HydrophobicContact CE1-CD1 4Å; F43-F59 AromaticContact CE1-CE1 3.91Å; F43-F59 HydrophobicContact CE1-CE1 3.91Å; F43-F59 HydrophobicContact CG-CD1 4.31Å; F43-F59 HydrophobicContact CG-CE1 4.47Å; F43-A78 HydrophobicContact CE1-CB 4.26Å; F43-P79 HydrophobicContact CE1-CG 4.47Å; F43-P79 HydrophobicContact CE2-CG 4.17Å; F43-P79 HydrophobicContact CZ-CG 3.67Å | ||
| 44 | S | 88.4 | Confident | 81.4 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | -172.5 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | N17 S19 D42 F47 K48 | N17-S44 PolarHBondContact O-OG 2.69Å; S19-S44 WeakPolarHBondContact CB-OG 3.41Å; S19-S44 PolarHBondContact N-OG 2.9Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.49Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; S44-F47 PolarHBondContact O-N 3.47Å; S44-K48 VanDerWaalsContact O-CG 3.3Å; S44-K48 WeakPolarHBondContact O-CG 3.38Å; S44-K48 PolarHBondContact O-N 2.89Å |
| 45 | Q | 82.7 | Confident | 80 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 177.6 | -173.4 | 167.7 | -7 | 0 | 0 | 111.8 | F43 K48 N49 | F43-Q45 VanDerWaalsContact C-N 3.3Å; F43-Q45 PolarHBondContact O-N 3.5Å; Q45-K48 PolarHBondContact O-N 3.01Å; Q45-N49 WeakPolarHBondContact O-CB 3.16Å; Q45-N49 PolarHBondContact O-N 2.87Å |
| 46 | Y | 81.4 | Confident | 78.7 | Confident | 74 Ų | 74 | 56 Ų | 56 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 173.8 | 172.5 | -99.2 | 0 | 0 | 0 | 111.2 | F43 K48 N49 I50 F57 F59 | F43-Y46 WeakPolarHBondContact O-CB 3.16Å; F43-Y46 PolarHBondContact O-N 3.01Å; Y46-K48 PolarHBondContact O-N 3.08Å; Y46-N49 CarbonylContact O-C 3.53Å; Y46-N49 PolarHBondContact O-N 2.81Å; Y46-I50 HydrophobicContact CD1-CD1 4.25Å; Y46-I50 HydrophobicContact CE1-CD1 3.49Å; Y46-I50 VanDerWaalsContact CE1-CD1 3.49Å; Y46-I50 HydrophobicContact CE1-CG1 4.09Å; Y46-I50 HydrophobicContact CE2-CG1 4.48Å; Y46-I50 PolarHBondContact O-N 3.49Å; Y46-F57 HydrophobicContact CD2-CB 3.95Å; Y46-F57 AromaticContact CD2-CD1 3.69Å; Y46-F57 HydrophobicContact CD2-CD1 3.69Å; Y46-F57 HydrophobicContact CD2-CD2 4.16Å; Y46-F57 HydrophobicContact CD2-CE1 4.22Å; Y46-F57 AromaticContact CD2-CG 3.66Å; Y46-F57 HydrophobicContact CD2-CG 3.66Å; Y46-F57 HydrophobicContact CE2-CD1 4.31Å; Y46-F57 HydrophobicContact CE2-CD2 4.2Å; Y46-F57 HydrophobicContact CE2-CE1 4.5Å; Y46-F57 HydrophobicContact CE2-CE2 4.4Å; Y46-F57 HydrophobicContact CE2-CG 4.16Å; Y46-F59 HydrophobicContact CD2-CE1 4.03Å; Y46-F59 AromaticContact CD2-CZ 3.76Å; Y46-F59 HydrophobicContact CD2-CZ 3.76Å; Y46-F59 HydrophobicContact CE2-CZ 4.42Å; Y46-F59 AromaticContact CG-CE1 3.81Å; Y46-F59 HydrophobicContact CG-CE1 3.81Å; Y46-F59 HydrophobicContact CG-CZ 4.04Å |
| 47 | F | 80.6 | Confident | 77.6 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | -179.6 | -69.9 | -58.8 | 0 | 0 | 0 | 113.6 | S19 F21 F43 S44 N49 I50 | S19-F47 WeakPolarHBondContact OG-CD2 3.26Å; S19-F47 VanDerWaalsContact OG-CE2 3.25Å; S19-F47 WeakPolarHBondContact OG-CE2 3.27Å; F21-F47 HydrophobicContact CE2-CZ 4.26Å; F21-F47 AromaticContact CZ-CZ 3.93Å; F21-F47 HydrophobicContact CZ-CZ 3.93Å; F43-F47 HydrophobicContact CB-CD2 3.74Å; F43-F47 HydrophobicContact CB-CE2 3.43Å; F43-F47 VanDerWaalsContact CB-CE2 3.43Å; F43-F47 HydrophobicContact CB-CZ 4.35Å; F43-F47 HydrophobicContact CG-CE2 4.3Å; F43-F47 VanDerWaalsContact O-CD2 3.23Å; F43-F47 WeakPolarHBondContact O-CD2 3.27Å; F43-F47 PolarHBondContact O-N 3.24Å; S44-F47 PolarHBondContact O-N 3.47Å; F47-N49 VanDerWaalsContact C-N 3.34Å; F47-I50 HydrophobicContact CD1-CD1 4.11Å; F47-I50 HydrophobicContact CE1-CD1 4.47Å |
| 48 | K | 77.4 | Confident | 76.7 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 173.4 | -74.4 | 174.2 | -174.9 | 175.4 | 0 | 112.5 | N17 S44 Q45 Y46 | N17-K48 PolarHBondContact ND2-NZ 3.23Å; S44-K48 VanDerWaalsContact O-CG 3.3Å; S44-K48 WeakPolarHBondContact O-CG 3.38Å; S44-K48 PolarHBondContact O-N 2.89Å; Q45-K48 PolarHBondContact O-N 3.01Å; Y46-K48 PolarHBondContact O-N 3.08Å |
| 49 | N | 72.7 | Confident | 76.2 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -95.1 | 2.1 | -176.3 | -69.6 | -16.1 | 0 | 0 | 0 | 113.6 | Q45 Y46 F47 H51 S52 F57 | Q45-N49 WeakPolarHBondContact O-CB 3.16Å; Q45-N49 PolarHBondContact O-N 2.87Å; Y46-N49 CarbonylContact O-C 3.53Å; Y46-N49 PolarHBondContact O-N 2.81Å; F47-N49 VanDerWaalsContact C-N 3.34Å; N49-H51 PolarHBondContact O-N 3.17Å; N49-S52 WeakPolarHBondContact CA-OG 3.44Å; N49-S52 WeakPolarHBondContact CB-OG 3.34Å; N49-S52 PolarHBondContact O-N 2.71Å; N49-S52 PolarHBondContact O-OG 3.09Å; N49-F57 HydrophobicContact CB-CD1 4.12Å; N49-F57 HydrophobicContact CB-CE1 3.82Å |
| 50 | I | 70.5 | Confident | 76 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.3 | -174.5 | -136 | 168 | 0 | 0 | 0 | 112.6 | Y46 F47 | Y46-I50 HydrophobicContact CD1-CD1 4.25Å; Y46-I50 HydrophobicContact CE1-CD1 3.49Å; Y46-I50 VanDerWaalsContact CE1-CD1 3.49Å; Y46-I50 HydrophobicContact CE1-CG1 4.09Å; Y46-I50 HydrophobicContact CE2-CG1 4.48Å; Y46-I50 PolarHBondContact O-N 3.49Å; F47-I50 HydrophobicContact CD1-CD1 4.11Å; F47-I50 HydrophobicContact CE1-CD1 4.47Å |
| 51 | H | 65.6 | Low | 75.8 | Confident | 176 Ų | 176 | 65.5 Ų | 65.5 | 82% | 0.815 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -10.4 | 176.7 | -61.5 | -60.2 | 0 | 0 | 0 | 113.6 | N49 | N49-H51 PolarHBondContact O-N 3.17Š|
| 52 | S | 60.7 | Low | 75.7 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -88.5 | 125.7 | 175.9 | 71.2 | 0 | 0 | 0 | 0 | 108.9 | N49 L54 | N49-S52 WeakPolarHBondContact CA-OG 3.44Å; N49-S52 WeakPolarHBondContact CB-OG 3.34Å; N49-S52 PolarHBondContact O-N 2.71Å; N49-S52 PolarHBondContact O-OG 3.09Å; S52-L54 PolarHBondContact O-N 3.23Å |
| 53 | N | 54.1 | Low | 75.7 | Confident | 173 Ų | 173 | 66.4 Ų | 66.4 | 93% | 0.925 | 36% | 0.355 | S | S | * | . | trans | -68.1 | 10.6 | 174.2 | -72.3 | -23.9 | 0 | 0 | 0 | 112.9 | G55 | N53-G55 PolarHBondContact O-N 3.36Å; N53-G55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | L | 49.4 | Very low | 75.7 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | trans | -73 | 104.4 | 176.1 | -79.4 | 96.7 | 0 | 0 | 0 | 108.5 | S52 G56 | S52-L54 PolarHBondContact O-N 3.23Å; L54-G56 PolarHBondContact O-N 3.28Å | ||
| 55 | G | 52.9 | Low | 75.8 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 83% | 0.825 | 36% | 0.363 | S | S | * | . | trans | -59.8 | 124 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | N53 | N53-G55 PolarHBondContact O-N 3.36Å; N53-G55 VanDerWaalsContact O-N 3.12Å | ||
| 56 | G | 61.4 | Low | 76.1 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | trans | 139.5 | 65.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L54 | L54-G56 PolarHBondContact O-N 3.28Š| ||
| 57 | F | 68.9 | Low | 76.2 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | trans | -87.9 | 115.4 | 170.4 | -55.7 | -65.5 | 0 | 0 | 0 | 108.2 | Y46 N49 F59 | Y46-F57 HydrophobicContact CD2-CB 3.95Å; Y46-F57 AromaticContact CD2-CD1 3.69Å; Y46-F57 HydrophobicContact CD2-CD1 3.69Å; Y46-F57 HydrophobicContact CD2-CD2 4.16Å; Y46-F57 HydrophobicContact CD2-CE1 4.22Å; Y46-F57 AromaticContact CD2-CG 3.66Å; Y46-F57 HydrophobicContact CD2-CG 3.66Å; Y46-F57 HydrophobicContact CE2-CD1 4.31Å; Y46-F57 HydrophobicContact CE2-CD2 4.2Å; Y46-F57 HydrophobicContact CE2-CE1 4.5Å; Y46-F57 HydrophobicContact CE2-CE2 4.4Å; Y46-F57 HydrophobicContact CE2-CG 4.16Å; N49-F57 HydrophobicContact CB-CD1 4.12Å; N49-F57 HydrophobicContact CB-CE1 3.82Å; F57-F59 HydrophobicContact CB-CE2 4.17Å; F57-F59 HydrophobicContact CB-CZ 4.27Å | ||
| 58 | E | 74.8 | Confident | 76.5 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | trans | -99.3 | 128.1 | 169.3 | -69.4 | -174.9 | 168.5 | 0 | 0 | 108.9 | ||||
| 59 | F | 86.2 | Confident | 77.1 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 4% | 0.044 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 155.1 | 168.7 | -57 | -85.1 | 0 | 0 | 0 | 108.2 | F43 Y46 F57 Y75 E77 A78 | F43-F59 AromaticContact CD1-CD1 3.74Å; F43-F59 HydrophobicContact CD1-CD1 3.74Å; F43-F59 AromaticContact CD1-CE1 3.57Å; F43-F59 HydrophobicContact CD1-CE1 3.57Å; F43-F59 HydrophobicContact CE1-CD1 4Å; F43-F59 AromaticContact CE1-CE1 3.91Å; F43-F59 HydrophobicContact CE1-CE1 3.91Å; F43-F59 HydrophobicContact CG-CD1 4.31Å; F43-F59 HydrophobicContact CG-CE1 4.47Å; Y46-F59 HydrophobicContact CD2-CE1 4.03Å; Y46-F59 AromaticContact CD2-CZ 3.76Å; Y46-F59 HydrophobicContact CD2-CZ 3.76Å; Y46-F59 HydrophobicContact CE2-CZ 4.42Å; Y46-F59 AromaticContact CG-CE1 3.81Å; Y46-F59 HydrophobicContact CG-CE1 3.81Å; Y46-F59 HydrophobicContact CG-CZ 4.04Å; F57-F59 HydrophobicContact CB-CE2 4.17Å; F57-F59 HydrophobicContact CB-CZ 4.27Å; F59-Y75 CarbonylContact C-O 3.56Å; F59-Y75 WeakPolarHBondContact CA-O 3.36Å; F59-Y75 WeakPolarHBondContact CB-O 3.33Å; F59-Y75 PolarHBondContact N-O 2.91Å; F59-Y75 CarbonylContact O-C 3.47Å; F59-Y75 WeakPolarHBondContact O-CA 3.41Å; F59-Y75 PolarHBondContact O-N 3.45Å; F59-E77 WeakPolarHBondContact CD2-O 3.45Å; F59-A78 HydrophobicContact CE1-CB 3.85Å; F59-A78 HydrophobicContact CE2-CB 3.91Å; F59-A78 VanDerWaalsContact CE2-N 3.26Å; F59-A78 HydrophobicContact CZ-CB 3.5Å |
| 60 | K | 90.4 | Very high | 77.8 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128 | -175.7 | -75.1 | 158.9 | 176.3 | -131.3 | 0 | 109.7 | A41 D42 E72 | A41-K60 WeakPolarHBondContact CA-O 3.27Å; D42-K60 HydrophobicContact CB-CB 4.28Å; D42-K60 PolarHBondContact N-O 3.46Å; D42-K60 PolarHBondContact O-N 3.22Å; K60-E72 HydrophobicContact CB-CG 3.93Å; K60-E72 HydrophobicContact CD-CG 4.37Å; K60-E72 WeakPolarHBondContact CD-OE1 3.31Å; K60-E72 WeakPolarHBondContact CE-OE1 3.41Å; K60-E72 HydrophobicContact CG-CG 4Å; K60-E72 WeakPolarHBondContact CG-OE1 3.37Å; K60-E72 IonicContact NZ-OE1 3.09Å; K60-E72 PolarHBondContact NZ-OE1 2.89Å |
| 61 | I | 92.2 | Very high | 78.6 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.3 | 169.1 | -54 | -54.3 | 0 | 0 | 0 | 107.6 | I39 V40 A41 I63 E72 V73 Y75 I82 I99 | I39-I61 HydrophobicContact CG2-CG2 3.56Å; V40-I61 CarbonylContact O-C 3.55Å; V40-I61 WeakPolarHBondContact O-CA 3.44Å; A41-I61 HydrophobicContact CB-CD1 3.7Å; I61-I63 HydrophobicContact CG2-CD1 4.31Å; I61-E72 CarbonylContact O-C 3.57Å; I61-E72 WeakPolarHBondContact O-CA 3.43Å; I61-V73 HydrophobicContact CB-CB 4.43Å; I61-V73 PolarHBondContact N-O 3.24Å; I61-V73 PolarHBondContact O-N 3.33Å; I61-Y75 HydrophobicContact CD1-CG 4.49Å; I61-Y75 HydrophobicContact CG1-CD2 4.18Å; I61-Y75 HydrophobicContact CG1-CG 4.27Å; I61-I82 HydrophobicContact CD1-CD1 3.67Å; I61-I99 HydrophobicContact CD1-CD1 4.01Å; I61-I99 HydrophobicContact CG1-CD1 3.88Å |
| 62 | K | 93.9 | Very high | 79.8 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.4 | 178.3 | -69.4 | -176.7 | 170 | 167.5 | 0 | 110.2 | L18 V40 D42 F64 F69 E72 | L18-K62 HydrophobicContact CD1-CD 4.17Å; V40-K62 PolarHBondContact N-O 2.94Å; V40-K62 PolarHBondContact O-N 3.38Å; D42-K62 HydrophobicContact CB-CD 4.13Å; D42-K62 HydrophobicContact CB-CG 4.42Å; D42-K62 VanDerWaalsContact OD2-CE 3.24Å; D42-K62 WeakPolarHBondContact OD2-CE 3.33Å; D42-K62 IonicContact OD2-NZ 2.66Å; D42-K62 PolarHBondContact OD2-NZ 3.12Å; K62-F64 HydrophobicContact CB-CE2 3.71Å; K62-F64 HydrophobicContact CB-CZ 4.22Å; K62-F64 HydrophobicContact CD-CZ 4.41Å; K62-F69 HydrophobicContact CB-CE2 4.06Å; K62-F69 HydrophobicContact CD-CE2 4.35Å; K62-F69 HydrophobicContact CG-CE2 3.98Å; K62-E72 WeakPolarHBondContact CE-OE2 3.4Å; K62-E72 HydrophobicContact CG-CB 4.4Å; K62-E72 HydrophobicContact CG-CG 4.34Å |
| 63 | I | 93.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.9 | -179.1 | -56.2 | 93.4 | 0 | 0 | 0 | 109.6 | F31 E37 L38 I39 I61 I70 K71 V73 L111 | F31-I63 HydrophobicContact CE2-CG2 4.29Å; E37-I63 HydrophobicContact CB-CG2 3.91Å; E37-I63 HydrophobicContact CG-CG2 4.17Å; L38-I63 CarbonylContact O-C 3.6Å; L38-I63 WeakPolarHBondContact O-CA 3.48Å; I39-I63 HydrophobicContact CG1-CG1 4.38Å; I61-I63 HydrophobicContact CG2-CD1 4.31Å; I63-I70 HydrophobicContact CG2-CD1 4.01Å; I63-I70 PolarHBondContact O-N 2.98Å; I63-K71 HydrophobicContact CD1-CB 4.26Å; I63-K71 WeakPolarHBondContact CD1-O 3.4Å; I63-K71 PolarHBondContact N-O 3.13Å; I63-K71 PolarHBondContact O-N 3.34Å; I63-V73 HydrophobicContact CD1-CG2 4.37Å; I63-L111 HydrophobicContact CD1-CD1 3.51Å; I63-L111 HydrophobicContact CD1-CD2 4.35Å; I63-L111 HydrophobicContact CG1-CD1 3.81Å; I63-L111 HydrophobicContact CG1-CD2 4.39Å |
| 64 | F | 93.6 | Very high | 82.5 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.8 | 178.9 | -57.9 | -97.6 | 0 | 0 | 0 | 110.8 | V16 E37 L38 K62 K68 F69 Y416 M432 | V16-F64 HydrophobicContact CG1-CE1 4.15Å; V16-F64 HydrophobicContact CG1-CZ 3.84Å; E37-F64 WeakPolarHBondContact CA-O 3.33Å; L38-F64 HydrophobicContact CB-CB 4.22Å; L38-F64 HydrophobicContact CD2-CB 4.24Å; L38-F64 HydrophobicContact CD2-CD2 3.98Å; L38-F64 HydrophobicContact CD2-CG 4.34Å; L38-F64 HydrophobicContact CG-CD2 4.34Å; L38-F64 PolarHBondContact N-O 2.9Å; L38-F64 PolarHBondContact O-N 2.71Å; K62-F64 HydrophobicContact CB-CE2 3.71Å; K62-F64 HydrophobicContact CB-CZ 4.22Å; K62-F64 HydrophobicContact CD-CZ 4.41Å; F64-K68 WeakPolarHBondContact CA-O 3.29Å; F64-F69 HydrophobicContact CD1-CB 3.93Å; F64-F69 HydrophobicContact CD1-CD2 4.34Å; F64-F69 HydrophobicContact CE1-CB 3.82Å; F64-F69 AromaticContact CE1-CD2 3.94Å; F64-F69 HydrophobicContact CE1-CD2 3.94Å; F64-F69 HydrophobicContact CE1-CG 4.36Å; F64-F69 HydrophobicContact CZ-CD2 4.07Å; F64-Y416 WeakPolarHBondContact CB-OH 3.14Å; F64-M432 HydrophobicContact CD1-CE 4.22Å; F64-M432 HydrophobicContact CD1-SD 4.48Å; F64-M432 HydrophobicContact CE1-CE 4.28Å; F64-M432 HydrophobicContact CE1-SD 4.4Å; F64-M432 HydrophobicContact CZ-SD 4.49Å |
| 65 | K | 90.5 | Very high | 84 | Confident | 62 Ų | 62 | 55 Ų | 55 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.2 | 173 | -179.4 | 172.3 | -165.2 | 140.9 | 0 | 110 | S33 T35 E37 T67 K68 I70 Y416 | S33-K65 PolarHBondContact OG-NZ 3.36Å; T35-K65 WeakPolarHBondContact OG1-CE 3.22Å; T35-K65 PolarHBondContact OG1-NZ 2.99Å; E37-K65 HydrophobicContact CG-CB 4.31Å; E37-K65 HydrophobicContact CG-CD 4.46Å; E37-K65 IonicContact OE1-NZ 3.61Å; E37-K65 PolarHBondContact OE1-NZ 3.18Å; K65-T67 PolarHBondContact O-N 2.92Å; K65-K68 PolarHBondContact N-O 3.42Å; K65-K68 PolarHBondContact O-N 2.88Å; K65-I70 HydrophobicContact CB-CD1 3.16Å; K65-I70 HydrophobicContact CB-CG1 3.79Å; K65-I70 HydrophobicContact CD-CD1 4.04Å; K65-I70 HydrophobicContact CG-CD1 4.26Å; K65-Y416 WeakPolarHBondContact CA-OH 3.38Å; K65-Y416 PolarHBondContact N-OH 2.75Å |
| 66 | G | 87.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -122.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y416 | G66-Y416 PolarHBondContact N-OH 2.94Å; G66-Y416 WeakPolarHBondContact O-CE1 3.38Å; G66-Y416 VanDerWaalsContact O-CZ 3.29Å; G66-Y416 PolarHBondContact O-OH 3.03Å |
| 67 | T | 84.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.4 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | K11 K65 | K11-T67 HydrophobicContact CB-CG2 4.13Å; K11-T67 HydrophobicContact CD-CG2 4.27Å; K11-T67 WeakPolarHBondContact CD-O 3.45Å; K11-T67 WeakPolarHBondContact CE-O 3.46Å; K11-T67 HydrophobicContact CG-CG2 4.41Å; K11-T67 PolarHBondContact NZ-O 3.34Å; K65-T67 PolarHBondContact O-N 2.92Å |
| 68 | K | 88 | Confident | 86.9 | Confident | 156 Ų | 156 | 58.4 Ų | 58.4 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.5 | -171.5 | -64.2 | -176 | -179.5 | -179.1 | 0 | 111.9 | F64 K65 | F64-K68 WeakPolarHBondContact CA-O 3.29Å; K65-K68 PolarHBondContact N-O 3.42Å; K65-K68 PolarHBondContact O-N 2.88Å |
| 69 | F | 88.7 | Confident | 87.8 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 132.2 | 162.6 | 168.3 | -100.5 | 0 | 0 | 0 | 108.8 | K62 F64 K71 E72 | K62-F69 HydrophobicContact CB-CE2 4.06Å; K62-F69 HydrophobicContact CD-CE2 4.35Å; K62-F69 HydrophobicContact CG-CE2 3.98Å; F64-F69 HydrophobicContact CD1-CB 3.93Å; F64-F69 HydrophobicContact CD1-CD2 4.34Å; F64-F69 HydrophobicContact CE1-CB 3.82Å; F64-F69 AromaticContact CE1-CD2 3.94Å; F64-F69 HydrophobicContact CE1-CD2 3.94Å; F64-F69 HydrophobicContact CE1-CG 4.36Å; F64-F69 HydrophobicContact CZ-CD2 4.07Å; F69-K71 WeakPolarHBondContact CE2-O 3.33Å; F69-E72 HydrophobicContact CE2-CB 4.02Å; F69-E72 HydrophobicContact CZ-CB 3.56Å |
| 70 | I | 87.5 | Confident | 88.1 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -55.2 | -177.4 | -55.4 | 167.4 | 0 | 0 | 0 | 110.8 | E37 I63 K65 | E37-I70 HydrophobicContact CG-CD1 4.19Å; I63-I70 HydrophobicContact CG2-CD1 4.01Å; I63-I70 PolarHBondContact O-N 2.98Å; K65-I70 HydrophobicContact CB-CD1 3.16Å; K65-I70 HydrophobicContact CB-CG1 3.79Å; K65-I70 HydrophobicContact CD-CD1 4.04Å; K65-I70 HydrophobicContact CG-CD1 4.26Å |
| 71 | K | 88 | Confident | 88.4 | Confident | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 148.5 | -165.3 | -172.8 | 173.4 | -177.6 | -176.6 | 0 | 110.2 | I63 F69 V73 L111 | I63-K71 HydrophobicContact CD1-CB 4.26Å; I63-K71 WeakPolarHBondContact CD1-O 3.4Å; I63-K71 PolarHBondContact N-O 3.13Å; I63-K71 PolarHBondContact O-N 3.34Å; F69-K71 WeakPolarHBondContact CE2-O 3.33Å; K71-V73 HydrophobicContact CD-CG2 4.43Å; K71-V73 HydrophobicContact CG-CG2 4.4Å; K71-L111 HydrophobicContact CD-CD1 4.19Å |
| 72 | E | 89.6 | Confident | 88.5 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140 | 168.8 | 171.3 | 177.9 | 131.5 | 0 | 0 | 108.7 | K60 I61 K62 F69 | K60-E72 HydrophobicContact CB-CG 3.93Å; K60-E72 HydrophobicContact CD-CG 4.37Å; K60-E72 WeakPolarHBondContact CD-OE1 3.31Å; K60-E72 WeakPolarHBondContact CE-OE1 3.41Å; K60-E72 HydrophobicContact CG-CG 4Å; K60-E72 WeakPolarHBondContact CG-OE1 3.37Å; K60-E72 IonicContact NZ-OE1 3.09Å; K60-E72 PolarHBondContact NZ-OE1 2.89Å; I61-E72 CarbonylContact O-C 3.57Å; I61-E72 WeakPolarHBondContact O-CA 3.43Å; K62-E72 WeakPolarHBondContact CE-OE2 3.4Å; K62-E72 HydrophobicContact CG-CB 4.4Å; K62-E72 HydrophobicContact CG-CG 4.34Å; F69-E72 HydrophobicContact CE2-CB 4.02Å; F69-E72 HydrophobicContact CZ-CB 3.56Å |
| 73 | V | 87.8 | Confident | 88.6 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.7 | 175.9 | -177 | 0 | 0 | 0 | 0 | 107.6 | I61 I63 K71 | I61-V73 HydrophobicContact CB-CB 4.43Å; I61-V73 PolarHBondContact N-O 3.24Å; I61-V73 PolarHBondContact O-N 3.33Å; I63-V73 HydrophobicContact CD1-CG2 4.37Å; K71-V73 HydrophobicContact CD-CG2 4.43Å; K71-V73 HydrophobicContact CG-CG2 4.4Å |
| 74 | P | 83.9 | Confident | 88.7 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 144.7 | 175.9 | 28.9 | -34.2 | 0 | 0 | 0 | 110.1 | ||
| 75 | Y | 80.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 135 | -174.5 | -161.3 | -91.1 | 0 | 0 | 0 | 110.3 | F59 I61 E77 I99 A101 Y106 Y108 | F59-Y75 CarbonylContact C-O 3.56Å; F59-Y75 WeakPolarHBondContact CA-O 3.36Å; F59-Y75 WeakPolarHBondContact CB-O 3.33Å; F59-Y75 PolarHBondContact N-O 2.91Å; F59-Y75 CarbonylContact O-C 3.47Å; F59-Y75 WeakPolarHBondContact O-CA 3.41Å; F59-Y75 PolarHBondContact O-N 3.45Å; I61-Y75 HydrophobicContact CD1-CG 4.49Å; I61-Y75 HydrophobicContact CG1-CD2 4.18Å; I61-Y75 HydrophobicContact CG1-CG 4.27Å; Y75-E77 WeakPolarHBondContact CD1-O 2.97Å; Y75-E77 HydrophobicContact CE1-CB 4.46Å; Y75-E77 WeakPolarHBondContact CE1-O 3.42Å; Y75-I99 HydrophobicContact CD2-CD1 4.31Å; Y75-I99 HydrophobicContact CE1-CG2 3.99Å; Y75-I99 HydrophobicContact CE2-CB 4.3Å; Y75-I99 HydrophobicContact CE2-CD1 3.93Å; Y75-I99 HydrophobicContact CE2-CG2 3.94Å; Y75-I99 VanDerWaalsContact CZ-CG2 3.47Å; Y75-I99 WeakPolarHBondContact OH-CG2 3.27Å; Y75-A101 HydrophobicContact CE1-CB 3.74Å; Y75-Y106 AromaticContact CZ-CD2 3.97Å; Y75-Y106 WeakPolarHBondContact OH-CD2 3.37Å; Y75-Y106 WeakPolarHBondContact OH-CE2 3.36Å; Y75-Y108 HydrophobicContact CE2-CE2 4.07Å; Y75-Y108 WeakPolarHBondContact CE2-OH 3.35Å |
| 76 | F | 71.3 | Confident | 88.5 | Confident | 169 Ų | 169 | 53.6 Ų | 53.6 | 74% | 0.741 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -91 | -25.3 | -162.7 | -64.4 | -73.4 | 0 | 0 | 0 | 114.8 | ||
| 77 | E | 84.3 | Confident | 88.3 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -121.3 | 151.5 | -174.8 | -71.2 | -179.3 | -166.8 | 0 | 0 | 111.2 | F59 Y75 P79 A101 G102 | F59-E77 WeakPolarHBondContact CD2-O 3.45Å; Y75-E77 WeakPolarHBondContact CD1-O 2.97Å; Y75-E77 HydrophobicContact CE1-CB 4.46Å; Y75-E77 WeakPolarHBondContact CE1-O 3.42Å; E77-P79 WeakPolarHBondContact O-CD 3.47Å; E77-A101 HydrophobicContact CB-CB 3.73Å; E77-G102 WeakPolarHBondContact OE2-CA 3.45Å; E77-G102 PolarHBondContact OE2-N 3.27Å |
| 78 | A | 88.9 | Confident | 87.8 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | trans | -65.5 | 117.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F43 F59 S80 | F43-A78 HydrophobicContact CE1-CB 4.26Å; F59-A78 HydrophobicContact CE1-CB 3.85Å; F59-A78 HydrophobicContact CE2-CB 3.91Å; F59-A78 VanDerWaalsContact CE2-N 3.26Å; F59-A78 HydrophobicContact CZ-CB 3.5Å; A78-S80 PolarHBondContact O-N 3.32Å | ||
| 79 | P | 93.9 | Very high | 86.7 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.2 | -179.9 | 26.8 | -29.6 | 0 | 0 | 0 | 110.8 | C24 A41 F43 E77 I82 I99 A100 | C24-P79 PolarHBondContact SG-O 3.37Å; A41-P79 HydrophobicContact CB-CB 4.45Å; A41-P79 HydrophobicContact CB-CG 3.34Å; F43-P79 HydrophobicContact CE1-CG 4.47Å; F43-P79 HydrophobicContact CE2-CG 4.17Å; F43-P79 HydrophobicContact CZ-CG 3.67Å; E77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-I82 HydrophobicContact CB-CG1 4.41Å; P79-I99 HydrophobicContact CB-CG2 3.78Å; P79-A100 CarbonylContact C-O 3.51Å; P79-A100 VanDerWaalsContact CA-O 3.27Å; P79-A100 WeakPolarHBondContact CA-O 3.42Å |
| 80 | S | 93.8 | Very high | 85.1 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -23.9 | 173.3 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | Q23 A78 A100 V192 | Q23-S80 WeakPolarHBondContact CG-O 3.29Å; Q23-S80 PolarHBondContact NE2-O 3.34Å; A78-S80 PolarHBondContact O-N 3.32Å; S80-A100 PolarHBondContact N-O 3.04Å; S80-V192 WeakPolarHBondContact CB-O 3.5Å; S80-V192 PolarHBondContact OG-O 2.85Å |
| 81 | G | 95.2 | Very high | 83.5 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 152 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q23 A100 | Q23-G81 WeakPolarHBondContact O-CA 3.48Å; G81-A100 PolarHBondContact O-N 3.15Å |
| 82 | I | 95.8 | Very high | 82.2 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.5 | 179 | -59.7 | -175.1 | 0 | 0 | 0 | 109.2 | Q23 I39 A41 I61 P79 L97 A98 I99 | Q23-I82 PolarHBondContact O-N 3.06Å; I39-I82 HydrophobicContact CG2-CG2 4.47Å; A41-I82 HydrophobicContact CB-CD1 3.66Å; I61-I82 HydrophobicContact CD1-CD1 3.67Å; P79-I82 HydrophobicContact CB-CG1 4.41Å; I82-L97 HydrophobicContact CG2-CD1 3.45Å; I82-L97 VanDerWaalsContact CG2-CD1 3.45Å; I82-L97 HydrophobicContact CG2-CD2 4.39Å; I82-L97 HydrophobicContact CG2-CG 4.08Å; I82-A98 WeakPolarHBondContact CA-O 3.26Å; I82-I99 HydrophobicContact CD1-CG1 4.4Å; I82-I99 HydrophobicContact CD1-CG2 4.44Å; I82-I99 HydrophobicContact CG1-CG1 4.2Å; I82-I99 HydrophobicContact CG1-CG2 4.12Å; I82-I99 HydrophobicContact CG2-CG1 4.31Å |
| 83 | I | 95.4 | Very high | 81.1 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.3 | 179.5 | -159.1 | 166.9 | 0 | 0 | 0 | 112.5 | A98 L195 K197 L211 | I83-A98 HydrophobicContact CG2-CB 4.08Å; I83-A98 PolarHBondContact N-O 3.4Å; I83-A98 PolarHBondContact O-N 2.53Å; I83-L195 HydrophobicContact CB-CD2 4.41Å; I83-L195 HydrophobicContact CG2-CD2 3.66Å; I83-L195 HydrophobicContact CG2-CG 3.98Å; I83-K197 HydrophobicContact CD1-CB 4.01Å; I83-K197 HydrophobicContact CD1-CD 3.85Å; I83-K197 HydrophobicContact CD1-CG 3.64Å; I83-K197 HydrophobicContact CG1-CD 4.08Å; I83-K197 HydrophobicContact CG1-CG 4.41Å; I83-L211 HydrophobicContact CG2-CD2 4.06Å |
| 84 | P | 94 | Very high | 80.7 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.6 | 170.1 | 32.6 | -30.3 | 0 | 0 | 0 | 109 | C26 L27 L95 D96 K197 | C26-P84 HydrophobicContact CB-CG 4.26Å; L27-P84 WeakPolarHBondContact O-CG 3.37Å; P84-L95 HydrophobicContact CB-CB 4.11Å; P84-L95 HydrophobicContact CB-CD1 3.91Å; P84-L95 HydrophobicContact CG-CD1 4.45Å; P84-D96 CarbonylContact C-O 3.51Å; P84-D96 VanDerWaalsContact CA-O 3.28Å; P84-D96 WeakPolarHBondContact CA-O 3.42Å; P84-K197 WeakPolarHBondContact O-CD 3.39Å; P84-K197 WeakPolarHBondContact O-CE 3.11Å; P84-K197 PolarHBondContact O-NZ 3.24Å |
| 85 | F | 92.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.7 | -173.4 | 78.2 | -69.1 | 0 | 0 | 0 | 111.5 | C87 D96 A98 V107 K197 D209 L211 C225 | F85-C87 HydrophobicContact CE2-CB 3.85Å; F85-C87 HydrophobicContact CZ-CB 4.17Å; F85-D96 HydrophobicContact CD1-CB 4.38Å; F85-D96 VanDerWaalsContact CD1-O 3.3Å; F85-D96 WeakPolarHBondContact CD1-O 3.32Å; F85-D96 HydrophobicContact CE1-CB 3.87Å; F85-D96 HydrophobicContact CZ-CB 4.27Å; F85-D96 PolarHBondContact N-O 2.88Å; F85-D96 PolarHBondContact O-N 3.18Å; F85-A98 HydrophobicContact CD1-CB 3.83Å; F85-A98 HydrophobicContact CE1-CB 3.64Å; F85-A98 HydrophobicContact CZ-CB 4.47Å; F85-V107 HydrophobicContact CE1-CG1 4.01Å; F85-V107 HydrophobicContact CE1-CG2 4.49Å; F85-V107 HydrophobicContact CZ-CG1 3.83Å; F85-V107 HydrophobicContact CZ-CG2 4.14Å; F85-K197 HydrophobicContact CB-CD 3.64Å; F85-D209 WeakPolarHBondContact CA-OD2 3.33Å; F85-D209 HydrophobicContact CB-CB 4.07Å; F85-D209 HydrophobicContact CD2-CB 4.18Å; F85-L211 HydrophobicContact CB-CD2 4.33Å; F85-L211 HydrophobicContact CD1-CD2 4.26Å; F85-L211 HydrophobicContact CD2-CD2 3.99Å; F85-L211 HydrophobicContact CD2-CG 4.36Å; F85-L211 HydrophobicContact CE2-CD1 4.4Å; F85-L211 HydrophobicContact CE2-CD2 4.37Å; F85-L211 HydrophobicContact CE2-CG 4.31Å; F85-L211 HydrophobicContact CG-CD2 3.93Å; F85-L211 HydrophobicContact CZ-CD1 4.29Å; F85-C225 HydrophobicContact CE2-CB 3.73Å; F85-C225 HydrophobicContact CZ-CB 4.13Å |
| 86 | K | 89.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -86.8 | 115 | 176.2 | -65.6 | -177.8 | -178.4 | -171.8 | 0 | 109.1 | L95 G204 S207 W208 D209 | K86-L95 HydrophobicContact CG-CD2 3.55Å; K86-G204 PolarHBondContact NZ-O 2.85Å; K86-S207 WeakPolarHBondContact CD-O 3.38Å; K86-W208 WeakPolarHBondContact O-CA 3.44Å; K86-W208 WeakPolarHBondContact O-CB 3.46Å; K86-D209 PolarHBondContact N-OD2 2.75Å; K86-D209 PolarHBondContact O-N 3.21Å | ||
| 87 | C | 83 | Confident | 82.4 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.088 | 26% | 0.255 | C | S | . | . | trans | -101.4 | 142.6 | 165.3 | -159.2 | 0 | 0 | 0 | 0 | 110.1 | F85 D96 C225 | F85-C87 HydrophobicContact CE2-CB 3.85Å; F85-C87 HydrophobicContact CZ-CB 4.17Å; C87-D96 VanDerWaalsContact CB-OD2 3.25Å; C87-D96 WeakPolarHBondContact CB-OD2 3.5Å; C87-C225 VanDerWaalsContact CA-SG 3.55Å; C87-C225 HydrophobicContact CB-CB 4.31Å; C87-C225 WeakPolarHBondContact CB-SG 3.39Å; C87-C225 WeakPolarHBondContact SG-CB 3.3Å; C87-C225 CovalentContact SG-SG 2.06Å; C87-C225 PolarHBondContact SG-SG 2.81Å | ||
| 88 | K | 73.3 | Confident | 82.9 | Confident | 123 Ų | 123 | 43.8 Ų | 43.8 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 139.2 | -178.7 | -168.8 | -177 | -177.1 | 177.7 | 0 | 110.2 | W208 V226 | K88-W208 HydrophobicContact CB-CB 4.19Å; K88-W208 HydrophobicContact CB-CD2 3.98Å; K88-W208 HydrophobicContact CB-CE3 4.18Å; K88-W208 HydrophobicContact CB-CG 4.01Å; K88-W208 HydrophobicContact CD-CD2 4.21Å; K88-W208 HydrophobicContact CD-CE3 3.93Å; K88-W208 HydrophobicContact CD-CH2 4.03Å; K88-W208 HydrophobicContact CD-CZ2 4.25Å; K88-W208 HydrophobicContact CD-CZ3 3.86Å; K88-W208 HydrophobicContact CG-CD2 4.39Å; K88-W208 HydrophobicContact CG-CE3 4.12Å; K88-W208 HydrophobicContact CG-CZ3 4.47Å; K88-V226 HydrophobicContact CB-CB 4.37Å; K88-V226 HydrophobicContact CB-CG1 4.04Å; K88-V226 HydrophobicContact CB-CG2 3.38Å; K88-V226 HydrophobicContact CD-CG1 4.01Å |
| 89 | G | 64.3 | Low | 83.3 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 62% | 0.619 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | 5.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R109 | G89-R109 PolarHBondContact O-NH1 3.12Š|
| 90 | N | 55 | Low | 83.3 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | trans | -78.5 | 128.9 | 158.4 | -103 | -5.2 | 0 | 0 | 0 | 109.8 | C94 D96 R109 | N90-C94 PolarHBondContact ND2-O 3.4Å; N90-D96 PolarHBondContact ND2-OD1 3.45Å; N90-R109 VanDerWaalsContact OD1-CD 3.29Å; N90-R109 WeakPolarHBondContact OD1-CD 3.15Å; N90-R109 PolarHBondContact OD1-NH1 3.4Å | ||
| 91 | D | 54.7 | Low | 83.3 | Confident | 139 Ų | 139 | 40 Ų | 40 | 74% | 0.743 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -51.4 | 153.7 | 155.7 | -66 | -48.7 | 0 | 0 | 0 | 109.6 | ||
| 92 | K | 60.2 | Low | 83.1 | Confident | 174 Ų | 174 | 40.7 Ų | 40.7 | 76% | 0.757 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 5.6 | 118.3 | 170.5 | -65.5 | 178.2 | 179.1 | 176.5 | 0 | 116.5 | C94 | K92-C94 PolarHBondContact O-N 2.58Š|
| 93 | N | 67.1 | Low | 82.9 | Confident | 136 Ų | 136 | 41 Ų | 41 | 73% | 0.727 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | -9.6 | 160.8 | -72.6 | -11.4 | 0 | 0 | 0 | 120.8 | ||
| 94 | C | 77.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 131.2 | -177.8 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | I30 D32 N90 K92 | I30-C94 PolarHBondContact O-SG 3.12Å; D32-C94 HydrophobicContact CB-CB 3.98Å; N90-C94 PolarHBondContact ND2-O 3.4Å; K92-C94 PolarHBondContact O-N 2.58Å |
| 95 | L | 88.2 | Confident | 82.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -92.6 | 140.5 | 175 | -59.4 | 177 | 0 | 0 | 0 | 110.5 | D29 P84 K86 | D29-L95 PolarHBondContact O-N 2.92Å; P84-L95 HydrophobicContact CB-CB 4.11Å; P84-L95 HydrophobicContact CB-CD1 3.91Å; P84-L95 HydrophobicContact CG-CD1 4.45Å; K86-L95 HydrophobicContact CG-CD2 3.55Å |
| 96 | D | 91.4 | Very high | 82.9 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 157.8 | 166.1 | -64.5 | -30 | 0 | 0 | 0 | 109.2 | P84 F85 C87 N90 V107 R109 | P84-D96 CarbonylContact C-O 3.51Å; P84-D96 VanDerWaalsContact CA-O 3.28Å; P84-D96 WeakPolarHBondContact CA-O 3.42Å; F85-D96 HydrophobicContact CD1-CB 4.38Å; F85-D96 VanDerWaalsContact CD1-O 3.3Å; F85-D96 WeakPolarHBondContact CD1-O 3.32Å; F85-D96 HydrophobicContact CE1-CB 3.87Å; F85-D96 HydrophobicContact CZ-CB 4.27Å; F85-D96 PolarHBondContact N-O 2.88Å; F85-D96 PolarHBondContact O-N 3.18Å; C87-D96 VanDerWaalsContact CB-OD2 3.25Å; C87-D96 WeakPolarHBondContact CB-OD2 3.5Å; N90-D96 PolarHBondContact ND2-OD1 3.45Å; D96-V107 HydrophobicContact CB-CG1 4.31Å; D96-R109 VanDerWaalsContact OD1-CG 3.26Å; D96-R109 WeakPolarHBondContact OD1-CG 3.36Å |
| 97 | L | 93.2 | Very high | 83 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.4 | -177.2 | -174.5 | 71.4 | 0 | 0 | 0 | 109.8 | I30 I39 I82 I99 V107 Y108 L111 | I30-L97 HydrophobicContact CD1-CB 4.16Å; I30-L97 HydrophobicContact CD1-CD1 4.06Å; I30-L97 HydrophobicContact CD1-CD2 4.24Å; I30-L97 HydrophobicContact CD1-CG 4.4Å; I39-L97 HydrophobicContact CG2-CD1 4.46Å; I39-L97 HydrophobicContact CG2-CD2 3.97Å; I82-L97 HydrophobicContact CG2-CD1 3.45Å; I82-L97 VanDerWaalsContact CG2-CD1 3.45Å; I82-L97 HydrophobicContact CG2-CD2 4.39Å; I82-L97 HydrophobicContact CG2-CG 4.08Å; L97-I99 HydrophobicContact CD2-CD1 4.06Å; L97-I99 HydrophobicContact CD2-CG1 4.19Å; L97-I99 HydrophobicContact CG-CG1 4.21Å; L97-V107 CarbonylContact O-C 3.54Å; L97-V107 WeakPolarHBondContact O-CA 3.48Å; L97-Y108 PolarHBondContact N-O 3.42Å; L97-Y108 PolarHBondContact O-N 3.41Å; L97-L111 HydrophobicContact CD2-CD2 4.19Å |
| 98 | A | 94.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I82 I83 F85 I105 Y106 L195 L211 | I82-A98 WeakPolarHBondContact CA-O 3.26Å; I83-A98 HydrophobicContact CG2-CB 4.08Å; I83-A98 PolarHBondContact N-O 3.4Å; I83-A98 PolarHBondContact O-N 2.53Å; F85-A98 HydrophobicContact CD1-CB 3.83Å; F85-A98 HydrophobicContact CE1-CB 3.64Å; F85-A98 HydrophobicContact CZ-CB 4.47Å; A98-I105 HydrophobicContact CB-CG2 4.28Å; A98-Y106 CarbonylContact C-O 3.47Å; A98-Y106 WeakPolarHBondContact CA-O 3.34Å; A98-L195 HydrophobicContact CB-CD2 4.28Å; A98-L211 HydrophobicContact CB-CD1 3.64Å; A98-L211 HydrophobicContact CB-CD2 4.04Å |
| 99 | I | 95.6 | Very high | 84 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.7 | 174.9 | -54.1 | -179.7 | 0 | 0 | 0 | 107.5 | I61 Y75 P79 I82 L97 Y106 Y108 | I61-I99 HydrophobicContact CD1-CD1 4.01Å; I61-I99 HydrophobicContact CG1-CD1 3.88Å; Y75-I99 HydrophobicContact CD2-CD1 4.31Å; Y75-I99 HydrophobicContact CE1-CG2 3.99Å; Y75-I99 HydrophobicContact CE2-CB 4.3Å; Y75-I99 HydrophobicContact CE2-CD1 3.93Å; Y75-I99 HydrophobicContact CE2-CG2 3.94Å; Y75-I99 VanDerWaalsContact CZ-CG2 3.47Å; Y75-I99 WeakPolarHBondContact OH-CG2 3.27Å; P79-I99 HydrophobicContact CB-CG2 3.78Å; I82-I99 HydrophobicContact CD1-CG1 4.4Å; I82-I99 HydrophobicContact CD1-CG2 4.44Å; I82-I99 HydrophobicContact CG1-CG1 4.2Å; I82-I99 HydrophobicContact CG1-CG2 4.12Å; I82-I99 HydrophobicContact CG2-CG1 4.31Å; L97-I99 HydrophobicContact CD2-CD1 4.06Å; L97-I99 HydrophobicContact CD2-CG1 4.19Å; L97-I99 HydrophobicContact CG-CG1 4.21Å; I99-Y106 PolarHBondContact N-O 3.41Å; I99-Y106 PolarHBondContact O-N 2.75Å; I99-Y108 HydrophobicContact CD1-CD2 3.99Å; I99-Y108 HydrophobicContact CD1-CE2 3.78Å; I99-Y108 HydrophobicContact CG1-CD2 4.3Å; I99-Y108 HydrophobicContact CG1-CE2 4.3Å |
| 100 | A | 95.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P79 S80 G81 V192 L195 | P79-A100 CarbonylContact C-O 3.51Å; P79-A100 VanDerWaalsContact CA-O 3.27Å; P79-A100 WeakPolarHBondContact CA-O 3.42Å; S80-A100 PolarHBondContact N-O 3.04Å; G81-A100 PolarHBondContact O-N 3.15Å; A100-V192 HydrophobicContact CB-CB 3.99Å; A100-V192 HydrophobicContact CB-CG1 3.58Å; A100-V192 HydrophobicContact CB-CG2 4.12Å; A100-L195 HydrophobicContact CB-CB 4.14Å; A100-L195 HydrophobicContact CB-CD2 3.9Å; A100-L195 HydrophobicContact CB-CG 4.43Å |
| 101 | A | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 134.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y75 E77 F104 Y106 | Y75-A101 HydrophobicContact CE1-CB 3.74Å; E77-A101 HydrophobicContact CB-CB 3.73Å; A101-F104 PolarHBondContact N-O 3.42Å; A101-F104 PolarHBondContact O-N 3.42Å; A101-Y106 HydrophobicContact CB-CE2 4.37Å |
| 102 | G | 90.9 | Very high | 87.8 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 19% | 0.186 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -135.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E77 F104 V191 V192 | E77-G102 WeakPolarHBondContact OE2-CA 3.45Å; E77-G102 PolarHBondContact OE2-N 3.27Å; G102-F104 PolarHBondContact O-N 2.81Å; G102-V191 CarbonylContact O-C 3.51Å; G102-V191 VanDerWaalsContact O-CA 3.27Å; G102-V191 WeakPolarHBondContact O-CA 3.12Å; G102-V191 WeakPolarHBondContact O-CB 3.32Å; G102-V192 PolarHBondContact O-N 3.24Å |
| 103 | P | 92.1 | Very high | 89 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 13.5 | 176.9 | 35.8 | -35.7 | 0 | 0 | 0 | 113.6 | L119 Q189 T190 | P103-L119 WeakPolarHBondContact O-CB 3.29Å; P103-L119 PolarHBondContact O-N 3.45Å; P103-Q189 HydrophobicContact CB-CB 4.27Å; P103-T190 VanDerWaalsContact CA-O 3.29Å; P103-T190 WeakPolarHBondContact CA-O 3.47Å; P103-T190 WeakPolarHBondContact CB-O 3.48Å |
| 104 | F | 93.6 | Very high | 89.9 | Confident | 29 Ų | 29 | 32 Ų | 32 | 13% | 0.127 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.1 | -166.6 | -52.5 | -61.7 | 0 | 0 | 0 | 113.3 | A101 G102 Y106 K116 Y117 T118 | A101-F104 PolarHBondContact N-O 3.42Å; A101-F104 PolarHBondContact O-N 3.42Å; G102-F104 PolarHBondContact O-N 2.81Å; F104-Y106 HydrophobicContact CB-CD2 4.01Å; F104-Y106 HydrophobicContact CB-CE2 3.41Å; F104-Y106 VanDerWaalsContact CB-CE2 3.41Å; F104-Y106 HydrophobicContact CD2-CE2 4.19Å; F104-Y106 AromaticContact CD2-CZ 3.95Å; F104-Y106 WeakPolarHBondContact CD2-OH 3.24Å; F104-Y106 HydrophobicContact CG-CE2 4.21Å; F104-K116 HydrophobicContact CB-CG 4.5Å; F104-K116 HydrophobicContact CD1-CD 4.37Å; F104-K116 HydrophobicContact CD1-CG 4.49Å; F104-K116 VanDerWaalsContact CE2-NZ 3.31Å; F104-Y117 CarbonylContact C-O 3.58Å; F104-Y117 VanDerWaalsContact CA-O 3.3Å; F104-Y117 WeakPolarHBondContact CA-O 3.37Å; F104-T118 HydrophobicContact CD1-CG2 3.89Å; F104-T118 WeakPolarHBondContact CD1-OG1 3.23Å; F104-T118 HydrophobicContact CE1-CG2 3.63Å; F104-T118 WeakPolarHBondContact CE1-OG1 3.34Å |
| 105 | I | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.8 | 167.2 | -51.5 | 171.4 | 0 | 0 | 0 | 107.5 | A98 Y117 V192 L211 V213 | A98-I105 HydrophobicContact CB-CG2 4.28Å; I105-Y117 HydrophobicContact CD1-CD1 3.89Å; I105-Y117 HydrophobicContact CG1-CD1 4.33Å; I105-Y117 PolarHBondContact N-O 3.29Å; I105-Y117 PolarHBondContact O-N 3.46Å; I105-V192 HydrophobicContact CG1-CG2 4.34Å; I105-L211 HydrophobicContact CG2-CD1 3.88Å; I105-V213 HydrophobicContact CD1-CB 4.38Å; I105-V213 HydrophobicContact CD1-CG1 4.19Å; I105-V213 HydrophobicContact CD1-CG2 3.34Å |
| 106 | Y | 92.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.5 | -179.9 | -60.1 | -95.2 | 0 | 0 | 0 | 109 | Y75 A98 I99 A101 F104 K116 | Y75-Y106 AromaticContact CZ-CD2 3.97Å; Y75-Y106 WeakPolarHBondContact OH-CD2 3.37Å; Y75-Y106 WeakPolarHBondContact OH-CE2 3.36Å; A98-Y106 CarbonylContact C-O 3.47Å; A98-Y106 WeakPolarHBondContact CA-O 3.34Å; I99-Y106 PolarHBondContact N-O 3.41Å; I99-Y106 PolarHBondContact O-N 2.75Å; A101-Y106 HydrophobicContact CB-CE2 4.37Å; F104-Y106 HydrophobicContact CB-CD2 4.01Å; F104-Y106 HydrophobicContact CB-CE2 3.41Å; F104-Y106 VanDerWaalsContact CB-CE2 3.41Å; F104-Y106 HydrophobicContact CD2-CE2 4.19Å; F104-Y106 AromaticContact CD2-CZ 3.95Å; F104-Y106 WeakPolarHBondContact CD2-OH 3.24Å; F104-Y106 HydrophobicContact CG-CE2 4.21Å; Y106-K116 HydrophobicContact CD1-CB 4.3Å; Y106-K116 HydrophobicContact CD1-CD 4.26Å; Y106-K116 HydrophobicContact CD1-CG 4.03Å; Y106-K116 HydrophobicContact CE1-CD 3.64Å; Y106-K116 HydrophobicContact CE1-CG 3.87Å; Y106-K116 PolarHBondContact OH-NZ 2.86Å |
| 107 | V | 91.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.2 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | F85 D96 L97 Y114 Y115 | F85-V107 HydrophobicContact CE1-CG1 4.01Å; F85-V107 HydrophobicContact CE1-CG2 4.49Å; F85-V107 HydrophobicContact CZ-CG1 3.83Å; F85-V107 HydrophobicContact CZ-CG2 4.14Å; D96-V107 HydrophobicContact CB-CG1 4.31Å; L97-V107 CarbonylContact O-C 3.54Å; L97-V107 WeakPolarHBondContact O-CA 3.48Å; V107-Y114 HydrophobicContact CG1-CD1 4.11Å; V107-Y114 WeakPolarHBondContact O-CA 3.43Å; V107-Y114 WeakPolarHBondContact O-CB 3.38Å; V107-Y114 PolarHBondContact O-N 3.19Å; V107-Y115 PolarHBondContact N-O 3.09Å; V107-Y115 PolarHBondContact O-N 3.15Å; V107-Y115 VanDerWaalsContact O-N 3.08Å |
| 108 | Y | 89.4 | Confident | 90.3 | Very high | 30 Ų | 30 | 42 Ų | 42 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.1 | 177.9 | -67.6 | -101.1 | 0 | 0 | 0 | 110 | Y75 L97 I99 S112 | Y75-Y108 HydrophobicContact CE2-CE2 4.07Å; Y75-Y108 WeakPolarHBondContact CE2-OH 3.35Å; L97-Y108 PolarHBondContact N-O 3.42Å; L97-Y108 PolarHBondContact O-N 3.41Å; I99-Y108 HydrophobicContact CD1-CD2 3.99Å; I99-Y108 HydrophobicContact CD1-CE2 3.78Å; I99-Y108 HydrophobicContact CG1-CD2 4.3Å; I99-Y108 HydrophobicContact CG1-CE2 4.3Å; Y108-S112 CarbonylContact C-O 3.5Å; Y108-S112 VanDerWaalsContact CA-O 3.28Å; Y108-S112 WeakPolarHBondContact CA-O 3.35Å |
| 109 | R | 87.4 | Confident | 90.2 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.5 | 175.3 | -177.6 | 155.4 | 117.6 | 151.8 | -8.6 | 108.6 | G89 N90 D96 L111 S112 Y114 | G89-R109 PolarHBondContact O-NH1 3.12Å; N90-R109 VanDerWaalsContact OD1-CD 3.29Å; N90-R109 WeakPolarHBondContact OD1-CD 3.15Å; N90-R109 PolarHBondContact OD1-NH1 3.4Å; D96-R109 VanDerWaalsContact OD1-CG 3.26Å; D96-R109 WeakPolarHBondContact OD1-CG 3.36Å; R109-L111 PolarHBondContact O-N 3.48Å; R109-S112 PolarHBondContact N-O 2.92Å; R109-S112 PolarHBondContact O-N 3.24Å; R109-Y114 HydrophobicContact CB-CD2 4.46Å; R109-Y114 HydrophobicContact CB-CG 4.27Å |
| 110 | K | 84.9 | Confident | 89.9 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 47% | 0.47 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.8 | -171.2 | -58.4 | -177.1 | 177.2 | -175.4 | 0 | 112.9 | S112 | K110-S112 PolarHBondContact O-N 2.95Š|
| 111 | L | 82.8 | Confident | 89.4 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 11.8 | -174.5 | -54.9 | -179.6 | 0 | 0 | 0 | 116.4 | I30 F31 I63 K71 L97 R109 | I30-L111 HydrophobicContact CD1-CD2 4.35Å; I30-L111 HydrophobicContact CG2-CD2 4.17Å; I30-L111 HydrophobicContact CG2-CG 4.2Å; F31-L111 HydrophobicContact CE1-CD1 3.95Å; F31-L111 HydrophobicContact CE1-CG 4.11Å; F31-L111 HydrophobicContact CE2-CD1 4.28Å; F31-L111 HydrophobicContact CZ-CD1 3.36Å; F31-L111 HydrophobicContact CZ-CG 3.89Å; I63-L111 HydrophobicContact CD1-CD1 3.51Å; I63-L111 HydrophobicContact CD1-CD2 4.35Å; I63-L111 HydrophobicContact CG1-CD1 3.81Å; I63-L111 HydrophobicContact CG1-CD2 4.39Å; K71-L111 HydrophobicContact CD-CD1 4.19Å; L97-L111 HydrophobicContact CD2-CD2 4.19Å; R109-L111 PolarHBondContact O-N 3.48Å |
| 112 | S | 86.2 | Confident | 89.2 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.8 | 167 | -66 | 0 | 0 | 0 | 0 | 109.1 | Y108 R109 K110 Y114 | Y108-S112 CarbonylContact C-O 3.5Å; Y108-S112 VanDerWaalsContact CA-O 3.28Å; Y108-S112 WeakPolarHBondContact CA-O 3.35Å; R109-S112 PolarHBondContact N-O 2.92Å; R109-S112 PolarHBondContact O-N 3.24Å; K110-S112 PolarHBondContact O-N 2.95Å; S112-Y114 PolarHBondContact O-N 2.71Å; S112-Y114 VanDerWaalsContact O-N 3.13Å |
| 113 | S | 86.3 | Confident | 89.1 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 119.6 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 114 | Y | 85.6 | Confident | 88.8 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -52.2 | -177.3 | 178.3 | -109.8 | 0 | 0 | 0 | 110.9 | V107 R109 S112 | V107-Y114 HydrophobicContact CG1-CD1 4.11Å; V107-Y114 WeakPolarHBondContact O-CA 3.43Å; V107-Y114 WeakPolarHBondContact O-CB 3.38Å; V107-Y114 PolarHBondContact O-N 3.19Å; R109-Y114 HydrophobicContact CB-CD2 4.46Å; R109-Y114 HydrophobicContact CB-CG 4.27Å; S112-Y114 PolarHBondContact O-N 2.71Å; S112-Y114 VanDerWaalsContact O-N 3.13Å |
| 115 | Y | 86.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 154.8 | -176.4 | -173.5 | -99.8 | 0 | 0 | 0 | 111.9 | V107 Y223 H228 | V107-Y115 PolarHBondContact N-O 3.09Å; V107-Y115 PolarHBondContact O-N 3.15Å; V107-Y115 VanDerWaalsContact O-N 3.08Å; Y115-Y223 WeakPolarHBondContact CE1-OH 3.35Å; Y115-H228 AromaticContact CD1-CE1 3.96Å; Y115-H228 AromaticContact CD1-ND1 3.77Å; Y115-H228 AromaticContact CD2-CE1 3.61Å; Y115-H228 AromaticContact CD2-ND1 3.91Å; Y115-H228 AromaticContact CE1-CE1 3.99Å; Y115-H228 AromaticContact CE1-ND1 3.38Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.33Å; Y115-H228 AromaticContact CE2-CE1 3.64Å; Y115-H228 AromaticContact CE2-ND1 3.54Å; Y115-H228 AromaticContact CG-CE1 3.77Å; Y115-H228 AromaticContact CZ-CE1 3.83Å; Y115-H228 AromaticContact CZ-CG 3.86Å; Y115-H228 AromaticContact CZ-ND1 3.26Å; Y115-H228 VanDerWaalsContact CZ-ND1 3.26Å |
| 116 | K | 90.9 | Very high | 88.2 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 114.1 | 173.9 | 178.6 | -177.2 | 176.2 | 168.3 | 0 | 109 | F104 Y106 | F104-K116 HydrophobicContact CB-CG 4.5Å; F104-K116 HydrophobicContact CD1-CD 4.37Å; F104-K116 HydrophobicContact CD1-CG 4.49Å; F104-K116 VanDerWaalsContact CE2-NZ 3.31Å; Y106-K116 HydrophobicContact CD1-CB 4.3Å; Y106-K116 HydrophobicContact CD1-CD 4.26Å; Y106-K116 HydrophobicContact CD1-CG 4.03Å; Y106-K116 HydrophobicContact CE1-CD 3.64Å; Y106-K116 HydrophobicContact CE1-CG 3.87Å; Y106-K116 PolarHBondContact OH-NZ 2.86Å |
| 117 | Y | 90.9 | Very high | 88.1 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.6 | 169.7 | -179.8 | -110.1 | 0 | 0 | 0 | 109.8 | F104 I105 L119 Y223 | F104-Y117 CarbonylContact C-O 3.58Å; F104-Y117 VanDerWaalsContact CA-O 3.3Å; F104-Y117 WeakPolarHBondContact CA-O 3.37Å; I105-Y117 HydrophobicContact CD1-CD1 3.89Å; I105-Y117 HydrophobicContact CG1-CD1 4.33Å; I105-Y117 PolarHBondContact N-O 3.29Å; I105-Y117 PolarHBondContact O-N 3.46Å; Y117-L119 HydrophobicContact CE1-CD2 4.43Å; Y117-Y223 HydrophobicContact CD1-CD2 4.17Å; Y117-Y223 HydrophobicContact CD1-CE2 4.38Å; Y117-Y223 HydrophobicContact CD1-CG 4.31Å; Y117-Y223 AromaticContact CD2-CD2 3.63Å; Y117-Y223 HydrophobicContact CD2-CD2 3.63Å; Y117-Y223 AromaticContact CD2-CE2 3.18Å; Y117-Y223 HydrophobicContact CD2-CE2 3.18Å; Y117-Y223 HydrophobicContact CD2-CG 4.46Å; Y117-Y223 AromaticContact CD2-CZ 3.71Å; Y117-Y223 HydrophobicContact CE1-CD2 4.03Å; Y117-Y223 HydrophobicContact CE1-CG 4.31Å; Y117-Y223 AromaticContact CE2-CD2 3.47Å; Y117-Y223 HydrophobicContact CE2-CD2 3.47Å; Y117-Y223 VanDerWaalsContact CE2-CD2 3.47Å; Y117-Y223 AromaticContact CE2-CE2 3.41Å; Y117-Y223 HydrophobicContact CE2-CE2 3.41Å; Y117-Y223 VanDerWaalsContact CE2-CE2 3.41Å; Y117-Y223 HydrophobicContact CE2-CG 4.47Å; Y117-Y223 AromaticContact CG-CD2 3.96Å; Y117-Y223 HydrophobicContact CG-CD2 3.96Å; Y117-Y223 HydrophobicContact CG-CE1 4.3Å; Y117-Y223 AromaticContact CG-CE2 3.71Å; Y117-Y223 HydrophobicContact CG-CE2 3.71Å; Y117-Y223 HydrophobicContact CG-CG 4.36Å; Y117-Y223 AromaticContact CG-CZ 3.89Å; Y117-Y223 AromaticContact CZ-CD2 3.68Å |
| 118 | T | 92.4 | Very high | 88.1 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.1 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 108.4 | F104 | F104-T118 HydrophobicContact CD1-CG2 3.89Å; F104-T118 WeakPolarHBondContact CD1-OG1 3.23Å; F104-T118 HydrophobicContact CE1-CG2 3.63Å; F104-T118 WeakPolarHBondContact CE1-OG1 3.34Å |
| 119 | L | 92.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 151 | 175.2 | -77.7 | 161.4 | 0 | 0 | 0 | 110.9 | P103 Y117 S121 T190 V192 V213 T215 Y221 | P103-L119 WeakPolarHBondContact O-CB 3.29Å; P103-L119 PolarHBondContact O-N 3.45Å; Y117-L119 HydrophobicContact CE1-CD2 4.43Å; L119-S121 PolarHBondContact O-N 3.01Å; L119-T190 HydrophobicContact CB-CG2 4.1Å; L119-T190 HydrophobicContact CD1-CG2 4.08Å; L119-V192 HydrophobicContact CD1-CB 4.47Å; L119-V192 HydrophobicContact CD1-CG2 3.4Å; L119-V192 HydrophobicContact CG-CG2 4.31Å; L119-V213 HydrophobicContact CD2-CG1 4.31Å; L119-T215 HydrophobicContact CD1-CG2 4.17Å; L119-T215 HydrophobicContact CD2-CG2 3.91Å; L119-Y221 HydrophobicContact CD2-CD2 3.64Å; L119-Y221 HydrophobicContact CD2-CE2 4.09Å; L119-Y221 HydrophobicContact CD2-CG 4.41Å |
| 120 | P | 88.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 71 Ų | 71 | 26% | 0.26 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 136.5 | 175.8 | -25.5 | 35 | 0 | 0 | 0 | 111.9 | Y221 | P120-Y221 HydrophobicContact CG-CD1 4.43Å; P120-Y221 HydrophobicContact CG-CE1 3.9Å |
| 121 | S | 86.5 | Confident | 88.8 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 147.1 | 169.8 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | L119 | L119-S121 PolarHBondContact O-N 3.01Å |
| 122 | L | 88.7 | Confident | 89.4 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 156.8 | 177 | -60.7 | 174.9 | 0 | 0 | 0 | 109.5 | K188 S217 | L122-K188 HydrophobicContact CB-CB 4.12Å; L122-K188 HydrophobicContact CB-CD 4.18Å; L122-K188 HydrophobicContact CB-CG 4.06Å; L122-K188 PolarHBondContact N-O 2.67Å; L122-K188 WeakPolarHBondContact O-CB 3.22Å; L122-S217 VanDerWaalsContact CD1-CB 3.45Å |
| 123 | E | 87.7 | Confident | 89.7 | Confident | 176 Ų | 176 | 64.9 Ų | 64.9 | 82% | 0.822 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -73 | 128.6 | 171.4 | -64.2 | -170.9 | 162.3 | 0 | 0 | 110 | ||
| 124 | P | 85.8 | Confident | 90 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -68 | 162.7 | 173.8 | 29.4 | -33.6 | 0 | 0 | 0 | 110.7 | L126 F129 T160 L186 K188 | P124-L126 PolarHBondContact O-N 2.93Å; P124-F129 HydrophobicContact CG-CB 4.34Å; P124-F129 HydrophobicContact CG-CD2 3.97Å; P124-T160 HydrophobicContact CB-CG2 4.05Å; P124-L186 HydrophobicContact CB-CD2 3.87Å; P124-L186 HydrophobicContact CB-CG 4.33Å; P124-L186 HydrophobicContact CG-CD2 4.37Å; P124-K188 HydrophobicContact CB-CB 4.33Å |
| 125 | N | 87.6 | Confident | 90.4 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 132.8 | 172 | 177.9 | -57.7 | 0 | 0 | 0 | 109.5 | D127 E128 F129 | N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 3.44Å; N125-D127 WeakPolarHBondContact OD1-CB 3.37Å; N125-D127 PolarHBondContact OD1-N 3.42Å; N125-E128 HydrophobicContact CB-CB 3.93Å; N125-E128 WeakPolarHBondContact O-CB 3.42Å; N125-E128 PolarHBondContact O-N 3.15Å; N125-E128 PolarHBondContact OD1-N 2.95Å; N125-F129 WeakPolarHBondContact O-CB 3.42Å; N125-F129 PolarHBondContact O-N 3.23Å |
| 126 | L | 88.9 | Confident | 90.7 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 66% | 0.66 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | -175 | -66.9 | 176.2 | 0 | 0 | 0 | 113.4 | P124 K130 | P124-L126 PolarHBondContact O-N 2.93Å; L126-K130 VanDerWaalsContact O-CG 3.28Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 2.95Å |
| 127 | D | 89.9 | Confident | 90.8 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.7 | -39.7 | 179.5 | -61.6 | -37.5 | 0 | 0 | 0 | 110.9 | N125 F129 K130 L131 I152 | N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 3.44Å; N125-D127 WeakPolarHBondContact OD1-CB 3.37Å; N125-D127 PolarHBondContact OD1-N 3.42Å; D127-F129 VanDerWaalsContact C-N 3.33Å; D127-F129 PolarHBondContact O-N 2.99Å; D127-K130 PolarHBondContact O-N 3.39Å; D127-K130 IonicContact OD1-NZ 3.97Å; D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3Å; D127-L131 VanDerWaalsContact O-N 3.1Å; D127-I152 HydrophobicContact CB-CD1 3.71Å; D127-I152 HydrophobicContact CB-CG1 4.45Å |
| 128 | E | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 171.2 | -177.7 | -170.1 | -174.9 | 0 | 0 | 111 | N125 K130 L131 W132 L149 L159 T160 S163 L186 | N125-E128 HydrophobicContact CB-CB 3.93Å; N125-E128 WeakPolarHBondContact O-CB 3.42Å; N125-E128 PolarHBondContact O-N 3.15Å; N125-E128 PolarHBondContact OD1-N 2.95Å; E128-K130 PolarHBondContact O-N 2.88Å; E128-L131 PolarHBondContact O-N 3.03Å; E128-W132 PolarHBondContact O-N 3.32Å; E128-W132 VanDerWaalsContact O-N 3.14Å; E128-L149 HydrophobicContact CG-CD2 4.08Å; E128-L159 HydrophobicContact CB-CD2 4.09Å; E128-L159 HydrophobicContact CG-CD2 4.04Å; E128-L159 WeakPolarHBondContact OE2-CA 3.29Å; E128-T160 VanDerWaalsContact OE1-CB 3.29Å; E128-T160 WeakPolarHBondContact OE1-CB 3.49Å; E128-T160 WeakPolarHBondContact OE1-CG2 3.22Å; E128-T160 PolarHBondContact OE1-N 2.85Å; E128-T160 PolarHBondContact OE1-OG1 3.42Å; E128-T160 PolarHBondContact OE2-N 3.47Å; E128-T160 VanDerWaalsContact OE2-N 3.14Å; E128-S163 WeakPolarHBondContact OE1-CB 3.17Å; E128-S163 PolarHBondContact OE1-OG 3.49Å; E128-L186 HydrophobicContact CG-CD2 3.84Å |
| 129 | F | 91.1 | Very high | 90.8 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 178.3 | -179.1 | -92.3 | 0 | 0 | 0 | 111.5 | P124 N125 D127 L131 W132 E133 L186 | P124-F129 HydrophobicContact CG-CB 4.34Å; P124-F129 HydrophobicContact CG-CD2 3.97Å; N125-F129 WeakPolarHBondContact O-CB 3.42Å; N125-F129 PolarHBondContact O-N 3.23Å; D127-F129 VanDerWaalsContact C-N 3.33Å; D127-F129 PolarHBondContact O-N 2.99Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 2.68Å; F129-W132 PolarHBondContact O-N 3Å; F129-E133 HydrophobicContact CD1-CG 3.94Å; F129-E133 HydrophobicContact CE1-CG 3.51Å; F129-E133 HydrophobicContact CZ-CG 3.88Å; F129-E133 WeakPolarHBondContact O-CG 3.49Å; F129-E133 PolarHBondContact O-N 3.44Å; F129-L186 HydrophobicContact CB-CD2 4.31Å; F129-L186 HydrophobicContact CD2-CB 4.18Å; F129-L186 HydrophobicContact CD2-CD2 4.45Å |
| 130 | K | 92.6 | Very high | 90.7 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 177.5 | -73.2 | 169.3 | -172.2 | 169.1 | 0 | 112.8 | L126 D127 E128 E133 Q134 | L126-K130 VanDerWaalsContact O-CG 3.28Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 2.95Å; D127-K130 PolarHBondContact O-N 3.39Å; D127-K130 IonicContact OD1-NZ 3.97Å; E128-K130 PolarHBondContact O-N 2.88Å; K130-E133 PolarHBondContact O-N 3.36Å; K130-Q134 WeakPolarHBondContact O-CG 3.26Å; K130-Q134 PolarHBondContact O-N 3.49Å |
| 131 | L | 92.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.2 | -71.6 | -177.3 | 0 | 0 | 0 | 112.1 | D127 E128 F129 Q134 A135 L140 L145 K148 L149 I152 | D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3Å; D127-L131 VanDerWaalsContact O-N 3.1Å; E128-L131 PolarHBondContact O-N 3.03Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 2.68Å; L131-Q134 PolarHBondContact O-N 3.07Å; L131-A135 WeakPolarHBondContact O-CB 3.41Å; L131-A135 PolarHBondContact O-N 2.76Å; L131-L140 HydrophobicContact CD2-CD1 4.1Å; L131-L140 WeakPolarHBondContact O-CD1 3.31Å; L131-L145 HydrophobicContact CB-CD1 3.78Å; L131-K148 HydrophobicContact CD1-CB 3.7Å; L131-K148 HydrophobicContact CD2-CB 3.87Å; L131-K148 HydrophobicContact CD2-CD 3.7Å; L131-K148 HydrophobicContact CD2-CG 4.38Å; L131-K148 HydrophobicContact CG-CB 4.47Å; L131-L149 HydrophobicContact CD1-CD2 3.83Å; L131-L149 HydrophobicContact CD1-CG 4.04Å; L131-I152 HydrophobicContact CD1-CD1 3.35Å; L131-I152 HydrophobicContact CD1-CG1 4.42Å; L131-I152 HydrophobicContact CG-CD1 4.13Å |
| 132 | W | 94.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -36 | 175.4 | -80.7 | 104.9 | 0 | 0 | 0 | 112.6 | E128 F129 A135 R136 L145 L149 R162 S163 Y166 R182 L186 | E128-W132 PolarHBondContact O-N 3.32Å; E128-W132 VanDerWaalsContact O-N 3.14Å; F129-W132 PolarHBondContact O-N 3Å; W132-A135 PolarHBondContact O-N 3.22Å; W132-R136 WeakPolarHBondContact O-CB 3.45Å; W132-R136 PolarHBondContact O-N 3.18Å; W132-L145 HydrophobicContact CD2-CD2 4.27Å; W132-L145 HydrophobicContact CE3-CD2 3.97Å; W132-L145 HydrophobicContact CH2-CD2 3.82Å; W132-L145 HydrophobicContact CZ2-CD2 4.11Å; W132-L145 HydrophobicContact CZ3-CD2 3.74Å; W132-L149 HydrophobicContact CZ2-CD1 4.38Å; W132-R162 HydrophobicContact CH2-CG 4.13Å; W132-R162 HydrophobicContact CZ2-CG 3.78Å; W132-S163 PolarHBondContact NE1-OG 3.32Å; W132-Y166 HydrophobicContact CH2-CD2 4.27Å; W132-Y166 HydrophobicContact CH2-CG 4.33Å; W132-Y166 HydrophobicContact CZ2-CG 4.34Å; W132-R182 HydrophobicContact CZ3-CB 4.4Å; W132-L186 HydrophobicContact CG-CD1 4.14Å; W132-L186 HydrophobicContact CG-CD2 4.39Å |
| 133 | E | 93.2 | Very high | 91.3 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 171.6 | -73.4 | -77.3 | 111 | 0 | 0 | 111.4 | F129 K130 A135 R136 E137 | F129-E133 HydrophobicContact CD1-CG 3.94Å; F129-E133 HydrophobicContact CE1-CG 3.51Å; F129-E133 HydrophobicContact CZ-CG 3.88Å; F129-E133 WeakPolarHBondContact O-CG 3.49Å; F129-E133 PolarHBondContact O-N 3.44Å; K130-E133 PolarHBondContact O-N 3.36Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.87Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.06Å; E133-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 IonicContact OE1-CZ 3.32Å; E133-R136 IonicContact OE1-NE 3.15Å; E133-R136 IonicContact OE1-NH1 3.44Å; E133-R136 PolarHBondContact OE1-NH1 3.4Å; E133-R136 IonicContact OE1-NH2 3.21Å; E133-R136 PolarHBondContact OE1-NH2 3.37Å; E133-R136 IonicContact OE2-CZ 3.35Å; E133-R136 IonicContact OE2-NH1 3.21Å; E133-R136 IonicContact OE2-NH2 2.74Å; E133-R136 PolarHBondContact OE2-NH2 3.35Å; E133-E137 WeakPolarHBondContact O-CG 3.26Å; E133-E137 PolarHBondContact O-N 3.31Å |
| 134 | Q | 93.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 176.2 | -72.4 | 176.3 | -1.5 | 0 | 0 | 112.1 | K130 L131 R136 E137 G138 N139 L140 | K130-Q134 WeakPolarHBondContact O-CG 3.26Å; K130-Q134 PolarHBondContact O-N 3.49Å; L131-Q134 PolarHBondContact O-N 3.07Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; Q134-E137 PolarHBondContact O-N 3.15Å; Q134-G138 PolarHBondContact O-N 3.17Å; Q134-N139 HydrophobicContact CB-CB 4.29Å; Q134-N139 WeakPolarHBondContact O-CB 3.45Å; Q134-N139 PolarHBondContact O-N 3.06Å; Q134-L140 HydrophobicContact CB-CD1 3.71Å; Q134-L140 HydrophobicContact CB-CG 3.88Å |
| 135 | A | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -35.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L131 W132 E133 G138 L140 L145 F178 R182 | L131-A135 WeakPolarHBondContact O-CB 3.41Å; L131-A135 PolarHBondContact O-N 2.76Å; W132-A135 PolarHBondContact O-N 3.22Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.87Å; A135-G138 PolarHBondContact O-N 3.46Å; A135-L140 HydrophobicContact CB-CB 4.36Å; A135-L140 HydrophobicContact CB-CD1 4.48Å; A135-L145 HydrophobicContact CB-CD1 4.4Å; A135-L145 HydrophobicContact CB-CD2 3.95Å; A135-F178 HydrophobicContact CB-CE2 3.67Å; A135-F178 HydrophobicContact CB-CZ 3.99Å; A135-R182 PolarHBondContact O-NH1 2.94Å |
| 136 | R | 93.5 | Very high | 92.1 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.2 | -171.5 | -178.1 | 71.7 | -153.3 | -9.5 | 111.3 | W132 E133 Q134 G138 R182 | W132-R136 WeakPolarHBondContact O-CB 3.45Å; W132-R136 PolarHBondContact O-N 3.18Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.06Å; E133-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 IonicContact OE1-CZ 3.32Å; E133-R136 IonicContact OE1-NE 3.15Å; E133-R136 IonicContact OE1-NH1 3.44Å; E133-R136 PolarHBondContact OE1-NH1 3.4Å; E133-R136 IonicContact OE1-NH2 3.21Å; E133-R136 PolarHBondContact OE1-NH2 3.37Å; E133-R136 IonicContact OE2-CZ 3.35Å; E133-R136 IonicContact OE2-NH1 3.21Å; E133-R136 IonicContact OE2-NH2 2.74Å; E133-R136 PolarHBondContact OE2-NH2 3.35Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; R136-G138 PolarHBondContact O-N 3.15Å; R136-R182 VanDerWaalsContact CB-O 3.24Å; R136-R182 WeakPolarHBondContact CB-O 3.32Å; R136-R182 WeakPolarHBondContact CG-O 3.34Å |
| 137 | E | 92.9 | Very high | 92.2 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.2 | -13.9 | 177.8 | -69 | 174.3 | 173.6 | 0 | 0 | 113.3 | E133 Q134 N139 | E133-E137 WeakPolarHBondContact O-CG 3.26Å; E133-E137 PolarHBondContact O-N 3.31Å; Q134-E137 PolarHBondContact O-N 3.15Å; E137-N139 PolarHBondContact OE2-ND2 3.41Å |
| 138 | G | 89.5 | Confident | 92.3 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 13.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q134 A135 R136 L140 | Q134-G138 PolarHBondContact O-N 3.17Å; A135-G138 PolarHBondContact O-N 3.46Å; R136-G138 PolarHBondContact O-N 3.15Å; G138-L140 VanDerWaalsContact C-N 3.32Å |
| 139 | N | 92.8 | Very high | 92.2 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | trans | -82.2 | -7.2 | -180 | -66.2 | -36.5 | 0 | 0 | 0 | 113.6 | Q134 E137 | Q134-N139 HydrophobicContact CB-CB 4.29Å; Q134-N139 WeakPolarHBondContact O-CB 3.45Å; Q134-N139 PolarHBondContact O-N 3.06Å; E137-N139 PolarHBondContact OE2-ND2 3.41Å | ||
| 140 | L | 91.4 | Very high | 92 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -129.3 | 136.8 | 178.7 | -63 | 176.3 | 0 | 0 | 0 | 111 | L131 Q134 A135 G138 E144 L145 K148 F178 | L131-L140 HydrophobicContact CD2-CD1 4.1Å; L131-L140 WeakPolarHBondContact O-CD1 3.31Å; Q134-L140 HydrophobicContact CB-CD1 3.71Å; Q134-L140 HydrophobicContact CB-CG 3.88Å; A135-L140 HydrophobicContact CB-CB 4.36Å; A135-L140 HydrophobicContact CB-CD1 4.48Å; G138-L140 VanDerWaalsContact C-N 3.32Å; L140-E144 HydrophobicContact CD2-CB 4.45Å; L140-L145 HydrophobicContact CD1-CD1 4.08Å; L140-K148 HydrophobicContact CD1-CD 4.49Å; L140-K148 HydrophobicContact CD2-CD 3.96Å; L140-F178 WeakPolarHBondContact O-CZ 3.2Å |
| 141 | T | 92.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | trans | -74.8 | 158.3 | 165.8 | 64 | 0 | 0 | 0 | 0 | 110.8 | E143 E144 L145 | T141-E143 PolarHBondContact O-N 3.12Å; T141-E144 PolarHBondContact N-OE2 2.72Å; T141-E144 PolarHBondContact O-N 2.77Å; T141-E144 VanDerWaalsContact OG1-CB 3.32Å; T141-E144 WeakPolarHBondContact OG1-CB 3.36Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 2.84Å; T141-E144 PolarHBondContact OG1-OE1 3.02Å; T141-E144 PolarHBondContact OG1-OE2 2.93Å; T141-L145 PolarHBondContact O-N 3.09Å | ||
| 142 | P | 91.5 | Very high | 91.2 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.6 | -41.7 | 175.6 | -26.2 | 34.7 | 0 | 0 | 0 | 113.1 | R146 Y166 L174 F178 | P142-R146 PolarHBondContact O-N 3.2Å; P142-R146 VanDerWaalsContact O-N 3.08Å; P142-Y166 VanDerWaalsContact C-OH 3.3Å; P142-Y166 WeakPolarHBondContact CA-OH 3.46Å; P142-Y166 WeakPolarHBondContact CB-OH 3.28Å; P142-Y166 PolarHBondContact O-OH 3.11Å; P142-L174 HydrophobicContact CB-CD2 4.11Å; P142-L174 HydrophobicContact CB-CG 4.29Å; P142-F178 HydrophobicContact CB-CB 4.15Å; P142-F178 HydrophobicContact CB-CD1 4.41Å; P142-F178 HydrophobicContact CB-CD2 4.14Å; P142-F178 HydrophobicContact CB-CG 4Å; P142-F178 HydrophobicContact CG-CB 4.18Å; P142-F178 HydrophobicContact CG-CD1 3.67Å; P142-F178 HydrophobicContact CG-CD2 4.2Å; P142-F178 HydrophobicContact CG-CE1 4.01Å; P142-F178 HydrophobicContact CG-CE2 4.49Å; P142-F178 HydrophobicContact CG-CG 3.77Å; P142-F178 HydrophobicContact CG-CZ 4.41Å |
| 143 | E | 92.7 | Very high | 89.8 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 179.9 | -62.2 | 79.2 | -177.5 | 0 | 0 | 111.2 | T141 R146 E147 H175 | T141-E143 PolarHBondContact O-N 3.12Å; E143-R146 PolarHBondContact O-N 3.47Å; E143-E147 PolarHBondContact O-N 3.39Å; E143-H175 IonicContact OE1-CE1 2.68Å; E143-H175 PolarHBondContact OE1-CE1 3.45Å; E143-H175 IonicContact OE1-NE2 3.75Å; E143-H175 PolarHBondContact OE1-NE2 3.02Å; E143-H175 VanDerWaalsContact OE1-NE2 3.17Å |
| 144 | E | 93.3 | Very high | 88.3 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176 | -76.2 | 163.9 | -161.5 | 0 | 0 | 112.3 | L140 T141 R146 E147 K148 | L140-E144 HydrophobicContact CD2-CB 4.45Å; T141-E144 PolarHBondContact N-OE2 2.72Å; T141-E144 PolarHBondContact O-N 2.77Å; T141-E144 VanDerWaalsContact OG1-CB 3.32Å; T141-E144 WeakPolarHBondContact OG1-CB 3.36Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 2.84Å; T141-E144 PolarHBondContact OG1-OE1 3.02Å; T141-E144 PolarHBondContact OG1-OE2 2.93Å; E144-R146 VanDerWaalsContact C-N 3.29Å; E144-R146 PolarHBondContact O-N 2.95Å; E144-E147 PolarHBondContact O-N 3.03Å; E144-K148 WeakPolarHBondContact O-CB 3.31Å; E144-K148 WeakPolarHBondContact O-CG 3.43Å; E144-K148 PolarHBondContact O-N 3.05Å |
| 145 | L | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.7 | 177.1 | 63.8 | 0 | 0 | 0 | 110.3 | L131 W132 A135 L140 T141 K148 L149 Y166 F178 | L131-L145 HydrophobicContact CB-CD1 3.78Å; W132-L145 HydrophobicContact CD2-CD2 4.27Å; W132-L145 HydrophobicContact CE3-CD2 3.97Å; W132-L145 HydrophobicContact CH2-CD2 3.82Å; W132-L145 HydrophobicContact CZ2-CD2 4.11Å; W132-L145 HydrophobicContact CZ3-CD2 3.74Å; A135-L145 HydrophobicContact CB-CD1 4.4Å; A135-L145 HydrophobicContact CB-CD2 3.95Å; L140-L145 HydrophobicContact CD1-CD1 4.08Å; T141-L145 PolarHBondContact O-N 3.09Å; L145-K148 PolarHBondContact O-N 3.2Å; L145-L149 HydrophobicContact CD1-CD1 3.87Å; L145-L149 HydrophobicContact CD1-CG 4Å; L145-L149 HydrophobicContact CD2-CD1 4.42Å; L145-L149 HydrophobicContact CG-CD1 3.82Å; L145-L149 HydrophobicContact CG-CG 4.35Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.45Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-Y166 HydrophobicContact CB-CE1 4.22Å; L145-Y166 HydrophobicContact CD2-CD1 4.45Å; L145-Y166 HydrophobicContact CD2-CE1 3.85Å; L145-Y166 HydrophobicContact CG-CE1 3.91Å; L145-F178 HydrophobicContact CB-CE2 4.35Å; L145-F178 HydrophobicContact CD2-CD2 3.8Å; L145-F178 HydrophobicContact CD2-CE2 3.73Å |
| 146 | R | 91.8 | Very high | 85.9 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 179.6 | -168.4 | -177.5 | -177.2 | 161.8 | 6.1 | 111.4 | P142 E143 E144 L149 K150 Y166 L167 L169 | P142-R146 PolarHBondContact O-N 3.2Å; P142-R146 VanDerWaalsContact O-N 3.08Å; E143-R146 PolarHBondContact O-N 3.47Å; E144-R146 VanDerWaalsContact C-N 3.29Å; E144-R146 PolarHBondContact O-N 2.95Å; R146-L149 PolarHBondContact O-N 3.08Å; R146-K150 WeakPolarHBondContact O-CG 3.46Å; R146-K150 PolarHBondContact O-N 2.95Å; R146-Y166 HydrophobicContact CB-CD1 4.37Å; R146-Y166 HydrophobicContact CB-CE1 3.81Å; R146-Y166 HydrophobicContact CG-CE1 4.4Å; R146-L167 HydrophobicContact CG-CD2 4.02Å; R146-L167 PolarHBondContact NH2-O 3.47Å; R146-L169 VanDerWaalsContact CZ-O 3.27Å; R146-L169 PolarHBondContact NH1-O 2.75Å; R146-L169 PolarHBondContact NH2-O 3.35Å |
| 147 | E | 90.9 | Very high | 84.7 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.7 | -69.3 | -53.6 | 122 | 0 | 0 | 112.2 | E143 E144 L149 K150 Q151 | E143-E147 PolarHBondContact O-N 3.39Å; E144-E147 PolarHBondContact O-N 3.03Å; E147-L149 PolarHBondContact O-N 3.23Å; E147-K150 WeakPolarHBondContact O-CB 3.26Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 PolarHBondContact OE1-NZ 2.93Å; E147-Q151 WeakPolarHBondContact O-CG 3.34Å; E147-Q151 PolarHBondContact O-N 3.45Å; E147-Q151 VanDerWaalsContact O-N 3.12Å |
| 148 | K | 91 | Very high | 83.9 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.8 | -72.1 | -179.7 | 177.5 | 177.9 | 0 | 112.3 | L131 L140 E144 L145 K150 Q151 I152 | L131-K148 HydrophobicContact CD1-CB 3.7Å; L131-K148 HydrophobicContact CD2-CB 3.87Å; L131-K148 HydrophobicContact CD2-CD 3.7Å; L131-K148 HydrophobicContact CD2-CG 4.38Å; L131-K148 HydrophobicContact CG-CB 4.47Å; L140-K148 HydrophobicContact CD1-CD 4.49Å; L140-K148 HydrophobicContact CD2-CD 3.96Å; E144-K148 WeakPolarHBondContact O-CB 3.31Å; E144-K148 WeakPolarHBondContact O-CG 3.43Å; E144-K148 PolarHBondContact O-N 3.05Å; L145-K148 PolarHBondContact O-N 3.2Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.31Å; K148-Q151 WeakPolarHBondContact O-CB 3.14Å; K148-Q151 PolarHBondContact O-N 2.88Å; K148-I152 PolarHBondContact O-N 2.95Å |
| 149 | L | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 174.4 | -75.2 | 171.8 | 0 | 0 | 0 | 112.3 | E128 L131 W132 L145 R146 E147 Q151 I152 G153 Y166 L167 | E128-L149 HydrophobicContact CG-CD2 4.08Å; L131-L149 HydrophobicContact CD1-CD2 3.83Å; L131-L149 HydrophobicContact CD1-CG 4.04Å; W132-L149 HydrophobicContact CZ2-CD1 4.38Å; L145-L149 HydrophobicContact CD1-CD1 3.87Å; L145-L149 HydrophobicContact CD1-CG 4Å; L145-L149 HydrophobicContact CD2-CD1 4.42Å; L145-L149 HydrophobicContact CG-CD1 3.82Å; L145-L149 HydrophobicContact CG-CG 4.35Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.45Å; L145-L149 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 3.08Å; E147-L149 PolarHBondContact O-N 3.23Å; L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.46Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-G153 PolarHBondContact O-N 3.33Å; L149-Y166 HydrophobicContact CD1-CD1 3.89Å; L149-Y166 HydrophobicContact CD1-CE1 4.47Å; L149-L167 HydrophobicContact CB-CD2 3.97Å; L149-L167 HydrophobicContact CB-CG 4.44Å |
| 150 | K | 87.8 | Confident | 83.6 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 172.6 | -73.9 | 174.9 | -174.6 | 168.3 | 0 | 112.1 | R146 E147 K148 G153 L167 | R146-K150 WeakPolarHBondContact O-CG 3.46Å; R146-K150 PolarHBondContact O-N 2.95Å; E147-K150 WeakPolarHBondContact O-CB 3.26Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 PolarHBondContact OE1-NZ 2.93Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.31Å; K150-G153 PolarHBondContact O-N 2.82Å; K150-L167 HydrophobicContact CB-CD2 4.49Å; K150-L167 HydrophobicContact CG-CD2 3.55Å |
| 151 | Q | 85.3 | Confident | 83.3 | Confident | 154 Ų | 154 | 64.7 Ų | 64.7 | 72% | 0.72 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.2 | -37.3 | 178.7 | -69.4 | 172.9 | 5 | 0 | 0 | 112.4 | E147 K148 L149 | E147-Q151 WeakPolarHBondContact O-CG 3.34Å; E147-Q151 PolarHBondContact O-N 3.45Å; E147-Q151 VanDerWaalsContact O-N 3.12Å; K148-Q151 WeakPolarHBondContact O-CB 3.14Å; K148-Q151 PolarHBondContact O-N 2.88Å; L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.46Å |
| 152 | I | 81.6 | Confident | 83.2 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 172.9 | -60.8 | 173.7 | 0 | 0 | 0 | 110.9 | D127 L131 K148 L149 S154 L159 | D127-I152 HydrophobicContact CB-CD1 3.71Å; D127-I152 HydrophobicContact CB-CG1 4.45Å; L131-I152 HydrophobicContact CD1-CD1 3.35Å; L131-I152 HydrophobicContact CD1-CG1 4.42Å; L131-I152 HydrophobicContact CG-CD1 4.13Å; K148-I152 PolarHBondContact O-N 2.95Å; L149-I152 PolarHBondContact O-N 2.9Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.83Å; I152-L159 HydrophobicContact CG2-CD2 4.15Å |
| 153 | G | 65.5 | Low | 83.2 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -75.7 | 26.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | L149 K150 D155 M156 | L149-G153 PolarHBondContact O-N 3.33Å; K150-G153 PolarHBondContact O-N 2.82Å; G153-D155 PolarHBondContact O-N 3.09Å; G153-D155 VanDerWaalsContact O-N 3.13Å; G153-M156 PolarHBondContact O-N 2.84Å |
| 154 | S | 61.6 | Low | 83 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 76% | 0.762 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -54.4 | -32.5 | 170.6 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | I152 | I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.83Å |
| 155 | D | 67.6 | Low | 82.7 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -109.8 | 75.3 | 173.5 | -73.7 | -23.6 | 0 | 0 | 0 | 111.2 | G153 H157 K158 | G153-D155 PolarHBondContact O-N 3.09Å; G153-D155 VanDerWaalsContact O-N 3.13Å; D155-H157 VanDerWaalsContact CB-CE1 3.44Å; D155-H157 WeakPolarHBondContact CB-CE1 3.24Å; D155-H157 PolarHBondContact O-N 2.95Å; D155-H157 IonicContact OD1-CE1 2.94Å; D155-K158 HydrophobicContact CB-CB 4.47Å; D155-K158 HydrophobicContact CB-CD 3.82Å; D155-K158 HydrophobicContact CB-CG 4.06Å; D155-K158 PolarHBondContact O-N 3.1Å; D155-K158 WeakPolarHBondContact OD2-CE 3.4Å; D155-K158 IonicContact OD2-NZ 3.5Å; D155-K158 PolarHBondContact OD2-NZ 2.83Å |
| 156 | M | 67.3 | Low | 82.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 37% | 0.365 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -48.5 | -29.1 | 179.5 | -71.9 | -74.6 | -91.1 | 0 | 0 | 114.1 | G153 K158 L159 I164 L167 | G153-M156 PolarHBondContact O-N 2.84Å; M156-K158 VanDerWaalsContact C-N 3.26Å; M156-K158 PolarHBondContact O-N 3.35Å; M156-L159 PolarHBondContact O-N 3.43Å; M156-L159 HydrophobicContact SD-CD1 4.17Å; M156-I164 HydrophobicContact CE-CG2 4.4Å; M156-I164 WeakPolarHBondContact O-CD1 3.22Å; M156-L167 HydrophobicContact CE-CB 4.33Å; M156-L167 HydrophobicContact CE-CD1 3.94Å; M156-L167 HydrophobicContact SD-CD1 3.57Å; M156-L167 VanDerWaalsContact SD-CD1 3.57Å |
| 157 | H | 68.1 | Low | 82.6 | Confident | 139 Ų | 139 | 63.1 Ų | 63.1 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -69.1 | -17.2 | 178.8 | 65.7 | -86.6 | 0 | 0 | 0 | 114.4 | D155 | D155-H157 VanDerWaalsContact CB-CE1 3.44Å; D155-H157 WeakPolarHBondContact CB-CE1 3.24Å; D155-H157 PolarHBondContact O-N 2.95Å; D155-H157 IonicContact OD1-CE1 2.94Å |
| 158 | K | 76.7 | Confident | 82.4 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -83.4 | -24 | 177.2 | -69.7 | 178.7 | -179.1 | 160.1 | 0 | 112.7 | D155 M156 K188 | D155-K158 HydrophobicContact CB-CB 4.47Å; D155-K158 HydrophobicContact CB-CD 3.82Å; D155-K158 HydrophobicContact CB-CG 4.06Å; D155-K158 PolarHBondContact O-N 3.1Å; D155-K158 WeakPolarHBondContact OD2-CE 3.4Å; D155-K158 IonicContact OD2-NZ 3.5Å; D155-K158 PolarHBondContact OD2-NZ 2.83Å; M156-K158 VanDerWaalsContact C-N 3.26Å; M156-K158 PolarHBondContact O-N 3.35Å; K158-K188 PolarHBondContact O-NZ 3.33Å |
| 159 | L | 86.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -74.4 | 157.4 | -178.8 | -62.1 | 177.9 | 0 | 0 | 0 | 111.9 | E128 I152 M156 I164 L167 | E128-L159 HydrophobicContact CB-CD2 4.09Å; E128-L159 HydrophobicContact CG-CD2 4.04Å; E128-L159 WeakPolarHBondContact OE2-CA 3.29Å; I152-L159 HydrophobicContact CG2-CD2 4.15Å; M156-L159 PolarHBondContact O-N 3.43Å; M156-L159 HydrophobicContact SD-CD1 4.17Å; L159-I164 HydrophobicContact CB-CG1 4.08Å; L159-L167 HydrophobicContact CD1-CD1 3.94Å |
| 160 | T | 88.8 | Confident | 82.1 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | trans | -70.2 | 158.7 | 171.4 | 67.5 | 0 | 0 | 0 | 0 | 112 | P124 E128 R162 S163 I164 L186 K188 | P124-T160 HydrophobicContact CB-CG2 4.05Å; E128-T160 VanDerWaalsContact OE1-CB 3.29Å; E128-T160 WeakPolarHBondContact OE1-CB 3.49Å; E128-T160 WeakPolarHBondContact OE1-CG2 3.22Å; E128-T160 PolarHBondContact OE1-N 2.85Å; E128-T160 PolarHBondContact OE1-OG1 3.42Å; E128-T160 PolarHBondContact OE2-N 3.47Å; E128-T160 VanDerWaalsContact OE2-N 3.14Å; T160-R162 PolarHBondContact O-N 3.34Å; T160-S163 PolarHBondContact O-N 3.23Å; T160-S163 VanDerWaalsContact O-N 3.12Å; T160-S163 PolarHBondContact OG1-N 3.39Å; T160-I164 WeakPolarHBondContact O-CG1 3.14Å; T160-I164 PolarHBondContact O-N 3.39Å; T160-L186 HydrophobicContact CG2-CD1 4.07Å; T160-L186 HydrophobicContact CG2-CD2 4.18Å; T160-L186 HydrophobicContact CG2-CG 4.01Å; T160-L186 WeakPolarHBondContact OG1-CD1 3.42Å; T160-K188 HydrophobicContact CG2-CB 3.92Å; T160-K188 HydrophobicContact CG2-CG 4.23Å | ||
| 161 | S | 86.7 | Confident | 81.9 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -56.2 | -31.4 | 173.4 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | R165 | S161-R165 VanDerWaalsContact O-CB 3.23Å; S161-R165 WeakPolarHBondContact O-CB 2.98Å; S161-R165 PolarHBondContact O-N 2.8Å |
| 162 | R | 90 | Very high | 82 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -51.2 | 175 | -175.4 | -173.8 | -62.5 | 174.2 | 5.1 | 111.3 | W132 T160 R165 Y166 F177 Y181 I184 P185 L186 | W132-R162 HydrophobicContact CH2-CG 4.13Å; W132-R162 HydrophobicContact CZ2-CG 3.78Å; T160-R162 PolarHBondContact O-N 3.34Å; R162-R165 PolarHBondContact O-N 2.99Å; R162-Y166 WeakPolarHBondContact O-CB 3.41Å; R162-Y166 PolarHBondContact O-N 3.39Å; R162-F177 HydrophobicContact CG-CE1 4.01Å; R162-F177 HydrophobicContact CG-CZ 4.19Å; R162-Y181 PolarHBondContact NH1-O 2.9Å; R162-I184 PolarHBondContact NH1-O 3.09Å; R162-P185 PolarHBondContact NH1-O 2.91Å; R162-P185 PolarHBondContact NH2-O 2.82Å; R162-L186 HydrophobicContact CB-CD1 4.27Å |
| 163 | S | 90.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 180 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | E128 W132 T160 R165 Y166 L167 | E128-S163 WeakPolarHBondContact OE1-CB 3.17Å; E128-S163 PolarHBondContact OE1-OG 3.49Å; W132-S163 PolarHBondContact NE1-OG 3.32Å; T160-S163 PolarHBondContact O-N 3.23Å; T160-S163 VanDerWaalsContact O-N 3.12Å; T160-S163 PolarHBondContact OG1-N 3.39Å; S163-R165 VanDerWaalsContact C-N 3.34Å; S163-R165 PolarHBondContact O-N 3.18Å; S163-Y166 WeakPolarHBondContact O-CB 3.38Å; S163-Y166 PolarHBondContact O-N 3.44Å; S163-L167 VanDerWaalsContact O-CG 3.31Å; S163-L167 WeakPolarHBondContact O-CG 3.47Å; S163-L167 PolarHBondContact O-N 3.49Å |
| 164 | I | 88.8 | Confident | 83.6 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 175.8 | -64.4 | 167.2 | 0 | 0 | 0 | 110.2 | M156 L159 T160 Y166 L167 Q168 | M156-I164 HydrophobicContact CE-CG2 4.4Å; M156-I164 WeakPolarHBondContact O-CD1 3.22Å; L159-I164 HydrophobicContact CB-CG1 4.08Å; T160-I164 WeakPolarHBondContact O-CG1 3.14Å; T160-I164 PolarHBondContact O-N 3.39Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.8Å; I164-L167 PolarHBondContact O-N 2.88Å; I164-Q168 WeakPolarHBondContact O-CG 3.15Å; I164-Q168 PolarHBondContact O-N 3.36Å; I164-Q168 VanDerWaalsContact O-N 3.15Å |
| 165 | R | 88 | Confident | 85 | Confident | 153 Ų | 153 | 64 Ų | 64 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 175.7 | -176.5 | 167.9 | -177.9 | 143.5 | 1.5 | 111 | S161 R162 S163 L167 Q168 L169 F177 | S161-R165 VanDerWaalsContact O-CB 3.23Å; S161-R165 WeakPolarHBondContact O-CB 2.98Å; S161-R165 PolarHBondContact O-N 2.8Å; R162-R165 PolarHBondContact O-N 2.99Å; S163-R165 VanDerWaalsContact C-N 3.34Å; S163-R165 PolarHBondContact O-N 3.18Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 3.25Å; R165-Q168 PolarHBondContact O-N 2.83Å; R165-Q168 VanDerWaalsContact O-N 3.12Å; R165-L169 WeakPolarHBondContact O-CG 3.4Å; R165-L169 PolarHBondContact O-N 3.45Å; R165-F177 HydrophobicContact CB-CZ 4.46Å; R165-F177 HydrophobicContact CG-CE2 4.05Å; R165-F177 HydrophobicContact CG-CZ 4.24Å |
| 166 | Y | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.2 | -43 | 178.2 | -167.6 | -110.2 | 0 | 0 | 0 | 112.9 | W132 P142 L145 R146 L149 R162 S163 I164 Q168 L169 L174 F177 F178 | W132-Y166 HydrophobicContact CH2-CD2 4.27Å; W132-Y166 HydrophobicContact CH2-CG 4.33Å; W132-Y166 HydrophobicContact CZ2-CG 4.34Å; P142-Y166 VanDerWaalsContact C-OH 3.3Å; P142-Y166 WeakPolarHBondContact CA-OH 3.46Å; P142-Y166 WeakPolarHBondContact CB-OH 3.28Å; P142-Y166 PolarHBondContact O-OH 3.11Å; L145-Y166 HydrophobicContact CB-CE1 4.22Å; L145-Y166 HydrophobicContact CD2-CD1 4.45Å; L145-Y166 HydrophobicContact CD2-CE1 3.85Å; L145-Y166 HydrophobicContact CG-CE1 3.91Å; R146-Y166 HydrophobicContact CB-CD1 4.37Å; R146-Y166 HydrophobicContact CB-CE1 3.81Å; R146-Y166 HydrophobicContact CG-CE1 4.4Å; L149-Y166 HydrophobicContact CD1-CD1 3.89Å; L149-Y166 HydrophobicContact CD1-CE1 4.47Å; R162-Y166 WeakPolarHBondContact O-CB 3.41Å; R162-Y166 PolarHBondContact O-N 3.39Å; S163-Y166 WeakPolarHBondContact O-CB 3.38Å; S163-Y166 PolarHBondContact O-N 3.44Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.8Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.47Å; Y166-L169 PolarHBondContact O-N 3.06Å; Y166-L174 HydrophobicContact CD1-CD1 4.35Å; Y166-L174 HydrophobicContact CD2-CD1 3.85Å; Y166-L174 HydrophobicContact CE1-CD1 3.92Å; Y166-L174 HydrophobicContact CE2-CD1 3.36Å; Y166-L174 HydrophobicContact CE2-CG 3.95Å; Y166-L174 HydrophobicContact CG-CD1 4.32Å; Y166-L174 VanDerWaalsContact CZ-CD1 3.41Å; Y166-F177 AromaticContact CD2-CD1 3.55Å; Y166-F177 HydrophobicContact CD2-CD1 3.55Å; Y166-F177 HydrophobicContact CD2-CE1 4.01Å; Y166-F177 HydrophobicContact CD2-CG 4.44Å; Y166-F177 HydrophobicContact CE2-CD1 4.19Å; Y166-F178 HydrophobicContact CE2-CB 4.01Å; Y166-F178 HydrophobicContact CE2-CD2 4.44Å; Y166-F178 WeakPolarHBondContact OH-CD2 3.22Å |
| 167 | L | 89.9 | Confident | 87.3 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 177.6 | -70.9 | 175.9 | 0 | 0 | 0 | 113.1 | R146 L149 K150 M156 L159 S163 I164 R165 | R146-L167 HydrophobicContact CG-CD2 4.02Å; R146-L167 PolarHBondContact NH2-O 3.47Å; L149-L167 HydrophobicContact CB-CD2 3.97Å; L149-L167 HydrophobicContact CB-CG 4.44Å; K150-L167 HydrophobicContact CB-CD2 4.49Å; K150-L167 HydrophobicContact CG-CD2 3.55Å; M156-L167 HydrophobicContact CE-CB 4.33Å; M156-L167 HydrophobicContact CE-CD1 3.94Å; M156-L167 HydrophobicContact SD-CD1 3.57Å; M156-L167 VanDerWaalsContact SD-CD1 3.57Å; L159-L167 HydrophobicContact CD1-CD1 3.94Å; S163-L167 VanDerWaalsContact O-CG 3.31Å; S163-L167 WeakPolarHBondContact O-CG 3.47Å; S163-L167 PolarHBondContact O-N 3.49Å; I164-L167 PolarHBondContact O-N 2.88Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 3.25Å |
| 168 | Q | 86.5 | Confident | 88.5 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -85.3 | -14 | -179.7 | -69.1 | 174.7 | -11.6 | 0 | 0 | 113.8 | I164 R165 Y166 | I164-Q168 WeakPolarHBondContact O-CG 3.15Å; I164-Q168 PolarHBondContact O-N 3.36Å; I164-Q168 VanDerWaalsContact O-N 3.15Å; R165-Q168 PolarHBondContact O-N 2.83Å; R165-Q168 VanDerWaalsContact O-N 3.12Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.47Å |
| 169 | L | 87.7 | Confident | 89.2 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66.8 | 141.8 | -178.3 | -78.7 | 169.6 | 0 | 0 | 0 | 112.4 | R146 R165 Y166 L173 F177 | R146-L169 VanDerWaalsContact CZ-O 3.27Å; R146-L169 PolarHBondContact NH1-O 2.75Å; R146-L169 PolarHBondContact NH2-O 3.35Å; R165-L169 WeakPolarHBondContact O-CG 3.4Å; R165-L169 PolarHBondContact O-N 3.45Å; Y166-L169 PolarHBondContact O-N 3.06Å; L169-L173 HydrophobicContact CD2-CB 4.29Å; L169-F177 HydrophobicContact CD1-CB 3.5Å; L169-F177 HydrophobicContact CD1-CD1 4.01Å; L169-F177 HydrophobicContact CD1-CD2 3.59Å; L169-F177 HydrophobicContact CD1-CE2 4.28Å; L169-F177 HydrophobicContact CD1-CG 3.42Å; L169-F177 VanDerWaalsContact CD1-CG 3.42Å |
| 170 | P | 87.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | trans | -68.2 | 152 | 167 | 31.8 | -35.2 | 0 | 0 | 0 | 110.4 | N172 L173 L174 | P170-N172 VanDerWaalsContact C-N 3.25Å; P170-N172 VanDerWaalsContact CB-OD1 3.22Å; P170-N172 WeakPolarHBondContact CB-OD1 3.38Å; P170-N172 VanDerWaalsContact CG-OD1 3.29Å; P170-N172 WeakPolarHBondContact CG-OD1 3.4Å; P170-N172 PolarHBondContact O-N 3.01Å; P170-L173 HydrophobicContact CG-CB 4.44Å; P170-L173 HydrophobicContact CG-CD1 4.05Å; P170-L173 HydrophobicContact CG-CG 4.26Å; P170-L173 PolarHBondContact O-N 3.29Å; P170-L173 VanDerWaalsContact O-N 3.09Å; P170-L174 PolarHBondContact O-N 3.48Å | ||
| 171 | V | 84.4 | Confident | 89.6 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 56% | 0.564 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.7 | -35.8 | -170 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | L173 L174 | V171-L173 VanDerWaalsContact C-N 3.27Å; V171-L173 PolarHBondContact O-N 3.2Å; V171-L174 VanDerWaalsContact O-CB 3.22Å; V171-L174 WeakPolarHBondContact O-CB 3.2Å; V171-L174 PolarHBondContact O-N 3.31Å; V171-L174 VanDerWaalsContact O-N 3.15Å |
| 172 | N | 87 | Confident | 89.8 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 68% | 0.684 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.6 | -27.3 | 179 | 63.1 | -35 | 0 | 0 | 0 | 114.4 | P170 | P170-N172 VanDerWaalsContact C-N 3.25Å; P170-N172 VanDerWaalsContact CB-OD1 3.22Å; P170-N172 WeakPolarHBondContact CB-OD1 3.38Å; P170-N172 VanDerWaalsContact CG-OD1 3.29Å; P170-N172 WeakPolarHBondContact CG-OD1 3.4Å; P170-N172 PolarHBondContact O-N 3.01Å |
| 173 | L | 89.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -97.5 | -5.8 | 178 | -63 | -179.7 | 0 | 0 | 0 | 112.9 | L169 P170 V171 F177 | L169-L173 HydrophobicContact CD2-CB 4.29Å; P170-L173 HydrophobicContact CG-CB 4.44Å; P170-L173 HydrophobicContact CG-CD1 4.05Å; P170-L173 HydrophobicContact CG-CG 4.26Å; P170-L173 PolarHBondContact O-N 3.29Å; P170-L173 VanDerWaalsContact O-N 3.09Å; V171-L173 VanDerWaalsContact C-N 3.27Å; V171-L173 PolarHBondContact O-N 3.2Å; L173-F177 PolarHBondContact O-N 3.22Å; L173-F177 VanDerWaalsContact O-N 3.12Å |
| 174 | L | 90.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | -173 | -168.2 | 73.4 | 0 | 0 | 0 | 112.1 | P142 Y166 P170 V171 Q176 F177 F178 | P142-L174 HydrophobicContact CB-CD2 4.11Å; P142-L174 HydrophobicContact CB-CG 4.29Å; Y166-L174 HydrophobicContact CD1-CD1 4.35Å; Y166-L174 HydrophobicContact CD2-CD1 3.85Å; Y166-L174 HydrophobicContact CE1-CD1 3.92Å; Y166-L174 HydrophobicContact CE2-CD1 3.36Å; Y166-L174 HydrophobicContact CE2-CG 3.95Å; Y166-L174 HydrophobicContact CG-CD1 4.32Å; Y166-L174 VanDerWaalsContact CZ-CD1 3.41Å; P170-L174 PolarHBondContact O-N 3.48Å; V171-L174 VanDerWaalsContact O-CB 3.22Å; V171-L174 WeakPolarHBondContact O-CB 3.2Å; V171-L174 PolarHBondContact O-N 3.31Å; V171-L174 VanDerWaalsContact O-N 3.15Å; L174-Q176 PolarHBondContact O-N 2.97Å; L174-F177 PolarHBondContact O-N 2.81Å; L174-F178 VanDerWaalsContact O-CB 3.27Å; L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 3.22Å |
| 175 | H | 91 | Very high | 89.8 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | -178.8 | -67.5 | -83.9 | 0 | 0 | 0 | 112.2 | E143 F178 N179 | E143-H175 IonicContact OE1-CE1 2.68Å; E143-H175 PolarHBondContact OE1-CE1 3.45Å; E143-H175 IonicContact OE1-NE2 3.75Å; E143-H175 PolarHBondContact OE1-NE2 3.02Å; E143-H175 VanDerWaalsContact OE1-NE2 3.17Å; H175-F178 PolarHBondContact O-N 3.49Å; H175-N179 WeakPolarHBondContact O-CB 3.46Å; H175-N179 PolarHBondContact O-N 3.24Å; H175-N179 PolarHBondContact O-ND2 2.99Å |
| 176 | Q | 91.6 | Very high | 89.9 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 178.6 | -177 | -175.9 | -5.5 | 0 | 0 | 111 | L174 T180 | L174-Q176 PolarHBondContact O-N 2.97Å; Q176-T180 WeakPolarHBondContact O-CB 3.42Å; Q176-T180 PolarHBondContact O-N 3.4Å; Q176-T180 VanDerWaalsContact O-N 3.15Å; Q176-T180 PolarHBondContact O-OG1 3.38Å |
| 177 | F | 91.5 | Very high | 89.6 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.6 | -169.7 | -81.3 | 0 | 0 | 0 | 111.3 | R162 R165 Y166 L169 L173 L174 N179 T180 Y181 | R162-F177 HydrophobicContact CG-CE1 4.01Å; R162-F177 HydrophobicContact CG-CZ 4.19Å; R165-F177 HydrophobicContact CB-CZ 4.46Å; R165-F177 HydrophobicContact CG-CE2 4.05Å; R165-F177 HydrophobicContact CG-CZ 4.24Å; Y166-F177 AromaticContact CD2-CD1 3.55Å; Y166-F177 HydrophobicContact CD2-CD1 3.55Å; Y166-F177 HydrophobicContact CD2-CE1 4.01Å; Y166-F177 HydrophobicContact CD2-CG 4.44Å; Y166-F177 HydrophobicContact CE2-CD1 4.19Å; L169-F177 HydrophobicContact CD1-CB 3.5Å; L169-F177 HydrophobicContact CD1-CD1 4.01Å; L169-F177 HydrophobicContact CD1-CD2 3.59Å; L169-F177 HydrophobicContact CD1-CE2 4.28Å; L169-F177 HydrophobicContact CD1-CG 3.42Å; L169-F177 VanDerWaalsContact CD1-CG 3.42Å; L173-F177 PolarHBondContact O-N 3.22Å; L173-F177 VanDerWaalsContact O-N 3.12Å; L174-F177 PolarHBondContact O-N 2.81Å; F177-N179 PolarHBondContact O-N 2.81Å; F177-T180 PolarHBondContact O-N 2.92Å; F177-Y181 AromaticContact CD1-CD2 3.69Å; F177-Y181 HydrophobicContact CD1-CD2 3.69Å; F177-Y181 HydrophobicContact CD1-CE2 4.47Å; F177-Y181 HydrophobicContact CD1-CG 4.31Å; F177-Y181 AromaticContact CD2-CD2 3.58Å; F177-Y181 HydrophobicContact CD2-CD2 3.58Å; F177-Y181 AromaticContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CD2-CE2 3.53Å; F177-Y181 AromaticContact CE1-CD2 3.62Å; F177-Y181 HydrophobicContact CE1-CD2 3.62Å; F177-Y181 HydrophobicContact CE1-CE2 4.35Å; F177-Y181 AromaticContact CE1-CG 3.93Å; F177-Y181 HydrophobicContact CE1-CG 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.49Å; F177-Y181 HydrophobicContact CE2-CD2 3.49Å; F177-Y181 VanDerWaalsContact CE2-CD2 3.49Å; F177-Y181 AromaticContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CG 4.33Å; F177-Y181 AromaticContact CG-CD2 3.7Å; F177-Y181 HydrophobicContact CG-CD2 3.7Å; F177-Y181 HydrophobicContact CG-CE2 4.12Å; F177-Y181 AromaticContact CZ-CD2 3.53Å; F177-Y181 HydrophobicContact CZ-CD2 3.53Å; F177-Y181 AromaticContact CZ-CE2 3.81Å; F177-Y181 HydrophobicContact CZ-CE2 3.81Å; F177-Y181 AromaticContact CZ-CG 3.95Å; F177-Y181 HydrophobicContact CZ-CG 3.95Å; F177-Y181 WeakPolarHBondContact O-CD2 3.44Å; F177-Y181 PolarHBondContact O-N 2.95Å |
| 178 | F | 93.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.3 | -52.9 | 178.2 | 177.1 | -95.1 | 0 | 0 | 0 | 111.5 | A135 L140 P142 L145 Y166 L174 H175 T180 Y181 R182 | A135-F178 HydrophobicContact CB-CE2 3.67Å; A135-F178 HydrophobicContact CB-CZ 3.99Å; L140-F178 WeakPolarHBondContact O-CZ 3.2Å; P142-F178 HydrophobicContact CB-CB 4.15Å; P142-F178 HydrophobicContact CB-CD1 4.41Å; P142-F178 HydrophobicContact CB-CD2 4.14Å; P142-F178 HydrophobicContact CB-CG 4Å; P142-F178 HydrophobicContact CG-CB 4.18Å; P142-F178 HydrophobicContact CG-CD1 3.67Å; P142-F178 HydrophobicContact CG-CD2 4.2Å; P142-F178 HydrophobicContact CG-CE1 4.01Å; P142-F178 HydrophobicContact CG-CE2 4.49Å; P142-F178 HydrophobicContact CG-CG 3.77Å; P142-F178 HydrophobicContact CG-CZ 4.41Å; L145-F178 HydrophobicContact CB-CE2 4.35Å; L145-F178 HydrophobicContact CD2-CD2 3.8Å; L145-F178 HydrophobicContact CD2-CE2 3.73Å; Y166-F178 HydrophobicContact CE2-CB 4.01Å; Y166-F178 HydrophobicContact CE2-CD2 4.44Å; Y166-F178 WeakPolarHBondContact OH-CD2 3.22Å; L174-F178 VanDerWaalsContact O-CB 3.27Å; L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 3.22Å; H175-F178 PolarHBondContact O-N 3.49Å; F178-T180 PolarHBondContact O-N 2.66Å; F178-Y181 PolarHBondContact O-N 2.99Å; F178-R182 WeakPolarHBondContact O-CB 3.38Å; F178-R182 VanDerWaalsContact O-CG 3.26Å; F178-R182 WeakPolarHBondContact O-CG 3.27Å; F178-R182 PolarHBondContact O-N 3.2Å |
| 179 | N | 92.2 | Very high | 89.5 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | -178.3 | -73.6 | -29.8 | 0 | 0 | 0 | 112.9 | H175 F177 | H175-N179 WeakPolarHBondContact O-CB 3.46Å; H175-N179 PolarHBondContact O-N 3.24Å; H175-N179 PolarHBondContact O-ND2 2.99Å; F177-N179 PolarHBondContact O-N 2.81Å |
| 180 | T | 92.8 | Very high | 89.7 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -75.2 | -43.6 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 112 | Q176 F177 F178 | Q176-T180 WeakPolarHBondContact O-CB 3.42Å; Q176-T180 PolarHBondContact O-N 3.4Å; Q176-T180 VanDerWaalsContact O-N 3.15Å; Q176-T180 PolarHBondContact O-OG1 3.38Å; F177-T180 PolarHBondContact O-N 2.92Å; F178-T180 PolarHBondContact O-N 2.66Å |
| 181 | Y | 91.7 | Very high | 90 | Very high | 87 Ų | 87 | 68.5 Ų | 68.5 | 34% | 0.341 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -101.5 | -13.9 | -169.2 | -70.4 | -82.6 | 0 | 0 | 0 | 115 | R162 F177 F178 V183 I184 | R162-Y181 PolarHBondContact NH1-O 2.9Å; F177-Y181 AromaticContact CD1-CD2 3.69Å; F177-Y181 HydrophobicContact CD1-CD2 3.69Å; F177-Y181 HydrophobicContact CD1-CE2 4.47Å; F177-Y181 HydrophobicContact CD1-CG 4.31Å; F177-Y181 AromaticContact CD2-CD2 3.58Å; F177-Y181 HydrophobicContact CD2-CD2 3.58Å; F177-Y181 AromaticContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CD2-CE2 3.53Å; F177-Y181 AromaticContact CE1-CD2 3.62Å; F177-Y181 HydrophobicContact CE1-CD2 3.62Å; F177-Y181 HydrophobicContact CE1-CE2 4.35Å; F177-Y181 AromaticContact CE1-CG 3.93Å; F177-Y181 HydrophobicContact CE1-CG 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.49Å; F177-Y181 HydrophobicContact CE2-CD2 3.49Å; F177-Y181 VanDerWaalsContact CE2-CD2 3.49Å; F177-Y181 AromaticContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CG 4.33Å; F177-Y181 AromaticContact CG-CD2 3.7Å; F177-Y181 HydrophobicContact CG-CD2 3.7Å; F177-Y181 HydrophobicContact CG-CE2 4.12Å; F177-Y181 AromaticContact CZ-CD2 3.53Å; F177-Y181 HydrophobicContact CZ-CD2 3.53Å; F177-Y181 AromaticContact CZ-CE2 3.81Å; F177-Y181 HydrophobicContact CZ-CE2 3.81Å; F177-Y181 AromaticContact CZ-CG 3.95Å; F177-Y181 HydrophobicContact CZ-CG 3.95Å; F177-Y181 WeakPolarHBondContact O-CD2 3.44Å; F177-Y181 PolarHBondContact O-N 2.95Å; F178-Y181 PolarHBondContact O-N 2.99Å; Y181-V183 PolarHBondContact O-N 2.87Å; Y181-I184 HydrophobicContact CD1-CD1 3.82Å; Y181-I184 HydrophobicContact CE1-CD1 4.23Å; Y181-I184 PolarHBondContact O-N 3.26Å |
| 182 | R | 90.4 | Very high | 90.6 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 28% | 0.275 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.8 | 177.4 | 72.9 | -171.6 | -173.5 | 119.7 | -2.9 | 113.4 | W132 A135 R136 F178 | W132-R182 HydrophobicContact CZ3-CB 4.4Å; A135-R182 PolarHBondContact O-NH1 2.94Å; R136-R182 VanDerWaalsContact CB-O 3.24Å; R136-R182 WeakPolarHBondContact CB-O 3.32Å; R136-R182 WeakPolarHBondContact CG-O 3.34Å; F178-R182 WeakPolarHBondContact O-CB 3.38Å; F178-R182 VanDerWaalsContact O-CG 3.26Å; F178-R182 WeakPolarHBondContact O-CG 3.27Å; F178-R182 PolarHBondContact O-N 3.2Å |
| 183 | V | 89.9 | Confident | 91 | Very high | 88 Ų | 88 | 59 Ų | 59 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.1 | -179.7 | -63.5 | 0 | 0 | 0 | 0 | 113 | Y181 | Y181-V183 PolarHBondContact O-N 2.87Š|
| 184 | I | 91.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -87.9 | 132.4 | -177.7 | -56.1 | 178.5 | 0 | 0 | 0 | 108.1 | R162 Y181 | R162-I184 PolarHBondContact NH1-O 3.09Å; Y181-I184 HydrophobicContact CD1-CD1 3.82Å; Y181-I184 HydrophobicContact CE1-CD1 4.23Å; Y181-I184 PolarHBondContact O-N 3.26Å |
| 185 | P | 88.1 | Confident | 91.7 | Very high | 78 Ų | 78 | 57 Ų | 57 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 141.1 | 174.5 | -26.7 | 35.2 | 0 | 0 | 0 | 112.2 | R162 E187 | R162-P185 PolarHBondContact NH1-O 2.91Å; R162-P185 PolarHBondContact NH2-O 2.82Å; P185-E187 PolarHBondContact O-N 2.86Å |
| 186 | L | 89.6 | Confident | 92 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 116.8 | 178.7 | -171.5 | 74.2 | 0 | 0 | 0 | 109.7 | P124 E128 F129 W132 T160 R162 | P124-L186 HydrophobicContact CB-CD2 3.87Å; P124-L186 HydrophobicContact CB-CG 4.33Å; P124-L186 HydrophobicContact CG-CD2 4.37Å; E128-L186 HydrophobicContact CG-CD2 3.84Å; F129-L186 HydrophobicContact CB-CD2 4.31Å; F129-L186 HydrophobicContact CD2-CB 4.18Å; F129-L186 HydrophobicContact CD2-CD2 4.45Å; W132-L186 HydrophobicContact CG-CD1 4.14Å; W132-L186 HydrophobicContact CG-CD2 4.39Å; T160-L186 HydrophobicContact CG2-CD1 4.07Å; T160-L186 HydrophobicContact CG2-CD2 4.18Å; T160-L186 HydrophobicContact CG2-CG 4.01Å; T160-L186 WeakPolarHBondContact OG1-CD1 3.42Å; R162-L186 HydrophobicContact CB-CD1 4.27Å |
| 187 | E | 84.8 | Confident | 92.2 | Very high | 116 Ų | 116 | 50.5 Ų | 50.5 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | trans | -118.7 | 140.3 | 176.5 | -66.6 | -179.2 | -174.7 | 0 | 0 | 110 | P185 | P185-E187 PolarHBondContact O-N 2.86Š| ||
| 188 | K | 87.3 | Confident | 92.3 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.2 | 170.7 | -170.1 | 172.9 | 178.9 | 170.9 | 0 | 108.6 | L122 P124 K158 T160 | L122-K188 HydrophobicContact CB-CB 4.12Å; L122-K188 HydrophobicContact CB-CD 4.18Å; L122-K188 HydrophobicContact CB-CG 4.06Å; L122-K188 PolarHBondContact N-O 2.67Å; L122-K188 WeakPolarHBondContact O-CB 3.22Å; P124-K188 HydrophobicContact CB-CB 4.33Å; K158-K188 PolarHBondContact O-NZ 3.33Å; T160-K188 HydrophobicContact CG2-CB 3.92Å; T160-K188 HydrophobicContact CG2-CG 4.23Å |
| 189 | Q | 87.7 | Confident | 92.3 | Very high | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.5 | 176 | -68.6 | 179.7 | -23.3 | 0 | 0 | 109 | P103 | P103-Q189 HydrophobicContact CB-CB 4.27Å |
| 190 | T | 91.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -89.4 | 154.9 | 169.3 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | P103 L119 T215 S217 | P103-T190 VanDerWaalsContact CA-O 3.29Å; P103-T190 WeakPolarHBondContact CA-O 3.47Å; P103-T190 WeakPolarHBondContact CB-O 3.48Å; L119-T190 HydrophobicContact CB-CG2 4.1Å; L119-T190 HydrophobicContact CD1-CG2 4.08Å; T190-T215 HydrophobicContact CG2-CG2 4.06Å; T190-T215 WeakPolarHBondContact OG1-CB 3.06Å; T190-S217 WeakPolarHBondContact CB-OG 3.25Å; T190-S217 WeakPolarHBondContact OG1-CB 3.44Å; T190-S217 PolarHBondContact OG1-N 3.22Å; T190-S217 VanDerWaalsContact OG1-N 3.15Å; T190-S217 PolarHBondContact OG1-OG 2.9Å | ||
| 191 | V | 93.2 | Very high | 92 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | trans | -108.5 | 155.5 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | G102 T215 E216 | G102-V191 CarbonylContact O-C 3.51Å; G102-V191 VanDerWaalsContact O-CA 3.27Å; G102-V191 WeakPolarHBondContact O-CA 3.12Å; G102-V191 WeakPolarHBondContact O-CB 3.32Å; V191-T215 CarbonylContact O-C 3.5Å; V191-T215 WeakPolarHBondContact O-CA 3.3Å; V191-T215 WeakPolarHBondContact O-CB 3.36Å; V191-E216 HydrophobicContact CG2-CB 3.58Å; V191-E216 HydrophobicContact CG2-CG 4.15Å; V191-E216 PolarHBondContact O-N 2.96Å | ||
| 192 | V | 96.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.3 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | S80 A100 G102 I105 L119 V213 G214 | S80-V192 WeakPolarHBondContact CB-O 3.5Å; S80-V192 PolarHBondContact OG-O 2.85Å; A100-V192 HydrophobicContact CB-CB 3.99Å; A100-V192 HydrophobicContact CB-CG1 3.58Å; A100-V192 HydrophobicContact CB-CG2 4.12Å; G102-V192 PolarHBondContact O-N 3.24Å; I105-V192 HydrophobicContact CG1-CG2 4.34Å; L119-V192 HydrophobicContact CD1-CB 4.47Å; L119-V192 HydrophobicContact CD1-CG2 3.4Å; L119-V192 HydrophobicContact CG-CG2 4.31Å; V192-V213 HydrophobicContact CB-CG1 4.18Å; V192-V213 HydrophobicContact CG1-CG1 3.51Å; V192-V213 HydrophobicContact CG2-CG1 3.74Å; V192-G214 WeakPolarHBondContact CA-O 3.38Å |
| 193 | T | 96.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -35 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | G214 E216 V239 P240 | T193-G214 PolarHBondContact N-O 2.74Å; T193-G214 VanDerWaalsContact OG1-C 3.31Å; T193-G214 PolarHBondContact OG1-O 2.95Å; T193-E216 HydrophobicContact CG2-CB 4.17Å; T193-E216 WeakPolarHBondContact CG2-OE2 3.45Å; T193-V239 HydrophobicContact CG2-CG1 3.83Å; T193-P240 VanDerWaalsContact CB-O 3.25Å; T193-P240 WeakPolarHBondContact CB-O 3.36Å; T193-P240 PolarHBondContact OG1-O 2.88Å |
| 194 | C | 97 | Very high | 90.5 | Very high | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 150.1 | -178.2 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | G214 V241 L243 | C194-G214 PolarHBondContact O-N 2.97Å; C194-V241 WeakPolarHBondContact CB-O 3.49Å; C194-L243 HydrophobicContact CB-CD1 4.42Å; C194-L243 HydrophobicContact CB-CG 4.32Å; C194-L243 VanDerWaalsContact SG-CG 3.52Å |
| 195 | L | 97.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.6 | -175.2 | -179.1 | 67.2 | 0 | 0 | 0 | 109.8 | I83 A98 A100 L211 V213 | I83-L195 HydrophobicContact CB-CD2 4.41Å; I83-L195 HydrophobicContact CG2-CD2 3.66Å; I83-L195 HydrophobicContact CG2-CG 3.98Å; A98-L195 HydrophobicContact CB-CD2 4.28Å; A100-L195 HydrophobicContact CB-CB 4.14Å; A100-L195 HydrophobicContact CB-CD2 3.9Å; A100-L195 HydrophobicContact CB-CG 4.43Å; L195-L211 HydrophobicContact CD1-CB 4.33Å; L195-V213 HydrophobicContact CD1-CG2 3.9Å |
| 196 | T | 96.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -179.6 | 166.9 | -163.4 | 0 | 0 | 0 | 0 | 110 | T212 L243 A245 | T196-T212 HydrophobicContact CG2-CG2 4.28Å; T196-T212 PolarHBondContact N-O 3.34Å; T196-T212 PolarHBondContact O-N 2.78Å; T196-T212 VanDerWaalsContact O-O 3.14Å; T196-L243 HydrophobicContact CG2-CB 3.47Å; T196-L243 VanDerWaalsContact CG2-CB 3.47Å; T196-L243 HydrophobicContact CG2-CD1 3.99Å; T196-L243 HydrophobicContact CG2-CG 4.36Å; T196-A245 HydrophobicContact CG2-CB 3.8Å |
| 197 | K | 95.4 | Very high | 89 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 27% | 0.265 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.8 | 177.8 | 71.9 | -177.7 | -174.1 | 161.7 | 0 | 111.2 | I83 P84 F85 D209 C210 L211 | I83-K197 HydrophobicContact CD1-CB 4.01Å; I83-K197 HydrophobicContact CD1-CD 3.85Å; I83-K197 HydrophobicContact CD1-CG 3.64Å; I83-K197 HydrophobicContact CG1-CD 4.08Å; I83-K197 HydrophobicContact CG1-CG 4.41Å; P84-K197 WeakPolarHBondContact O-CD 3.39Å; P84-K197 WeakPolarHBondContact O-CE 3.11Å; P84-K197 PolarHBondContact O-NZ 3.24Å; F85-K197 HydrophobicContact CB-CD 3.64Å; K197-D209 HydrophobicContact CB-CB 4.36Å; K197-D209 HydrophobicContact CD-CB 4.41Å; K197-D209 WeakPolarHBondContact CD-OD2 3.35Å; K197-D209 IonicContact NZ-OD2 2.71Å; K197-D209 PolarHBondContact NZ-OD2 2.67Å; K197-C210 VanDerWaalsContact CA-O 3.29Å; K197-C210 WeakPolarHBondContact CA-O 3.43Å; K197-L211 HydrophobicContact CB-CD2 4.25Å |
| 198 | M | 94.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.034 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154.3 | 173.9 | 57.3 | 179.8 | -67.8 | 0 | 0 | 109.2 | D209 C210 I222 A245 F249 Y253 I255 | M198-D209 CarbonylContact O-C 3.6Å; M198-D209 VanDerWaalsContact O-CA 3.3Å; M198-D209 WeakPolarHBondContact O-CA 3.3Å; M198-C210 HydrophobicContact CG-CB 4.32Å; M198-C210 PolarHBondContact N-O 2.9Å; M198-C210 PolarHBondContact O-N 2.91Å; M198-I222 HydrophobicContact SD-CD1 4.21Å; M198-I222 HydrophobicContact SD-CG2 4.45Å; M198-A245 HydrophobicContact CB-CB 4.01Å; M198-A245 HydrophobicContact SD-CB 4.42Å; M198-F249 HydrophobicContact CE-CB 3.85Å; M198-F249 VanDerWaalsContact CE-N 3.32Å; M198-Y253 HydrophobicContact CE-CD1 3.98Å; M198-Y253 HydrophobicContact CE-CD2 4.34Å; M198-Y253 HydrophobicContact CE-CG 3.65Å; M198-I255 HydrophobicContact SD-CD1 4.34Å |
| 199 | S | 92.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145.6 | 176.6 | 178 | 0 | 0 | 0 | 0 | 110.8 | H202 S248 F249 | S199-H202 VanDerWaalsContact OG-C 3.27Å; S199-H202 PolarHBondContact OG-N 2.8Å; S199-H202 PolarHBondContact OG-O 2.66Å; S199-S248 CarbonylContact O-C 3.53Å; S199-S248 WeakPolarHBondContact O-CA 3.3Å; S199-F249 PolarHBondContact O-N 2.82Å |
| 200 | K | 91.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73.3 | -58.8 | 171.3 | -169.5 | 177.8 | -177.6 | -63.3 | 0 | 111.4 | W208 C210 D224 F249 D250 | K200-W208 HydrophobicContact CD-CZ2 3.67Å; K200-W208 VanDerWaalsContact CD-NE1 3.26Å; K200-W208 PolarHBondContact N-O 3.35Å; K200-C210 VanDerWaalsContact CB-SG 3.5Å; K200-C210 VanDerWaalsContact CG-SG 3.59Å; K200-D224 VanDerWaalsContact CD-OD2 3.32Å; K200-D224 WeakPolarHBondContact CD-OD2 3.21Å; K200-D224 WeakPolarHBondContact CE-OD2 3.42Å; K200-F249 CarbonylContact O-C 3.6Å; K200-F249 PolarHBondContact O-N 3.3Å; K200-D250 IonicContact NZ-OD1 2.68Å; K200-D250 PolarHBondContact NZ-OD1 2.88Å; K200-D250 IonicContact NZ-OD2 2.87Å; K200-D250 PolarHBondContact NZ-OD2 2.79Å; K200-D250 WeakPolarHBondContact O-CB 3.29Å; K200-D250 PolarHBondContact O-N 2.89Å |
| 201 | Q | 86.8 | Confident | 90 | Very high | 75 Ų | 75 | 39 Ų | 39 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -102 | -62 | -168.3 | -77.1 | 179.8 | -26.9 | 0 | 0 | 113 | W208 S248 D250 I251 | Q201-W208 HydrophobicContact CG-CH2 4.39Å; Q201-W208 VanDerWaalsContact OE1-CH2 3.23Å; Q201-S248 VanDerWaalsContact O-CB 3.3Å; Q201-S248 WeakPolarHBondContact O-CB 3.3Å; Q201-D250 HydrophobicContact CG-CB 4.44Å; Q201-D250 WeakPolarHBondContact CG-OD2 3.12Å; Q201-I251 WeakPolarHBondContact O-CD1 2.84Å; Q201-I251 VanDerWaalsContact O-CG1 3.23Å; Q201-I251 WeakPolarHBondContact O-CG1 3.34Å |
| 202 | H | 85.4 | Confident | 90.2 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 36% | 0.361 | 21% | 0.205 | S | C | . | . | trans | -148.9 | 162 | -176.5 | 61.6 | -81.9 | 0 | 0 | 0 | 108.5 | S199 G204 S207 I251 | S199-H202 VanDerWaalsContact OG-C 3.27Å; S199-H202 PolarHBondContact OG-N 2.8Å; S199-H202 PolarHBondContact OG-O 2.66Å; H202-G204 PolarHBondContact O-N 2.89Å; H202-S207 WeakPolarHBondContact O-CB 3.18Å; H202-S207 PolarHBondContact O-OG 2.83Å; H202-S207 VanDerWaalsContact O-OG 3.11Å; H202-I251 HydrophobicContact CB-CD1 4.42Å | ||
| 203 | S | 78.1 | Confident | 90.2 | Very high | 105 Ų | 105 | 36.1 Ų | 36.1 | 73% | 0.734 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -83.1 | 115.6 | 170.6 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 204 | G | 77.9 | Confident | 90.2 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 22% | 0.216 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -171 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K86 H202 S207 | K86-G204 PolarHBondContact NZ-O 2.85Å; H202-G204 PolarHBondContact O-N 2.89Å; G204-S207 PolarHBondContact N-OG 2.84Å; G204-S207 VanDerWaalsContact N-OG 3.12Å; G204-S207 PolarHBondContact O-OG 2.81Å |
| 205 | P | 73.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 34.9 Ų | 34.9 | 71% | 0.714 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -38.5 | 174.8 | 25.8 | -31.9 | 0 | 0 | 0 | 112 | S207 | P205-S207 VanDerWaalsContact C-N 3.34Š|
| 206 | N | 79.3 | Confident | 90 | Very high | 141 Ų | 141 | 37.3 Ų | 37.3 | 75% | 0.754 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.4 | -178.1 | -69 | -4.2 | 0 | 0 | 0 | 113.7 | ||
| 207 | S | 85 | Confident | 89.8 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | trans | -88.8 | 153.8 | 177.6 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | K86 H202 G204 P205 | K86-S207 WeakPolarHBondContact CD-O 3.38Å; H202-S207 WeakPolarHBondContact O-CB 3.18Å; H202-S207 PolarHBondContact O-OG 2.83Å; H202-S207 VanDerWaalsContact O-OG 3.11Å; G204-S207 PolarHBondContact N-OG 2.84Å; G204-S207 VanDerWaalsContact N-OG 3.12Å; G204-S207 PolarHBondContact O-OG 2.81Å; P205-S207 VanDerWaalsContact C-N 3.34Å | ||
| 208 | W | 87.8 | Confident | 89.8 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | trans | -120.1 | 160.7 | 170.2 | 66.9 | 96.3 | 0 | 0 | 0 | 110.8 | K86 K88 K200 Q201 D224 V226 | K86-W208 WeakPolarHBondContact O-CA 3.44Å; K86-W208 WeakPolarHBondContact O-CB 3.46Å; K88-W208 HydrophobicContact CB-CB 4.19Å; K88-W208 HydrophobicContact CB-CD2 3.98Å; K88-W208 HydrophobicContact CB-CE3 4.18Å; K88-W208 HydrophobicContact CB-CG 4.01Å; K88-W208 HydrophobicContact CD-CD2 4.21Å; K88-W208 HydrophobicContact CD-CE3 3.93Å; K88-W208 HydrophobicContact CD-CH2 4.03Å; K88-W208 HydrophobicContact CD-CZ2 4.25Å; K88-W208 HydrophobicContact CD-CZ3 3.86Å; K88-W208 HydrophobicContact CG-CD2 4.39Å; K88-W208 HydrophobicContact CG-CE3 4.12Å; K88-W208 HydrophobicContact CG-CZ3 4.47Å; K200-W208 HydrophobicContact CD-CZ2 3.67Å; K200-W208 VanDerWaalsContact CD-NE1 3.26Å; K200-W208 PolarHBondContact N-O 3.35Å; Q201-W208 HydrophobicContact CG-CH2 4.39Å; Q201-W208 VanDerWaalsContact OE1-CH2 3.23Å; W208-D224 PolarHBondContact NE1-OD1 3.44Å; W208-V226 HydrophobicContact CD2-CG2 4.46Å; W208-V226 HydrophobicContact CG-CG2 4.07Å | ||
| 209 | D | 93.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.4 | -174.5 | -59.4 | -32.3 | 0 | 0 | 0 | 110 | F85 K86 K197 M198 | F85-D209 WeakPolarHBondContact CA-OD2 3.33Å; F85-D209 HydrophobicContact CB-CB 4.07Å; F85-D209 HydrophobicContact CD2-CB 4.18Å; K86-D209 PolarHBondContact N-OD2 2.75Å; K86-D209 PolarHBondContact O-N 3.21Å; K197-D209 HydrophobicContact CB-CB 4.36Å; K197-D209 HydrophobicContact CD-CB 4.41Å; K197-D209 WeakPolarHBondContact CD-OD2 3.35Å; K197-D209 IonicContact NZ-OD2 2.71Å; K197-D209 PolarHBondContact NZ-OD2 2.67Å; M198-D209 CarbonylContact O-C 3.6Å; M198-D209 VanDerWaalsContact O-CA 3.3Å; M198-D209 WeakPolarHBondContact O-CA 3.3Å |
| 210 | C | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 151 | 159.5 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | K197 M198 K200 I222 Y223 | K197-C210 VanDerWaalsContact CA-O 3.29Å; K197-C210 WeakPolarHBondContact CA-O 3.43Å; M198-C210 HydrophobicContact CG-CB 4.32Å; M198-C210 PolarHBondContact N-O 2.9Å; M198-C210 PolarHBondContact O-N 2.91Å; K200-C210 VanDerWaalsContact CB-SG 3.5Å; K200-C210 VanDerWaalsContact CG-SG 3.59Å; C210-I222 HydrophobicContact CB-CG2 3.93Å; C210-Y223 WeakPolarHBondContact CA-O 3.46Å; C210-Y223 WeakPolarHBondContact CB-O 3.19Å |
| 211 | L | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.9 | 172.2 | -63.1 | 178.3 | 0 | 0 | 0 | 109.3 | I83 F85 A98 I105 L195 K197 I222 Y223 | I83-L211 HydrophobicContact CG2-CD2 4.06Å; F85-L211 HydrophobicContact CB-CD2 4.33Å; F85-L211 HydrophobicContact CD1-CD2 4.26Å; F85-L211 HydrophobicContact CD2-CD2 3.99Å; F85-L211 HydrophobicContact CD2-CG 4.36Å; F85-L211 HydrophobicContact CE2-CD1 4.4Å; F85-L211 HydrophobicContact CE2-CD2 4.37Å; F85-L211 HydrophobicContact CE2-CG 4.31Å; F85-L211 HydrophobicContact CG-CD2 3.93Å; F85-L211 HydrophobicContact CZ-CD1 4.29Å; A98-L211 HydrophobicContact CB-CD1 3.64Å; A98-L211 HydrophobicContact CB-CD2 4.04Å; I105-L211 HydrophobicContact CG2-CD1 3.88Å; L195-L211 HydrophobicContact CD1-CB 4.33Å; K197-L211 HydrophobicContact CB-CD2 4.25Å; L211-I222 CarbonylContact O-C 3.54Å; L211-I222 WeakPolarHBondContact O-CA 3.49Å; L211-Y223 HydrophobicContact CB-CD1 4.42Å; L211-Y223 HydrophobicContact CD1-CD1 4.36Å; L211-Y223 PolarHBondContact N-O 2.87Å; L211-Y223 PolarHBondContact O-N 2.76Å |
| 212 | T | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.7 | 174.5 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | T196 I220 Y221 I222 L243 I255 | T196-T212 HydrophobicContact CG2-CG2 4.28Å; T196-T212 PolarHBondContact N-O 3.34Å; T196-T212 PolarHBondContact O-N 2.78Å; T196-T212 VanDerWaalsContact O-O 3.14Å; T212-I220 HydrophobicContact CG2-CG2 3.72Å; T212-Y221 CarbonylContact C-O 3.54Å; T212-Y221 WeakPolarHBondContact CA-O 3.33Å; T212-I222 HydrophobicContact CG2-CG1 4.25Å; T212-L243 HydrophobicContact CG2-CD1 4.24Å; T212-I255 HydrophobicContact CG2-CD1 4Å |
| 213 | V | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.4 | -162.5 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | I105 L119 V192 L195 T215 I220 Y221 | I105-V213 HydrophobicContact CD1-CB 4.38Å; I105-V213 HydrophobicContact CD1-CG1 4.19Å; I105-V213 HydrophobicContact CD1-CG2 3.34Å; L119-V213 HydrophobicContact CD2-CG1 4.31Å; V192-V213 HydrophobicContact CB-CG1 4.18Å; V192-V213 HydrophobicContact CG1-CG1 3.51Å; V192-V213 HydrophobicContact CG2-CG1 3.74Å; L195-V213 HydrophobicContact CD1-CG2 3.9Å; V213-T215 HydrophobicContact CG1-CG2 4.49Å; V213-I220 CarbonylContact O-C 3.52Å; V213-I220 VanDerWaalsContact O-CA 3.28Å; V213-I220 WeakPolarHBondContact O-CA 3.42Å; V213-Y221 PolarHBondContact N-O 3.01Å; V213-Y221 PolarHBondContact O-N 3.45Å |
| 214 | G | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | V192 T193 C194 F219 | V192-G214 WeakPolarHBondContact CA-O 3.38Å; T193-G214 PolarHBondContact N-O 2.74Å; T193-G214 VanDerWaalsContact OG1-C 3.31Å; T193-G214 PolarHBondContact OG1-O 2.95Å; C194-G214 PolarHBondContact O-N 2.97Å; G214-F219 WeakPolarHBondContact CA-O 3.43Å |
| 215 | T | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.1 | -173 | 71.6 | 0 | 0 | 0 | 0 | 114 | L119 T190 V191 V213 S217 C218 F219 Y221 P240 | L119-T215 HydrophobicContact CD1-CG2 4.17Å; L119-T215 HydrophobicContact CD2-CG2 3.91Å; T190-T215 HydrophobicContact CG2-CG2 4.06Å; T190-T215 WeakPolarHBondContact OG1-CB 3.06Å; V191-T215 CarbonylContact O-C 3.5Å; V191-T215 WeakPolarHBondContact O-CA 3.3Å; V191-T215 WeakPolarHBondContact O-CB 3.36Å; V213-T215 HydrophobicContact CG1-CG2 4.49Å; T215-S217 PolarHBondContact O-N 3Å; T215-S217 VanDerWaalsContact O-N 3.17Å; T215-S217 PolarHBondContact OG1-OG 2.85Å; T215-C218 PolarHBondContact O-N 3.12Å; T215-F219 PolarHBondContact N-O 3.44Å; T215-F219 PolarHBondContact OG1-N 3.48Å; T215-F219 PolarHBondContact OG1-O 3.18Å; T215-Y221 HydrophobicContact CG2-CD2 3.56Å; T215-Y221 HydrophobicContact CG2-CE2 3.61Å; T215-P240 WeakPolarHBondContact O-CD 2.98Å |
| 216 | E | 93.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 20.8 Ų | 20.8 | 36% | 0.36 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.1 | 177.8 | -166.5 | 69.9 | -172.9 | 0 | 0 | 113.2 | V191 T193 C218 V239 R260 | V191-E216 HydrophobicContact CG2-CB 3.58Å; V191-E216 HydrophobicContact CG2-CG 4.15Å; V191-E216 PolarHBondContact O-N 2.96Å; T193-E216 HydrophobicContact CG2-CB 4.17Å; T193-E216 WeakPolarHBondContact CG2-OE2 3.45Å; E216-C218 PolarHBondContact O-N 3.36Å; E216-V239 WeakPolarHBondContact O-CG2 3.19Å; E216-R260 VanDerWaalsContact CD-NH1 3.34Å; E216-R260 IonicContact OE1-CZ 3.05Å; E216-R260 IonicContact OE1-NH1 3Å; E216-R260 PolarHBondContact OE1-NH1 2.88Å; E216-R260 IonicContact OE1-NH2 2.7Å; E216-R260 PolarHBondContact OE1-NH2 3.45Å; E216-R260 IonicContact OE2-CZ 3.95Å; E216-R260 IonicContact OE2-NH1 2.63Å; E216-R260 PolarHBondContact OE2-NH1 2.94Å; E216-R260 IonicContact OE2-NH2 3.07Å; E216-R260 PolarHBondContact OE2-NH2 3.02Å |
| 217 | S | 92.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 17.2 Ų | 17.2 | 22% | 0.224 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 11.9 | 176.3 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | L122 T190 T215 F219 | L122-S217 VanDerWaalsContact CD1-CB 3.45Å; T190-S217 WeakPolarHBondContact CB-OG 3.25Å; T190-S217 WeakPolarHBondContact OG1-CB 3.44Å; T190-S217 PolarHBondContact OG1-N 3.22Å; T190-S217 VanDerWaalsContact OG1-N 3.15Å; T190-S217 PolarHBondContact OG1-OG 2.9Å; T215-S217 PolarHBondContact O-N 3Å; T215-S217 VanDerWaalsContact O-N 3.17Å; T215-S217 PolarHBondContact OG1-OG 2.85Å; S217-F219 VanDerWaalsContact O-CD2 3.24Å; S217-F219 WeakPolarHBondContact O-CD2 3.25Å |
| 218 | C | 94.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 20 Ų | 20 | 20% | 0.203 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 64.3 | 43.2 | -178.7 | -50.2 | 0 | 0 | 0 | 0 | 113 | T215 E216 L236 V239 | T215-C218 PolarHBondContact O-N 3.12Å; E216-C218 PolarHBondContact O-N 3.36Å; C218-L236 HydrophobicContact CB-CB 4.23Å; C218-L236 VanDerWaalsContact CB-O 3.27Å; C218-L236 WeakPolarHBondContact CB-O 3.13Å; C218-L236 WeakPolarHBondContact O-CA 3.43Å; C218-L236 WeakPolarHBondContact O-CB 3.41Å; C218-L236 PolarHBondContact O-N 2.8Å; C218-V239 PolarHBondContact SG-N 3.41Å; C218-V239 VanDerWaalsContact SG-N 3.4Å |
| 219 | F | 95.4 | Very high | 92.9 | Very high | 49 Ų | 49 | 23.5 Ų | 23.5 | 22% | 0.215 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.9 | 171.4 | -73.2 | -88.8 | 0 | 0 | 0 | 111.6 | G214 T215 S217 Y221 E233 V234 A235 | G214-F219 WeakPolarHBondContact CA-O 3.43Å; T215-F219 PolarHBondContact N-O 3.44Å; T215-F219 PolarHBondContact OG1-N 3.48Å; T215-F219 PolarHBondContact OG1-O 3.18Å; S217-F219 VanDerWaalsContact O-CD2 3.24Å; S217-F219 WeakPolarHBondContact O-CD2 3.25Å; F219-Y221 HydrophobicContact CB-CD2 4.37Å; F219-Y221 HydrophobicContact CB-CE2 3.67Å; F219-E233 HydrophobicContact CD1-CG 3.79Å; F219-E233 WeakPolarHBondContact CD1-OE1 3.45Å; F219-E233 HydrophobicContact CE1-CG 4.21Å; F219-E233 WeakPolarHBondContact CE1-OE1 3.31Å; F219-V234 WeakPolarHBondContact CA-O 3.31Å; F219-A235 HydrophobicContact CD1-CB 4.15Å; F219-A235 HydrophobicContact CE1-CB 3.74Å; F219-A235 HydrophobicContact CZ-CB 4.38Å |
| 220 | I | 96.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.6 | 160.4 | -59.9 | -57.2 | 0 | 0 | 0 | 108.6 | T212 V213 E233 V234 L236 P240 L243 V257 I267 | T212-I220 HydrophobicContact CG2-CG2 3.72Å; V213-I220 CarbonylContact O-C 3.52Å; V213-I220 VanDerWaalsContact O-CA 3.28Å; V213-I220 WeakPolarHBondContact O-CA 3.42Å; I220-E233 WeakPolarHBondContact O-CA 3.4Å; I220-V234 HydrophobicContact CB-CB 4.46Å; I220-V234 PolarHBondContact N-O 2.72Å; I220-V234 PolarHBondContact O-N 3.11Å; I220-L236 HydrophobicContact CD1-CD1 3.69Å; I220-L236 HydrophobicContact CG1-CD1 3.62Å; I220-L236 HydrophobicContact CG1-CD2 4.47Å; I220-L236 HydrophobicContact CG1-CG 4.1Å; I220-P240 HydrophobicContact CD1-CB 4Å; I220-P240 HydrophobicContact CD1-CG 4.06Å; I220-L243 HydrophobicContact CD1-CD2 3.63Å; I220-V257 HydrophobicContact CD1-CG1 4.18Å; I220-V257 HydrophobicContact CD1-CG2 4.19Å; I220-V257 HydrophobicContact CG1-CG2 4.19Å; I220-I267 HydrophobicContact CB-CD1 4.31Å; I220-I267 HydrophobicContact CG1-CD1 3.85Å |
| 221 | Y | 95.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.4 | 171.4 | -63.1 | -70.8 | 0 | 0 | 0 | 110.4 | L119 P120 T212 V213 T215 F219 N230 C232 E233 | L119-Y221 HydrophobicContact CD2-CD2 3.64Å; L119-Y221 HydrophobicContact CD2-CE2 4.09Å; L119-Y221 HydrophobicContact CD2-CG 4.41Å; P120-Y221 HydrophobicContact CG-CD1 4.43Å; P120-Y221 HydrophobicContact CG-CE1 3.9Å; T212-Y221 CarbonylContact C-O 3.54Å; T212-Y221 WeakPolarHBondContact CA-O 3.33Å; V213-Y221 PolarHBondContact N-O 3.01Å; V213-Y221 PolarHBondContact O-N 3.45Å; T215-Y221 HydrophobicContact CG2-CD2 3.56Å; T215-Y221 HydrophobicContact CG2-CE2 3.61Å; F219-Y221 HydrophobicContact CB-CD2 4.37Å; F219-Y221 HydrophobicContact CB-CE2 3.67Å; Y221-N230 VanDerWaalsContact CD1-ND2 3.35Å; Y221-N230 WeakPolarHBondContact CD1-ND2 3.36Å; Y221-C232 WeakPolarHBondContact CA-O 3.21Å; Y221-E233 HydrophobicContact CD1-CB 4.04Å; Y221-E233 HydrophobicContact CD1-CG 4.07Å; Y221-E233 HydrophobicContact CE1-CB 3.91Å; Y221-E233 VanDerWaalsContact CE1-CD 3.44Å; Y221-E233 HydrophobicContact CE1-CG 3.5Å; Y221-E233 PolarHBondContact OH-OE1 2.87Å |
| 222 | I | 95.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 114.7 | 169.2 | -55.2 | 178.3 | 0 | 0 | 0 | 107.5 | M198 C210 L211 T212 N230 L231 C232 F249 Y253 I255 | M198-I222 HydrophobicContact SD-CD1 4.21Å; M198-I222 HydrophobicContact SD-CG2 4.45Å; C210-I222 HydrophobicContact CB-CG2 3.93Å; L211-I222 CarbonylContact O-C 3.54Å; L211-I222 WeakPolarHBondContact O-CA 3.49Å; T212-I222 HydrophobicContact CG2-CG1 4.25Å; I222-N230 PolarHBondContact O-OD1 2.94Å; I222-L231 HydrophobicContact CG2-CD1 4.37Å; I222-L231 WeakPolarHBondContact O-CA 3.41Å; I222-L231 WeakPolarHBondContact O-CB 3Å; I222-L231 PolarHBondContact O-N 2.82Å; I222-C232 HydrophobicContact CB-CB 4.05Å; I222-C232 HydrophobicContact CD1-CB 4Å; I222-C232 HydrophobicContact CG1-CB 4.14Å; I222-C232 PolarHBondContact N-O 2.83Å; I222-C232 PolarHBondContact O-N 2.97Å; I222-F249 HydrophobicContact CB-CE2 4.48Å; I222-F249 HydrophobicContact CD1-CD2 3.86Å; I222-F249 HydrophobicContact CD1-CE2 3.98Å; I222-F249 HydrophobicContact CG2-CD2 3.89Å; I222-F249 HydrophobicContact CG2-CE2 4.27Å; I222-Y253 HydrophobicContact CD1-CE2 4.18Å; I222-I255 HydrophobicContact CD1-CD1 3.86Å; I222-I255 HydrophobicContact CG1-CD1 4.48Å |
| 223 | Y | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.9 | -174.1 | 170.1 | -104.8 | 0 | 0 | 0 | 111.5 | Y115 Y117 C210 L211 C225 H228 N229 | Y115-Y223 WeakPolarHBondContact CE1-OH 3.35Å; Y117-Y223 HydrophobicContact CD1-CD2 4.17Å; Y117-Y223 HydrophobicContact CD1-CE2 4.38Å; Y117-Y223 HydrophobicContact CD1-CG 4.31Å; Y117-Y223 AromaticContact CD2-CD2 3.63Å; Y117-Y223 HydrophobicContact CD2-CD2 3.63Å; Y117-Y223 AromaticContact CD2-CE2 3.18Å; Y117-Y223 HydrophobicContact CD2-CE2 3.18Å; Y117-Y223 HydrophobicContact CD2-CG 4.46Å; Y117-Y223 AromaticContact CD2-CZ 3.71Å; Y117-Y223 HydrophobicContact CE1-CD2 4.03Å; Y117-Y223 HydrophobicContact CE1-CG 4.31Å; Y117-Y223 AromaticContact CE2-CD2 3.47Å; Y117-Y223 HydrophobicContact CE2-CD2 3.47Å; Y117-Y223 VanDerWaalsContact CE2-CD2 3.47Å; Y117-Y223 AromaticContact CE2-CE2 3.41Å; Y117-Y223 HydrophobicContact CE2-CE2 3.41Å; Y117-Y223 VanDerWaalsContact CE2-CE2 3.41Å; Y117-Y223 HydrophobicContact CE2-CG 4.47Å; Y117-Y223 AromaticContact CG-CD2 3.96Å; Y117-Y223 HydrophobicContact CG-CD2 3.96Å; Y117-Y223 HydrophobicContact CG-CE1 4.3Å; Y117-Y223 AromaticContact CG-CE2 3.71Å; Y117-Y223 HydrophobicContact CG-CE2 3.71Å; Y117-Y223 HydrophobicContact CG-CG 4.36Å; Y117-Y223 AromaticContact CG-CZ 3.89Å; Y117-Y223 AromaticContact CZ-CD2 3.68Å; C210-Y223 WeakPolarHBondContact CA-O 3.46Å; C210-Y223 WeakPolarHBondContact CB-O 3.19Å; L211-Y223 HydrophobicContact CB-CD1 4.42Å; L211-Y223 HydrophobicContact CD1-CD1 4.36Å; L211-Y223 PolarHBondContact N-O 2.87Å; L211-Y223 PolarHBondContact O-N 2.76Å; Y223-C225 HydrophobicContact CE1-CB 4.19Å; Y223-H228 PolarHBondContact OH-ND1 3.36Å; Y223-N229 WeakPolarHBondContact CD2-O 3.45Å |
| 224 | D | 91.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.4 | 170.3 | -167.4 | -9.1 | 0 | 0 | 0 | 110.6 | K200 W208 V226 T227 H228 N229 L231 | K200-D224 VanDerWaalsContact CD-OD2 3.32Å; K200-D224 WeakPolarHBondContact CD-OD2 3.21Å; K200-D224 WeakPolarHBondContact CE-OD2 3.42Å; W208-D224 PolarHBondContact NE1-OD1 3.44Å; D224-V226 PolarHBondContact O-N 2.91Å; D224-V226 WeakPolarHBondContact OD1-CB 3.39Å; D224-V226 WeakPolarHBondContact OD1-CG2 3.31Å; D224-V226 PolarHBondContact OD1-N 2.81Å; D224-T227 WeakPolarHBondContact CB-OG1 3.43Å; D224-H228 WeakPolarHBondContact O-CA 3.23Å; D224-H228 PolarHBondContact O-N 2.9Å; D224-N229 PolarHBondContact N-O 3.35Å; D224-L231 HydrophobicContact CB-CD1 3.88Å; D224-L231 HydrophobicContact CB-CD2 4.03Å; D224-L231 HydrophobicContact CB-CG 3.94Å |
| 225 | C | 84.7 | Confident | 92 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21.8 | 176.8 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | F85 C87 Y223 H228 | F85-C225 HydrophobicContact CE2-CB 3.73Å; F85-C225 HydrophobicContact CZ-CB 4.13Å; C87-C225 VanDerWaalsContact CA-SG 3.55Å; C87-C225 HydrophobicContact CB-CB 4.31Å; C87-C225 WeakPolarHBondContact CB-SG 3.39Å; C87-C225 WeakPolarHBondContact SG-CB 3.3Å; C87-C225 CovalentContact SG-SG 2.06Å; C87-C225 PolarHBondContact SG-SG 2.81Å; Y223-C225 HydrophobicContact CE1-CB 4.19Å; C225-H228 PolarHBondContact O-CE1 2.88Å; C225-H228 PolarHBondContact O-ND1 3.43Å |
| 226 | V | 85.3 | Confident | 92 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -49.5 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 111 | K88 W208 D224 H228 | K88-V226 HydrophobicContact CB-CB 4.37Å; K88-V226 HydrophobicContact CB-CG1 4.04Å; K88-V226 HydrophobicContact CB-CG2 3.38Å; K88-V226 HydrophobicContact CD-CG1 4.01Å; W208-V226 HydrophobicContact CD2-CG2 4.46Å; W208-V226 HydrophobicContact CG-CG2 4.07Å; D224-V226 PolarHBondContact O-N 2.91Å; D224-V226 WeakPolarHBondContact OD1-CB 3.39Å; D224-V226 WeakPolarHBondContact OD1-CG2 3.31Å; D224-V226 PolarHBondContact OD1-N 2.81Å; V226-H228 VanDerWaalsContact C-N 3.31Å |
| 227 | T | 85.8 | Confident | 92 | Very high | 67 Ų | 67 | 37.3 Ų | 37.3 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6 | 179.8 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | D224 N229 | D224-T227 WeakPolarHBondContact CB-OG1 3.43Å; T227-N229 PolarHBondContact O-N 3.22Å; T227-N229 PolarHBondContact O-OD1 3.48Å |
| 228 | H | 84.1 | Confident | 92.2 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30 | -175.5 | -57.3 | -66.1 | 0 | 0 | 0 | 113.9 | Y115 Y223 D224 C225 V226 | Y115-H228 AromaticContact CD1-CE1 3.96Å; Y115-H228 AromaticContact CD1-ND1 3.77Å; Y115-H228 AromaticContact CD2-CE1 3.61Å; Y115-H228 AromaticContact CD2-ND1 3.91Å; Y115-H228 AromaticContact CE1-CE1 3.99Å; Y115-H228 AromaticContact CE1-ND1 3.38Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.33Å; Y115-H228 AromaticContact CE2-CE1 3.64Å; Y115-H228 AromaticContact CE2-ND1 3.54Å; Y115-H228 AromaticContact CG-CE1 3.77Å; Y115-H228 AromaticContact CZ-CE1 3.83Å; Y115-H228 AromaticContact CZ-CG 3.86Å; Y115-H228 AromaticContact CZ-ND1 3.26Å; Y115-H228 VanDerWaalsContact CZ-ND1 3.26Å; Y223-H228 PolarHBondContact OH-ND1 3.36Å; D224-H228 WeakPolarHBondContact O-CA 3.23Å; D224-H228 PolarHBondContact O-N 2.9Å; C225-H228 PolarHBondContact O-CE1 2.88Å; C225-H228 PolarHBondContact O-ND1 3.43Å; V226-H228 VanDerWaalsContact C-N 3.31Å |
| 229 | N | 88.9 | Confident | 92.3 | Very high | 95 Ų | 95 | 36.1 Ų | 36.1 | 51% | 0.508 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 145.2 | -176.8 | -67.7 | -29.3 | 0 | 0 | 0 | 111 | Y223 D224 T227 L231 | Y223-N229 WeakPolarHBondContact CD2-O 3.45Å; D224-N229 PolarHBondContact N-O 3.35Å; T227-N229 PolarHBondContact O-N 3.22Å; T227-N229 PolarHBondContact O-OD1 3.48Å; N229-L231 PolarHBondContact O-N 3Å |
| 230 | N | 90.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113.7 | 161.7 | -175 | 25 | 0 | 0 | 0 | 108.6 | Y221 I222 C232 | Y221-N230 VanDerWaalsContact CD1-ND2 3.35Å; Y221-N230 WeakPolarHBondContact CD1-ND2 3.36Å; I222-N230 PolarHBondContact O-OD1 2.94Å; N230-C232 PolarHBondContact OD1-O 3.06Å |
| 231 | L | 92.5 | Very high | 92.4 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -31.4 | -177.3 | -59.7 | -179.3 | 0 | 0 | 0 | 112.6 | I222 D224 N229 F249 | I222-L231 HydrophobicContact CG2-CD1 4.37Å; I222-L231 WeakPolarHBondContact O-CA 3.41Å; I222-L231 WeakPolarHBondContact O-CB 3Å; I222-L231 PolarHBondContact O-N 2.82Å; D224-L231 HydrophobicContact CB-CD1 3.88Å; D224-L231 HydrophobicContact CB-CD2 4.03Å; D224-L231 HydrophobicContact CB-CG 3.94Å; N229-L231 PolarHBondContact O-N 3Å; L231-F249 HydrophobicContact CB-CE1 3.84Å; L231-F249 HydrophobicContact CB-CE2 4.05Å; L231-F249 HydrophobicContact CB-CZ 3.55Å; L231-F249 HydrophobicContact CD1-CD1 3.67Å; L231-F249 HydrophobicContact CD1-CE1 3.72Å; L231-F249 HydrophobicContact CD1-CG 4.1Å; L231-F249 HydrophobicContact CD1-CZ 4.18Å; L231-F249 HydrophobicContact CG-CE1 4.28Å; L231-F249 HydrophobicContact CG-CZ 4.46Å |
| 232 | C | 92 | Very high | 92.5 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 140.8 | -174.4 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | Y221 I222 N230 F249 | Y221-C232 WeakPolarHBondContact CA-O 3.21Å; I222-C232 HydrophobicContact CB-CB 4.05Å; I222-C232 HydrophobicContact CD1-CB 4Å; I222-C232 HydrophobicContact CG1-CB 4.14Å; I222-C232 PolarHBondContact N-O 2.83Å; I222-C232 PolarHBondContact O-N 2.97Å; N230-C232 PolarHBondContact OD1-O 3.06Å; C232-F249 HydrophobicContact CB-CE2 3.85Å; C232-F249 HydrophobicContact CB-CZ 4.3Å |
| 233 | E | 93.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 46% | 0.458 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.1 | 175.5 | 174.3 | 170.5 | -179.4 | 0 | 0 | 108.8 | F219 I220 Y221 | F219-E233 HydrophobicContact CD1-CG 3.79Å; F219-E233 WeakPolarHBondContact CD1-OE1 3.45Å; F219-E233 HydrophobicContact CE1-CG 4.21Å; F219-E233 WeakPolarHBondContact CE1-OE1 3.31Å; I220-E233 WeakPolarHBondContact O-CA 3.4Å; Y221-E233 HydrophobicContact CD1-CB 4.04Å; Y221-E233 HydrophobicContact CD1-CG 4.07Å; Y221-E233 HydrophobicContact CE1-CB 3.91Å; Y221-E233 VanDerWaalsContact CE1-CD 3.44Å; Y221-E233 HydrophobicContact CE1-CG 3.5Å; Y221-E233 PolarHBondContact OH-OE1 2.87Å |
| 234 | V | 95 | Very high | 92.7 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.1 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | F219 I220 I267 A274 | F219-V234 WeakPolarHBondContact CA-O 3.31Å; I220-V234 HydrophobicContact CB-CB 4.46Å; I220-V234 PolarHBondContact N-O 2.72Å; I220-V234 PolarHBondContact O-N 3.11Å; V234-I267 HydrophobicContact CB-CD1 4.28Å; V234-I267 HydrophobicContact CG1-CD1 3.96Å; V234-I267 HydrophobicContact CG1-CG1 4.3Å; V234-I267 HydrophobicContact CG1-CG2 4.39Å; V234-I267 HydrophobicContact CG2-CG2 4.19Å; V234-A274 HydrophobicContact CG1-CB 4.44Å |
| 235 | A | 94.7 | Very high | 92.9 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 140.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F219 | F219-A235 HydrophobicContact CD1-CB 4.15Å; F219-A235 HydrophobicContact CE1-CB 3.74Å; F219-A235 HydrophobicContact CZ-CB 4.38Å |
| 236 | L | 95.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | trans | -115.4 | 149.6 | 176.6 | -69.2 | 170.2 | 0 | 0 | 0 | 111 | C218 I220 S238 P240 V257 Y265 I267 A274 | C218-L236 HydrophobicContact CB-CB 4.23Å; C218-L236 VanDerWaalsContact CB-O 3.27Å; C218-L236 WeakPolarHBondContact CB-O 3.13Å; C218-L236 WeakPolarHBondContact O-CA 3.43Å; C218-L236 WeakPolarHBondContact O-CB 3.41Å; C218-L236 PolarHBondContact O-N 2.8Å; I220-L236 HydrophobicContact CD1-CD1 3.69Å; I220-L236 HydrophobicContact CG1-CD1 3.62Å; I220-L236 HydrophobicContact CG1-CD2 4.47Å; I220-L236 HydrophobicContact CG1-CG 4.1Å; L236-S238 WeakPolarHBondContact CB-O 3.25Å; L236-S238 PolarHBondContact O-N 3.49Å; L236-P240 HydrophobicContact CD1-CB 3.77Å; L236-P240 HydrophobicContact CD1-CG 3.79Å; L236-V257 HydrophobicContact CD1-CG1 3.91Å; L236-Y265 HydrophobicContact CD2-CG 4.49Å; L236-I267 HydrophobicContact CD2-CD1 4.28Å; L236-A274 HydrophobicContact CD2-CB 3.5Å | ||
| 237 | P | 94.7 | Very high | 93.7 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 57% | 0.571 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -71.4 | -14.7 | 173.9 | -20.8 | 35.1 | 0 | 0 | 0 | 114.4 | Y265 | P237-Y265 HydrophobicContact CB-CE1 4.26Å; P237-Y265 HydrophobicContact CG-CD1 4.3Å; P237-Y265 HydrophobicContact CG-CE1 3.59Å |
| 238 | S | 95.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -154.8 | 163.5 | -177.6 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | L236 C259 N261 | L236-S238 WeakPolarHBondContact CB-O 3.25Å; L236-S238 PolarHBondContact O-N 3.49Å; S238-C259 PolarHBondContact O-SG 2.93Å; S238-N261 VanDerWaalsContact CB-CG 3.45Å; S238-N261 WeakPolarHBondContact CB-ND2 3.25Å; S238-N261 PolarHBondContact OG-N 3.16Å |
| 239 | V | 96.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | trans | -66.2 | 122.5 | -174.2 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | T193 E216 C218 C259 R260 | T193-V239 HydrophobicContact CG2-CG1 3.83Å; E216-V239 WeakPolarHBondContact O-CG2 3.19Å; C218-V239 PolarHBondContact SG-N 3.41Å; C218-V239 VanDerWaalsContact SG-N 3.4Å; V239-C259 CarbonylContact O-C 3.6Å; V239-C259 WeakPolarHBondContact O-CA 3.35Å; V239-C259 WeakPolarHBondContact O-CB 3.49Å; V239-R260 HydrophobicContact CB-CB 4.45Å; V239-R260 HydrophobicContact CB-CG 4.02Å; V239-R260 HydrophobicContact CG1-CG 4.37Å; V239-R260 PolarHBondContact O-N 2.98Å | ||
| 240 | P | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 146.1 | 176.7 | 29.5 | -35.3 | 0 | 0 | 0 | 112 | T193 T215 I220 L236 V257 T258 | T193-P240 VanDerWaalsContact CB-O 3.25Å; T193-P240 WeakPolarHBondContact CB-O 3.36Å; T193-P240 PolarHBondContact OG1-O 2.88Å; T215-P240 WeakPolarHBondContact O-CD 2.98Å; I220-P240 HydrophobicContact CD1-CB 4Å; I220-P240 HydrophobicContact CD1-CG 4.06Å; L236-P240 HydrophobicContact CD1-CB 3.77Å; L236-P240 HydrophobicContact CD1-CG 3.79Å; P240-V257 HydrophobicContact CB-CG1 3.52Å; P240-T258 CarbonylContact C-O 3.56Å; P240-T258 WeakPolarHBondContact CA-O 3.27Å |
| 241 | V | 97.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -43 | -177.7 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | C194 T258 R260 | C194-V241 WeakPolarHBondContact CB-O 3.49Å; V241-T258 PolarHBondContact N-O 3.05Å; V241-R260 HydrophobicContact CG2-CB 4.37Å; V241-R260 HydrophobicContact CG2-CG 3.44Å; V241-R260 VanDerWaalsContact CG2-CG 3.44Å |
| 242 | H | 97.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.9 | 175.9 | -46.9 | 91.6 | 0 | 0 | 0 | 110.7 | T258 I285 L287 | H242-T258 WeakPolarHBondContact CA-OG1 3.17Å; H242-T258 HydrophobicContact CB-CG2 4.44Å; H242-T258 WeakPolarHBondContact CB-OG1 3.35Å; H242-T258 PolarHBondContact N-OG1 3.04Å; H242-T258 PolarHBondContact ND1-OG1 2.87Å; H242-T258 PolarHBondContact O-N 3.37Å; H242-T258 PolarHBondContact O-OG1 3.26Å; H242-I285 VanDerWaalsContact CE1-C 3.49Å; H242-I285 PolarHBondContact CE1-O 3.25Å; H242-I285 PolarHBondContact NE2-O 2.86Å; H242-L287 HydrophobicContact CB-CB 4.21Å |
| 243 | L | 97.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.9 | 179.7 | -59.9 | 172.7 | 0 | 0 | 0 | 110.7 | C194 T196 T212 I220 I255 V257 | C194-L243 HydrophobicContact CB-CD1 4.42Å; C194-L243 HydrophobicContact CB-CG 4.32Å; C194-L243 VanDerWaalsContact SG-CG 3.52Å; T196-L243 HydrophobicContact CG2-CB 3.47Å; T196-L243 VanDerWaalsContact CG2-CB 3.47Å; T196-L243 HydrophobicContact CG2-CD1 3.99Å; T196-L243 HydrophobicContact CG2-CG 4.36Å; T212-L243 HydrophobicContact CG2-CD1 4.24Å; I220-L243 HydrophobicContact CD1-CD2 3.63Å; L243-I255 HydrophobicContact CD2-CG2 4.44Å; L243-V257 HydrophobicContact CD2-CB 4.15Å; L243-V257 HydrophobicContact CD2-CG1 3.8Å; L243-V257 HydrophobicContact CD2-CG2 3.69Å |
| 244 | N | 96 | Very high | 95.2 | Very high | 33 Ų | 33 | 38 Ų | 38 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 104 | 166.3 | -173.2 | -77.9 | 0 | 0 | 0 | 108.4 | I255 L256 L287 R289 | N244-I255 WeakPolarHBondContact O-CA 3.43Å; N244-L256 HydrophobicContact CB-CB 4.48Å; N244-L256 PolarHBondContact N-O 2.7Å; N244-L256 PolarHBondContact O-N 2.94Å; N244-L287 HydrophobicContact CB-CD2 3.61Å; N244-L287 HydrophobicContact CB-CG 4.16Å; N244-R289 WeakPolarHBondContact OD1-CB 3.42Å; N244-R289 WeakPolarHBondContact OD1-CD 3.35Å |
| 245 | A | 95.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 13% | 0.132 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T196 M198 I255 | T196-A245 HydrophobicContact CG2-CB 3.8Å; M198-A245 HydrophobicContact CB-CB 4.01Å; M198-A245 HydrophobicContact SD-CB 4.42Å; A245-I255 HydrophobicContact CB-CG1 3.88Å; A245-I255 HydrophobicContact CB-CG2 4.47Å |
| 246 | I | 93.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 160.3 | 173 | 66.3 | 160.5 | 0 | 0 | 0 | 110.9 | Y253 H254 R289 | I246-Y253 VanDerWaalsContact O-CA 3.31Å; I246-Y253 WeakPolarHBondContact O-CA 3.43Å; I246-Y253 WeakPolarHBondContact O-CB 3.23Å; I246-H254 HydrophobicContact CG1-CB 4.21Å; I246-H254 WeakPolarHBondContact CG1-O 3.44Å; I246-H254 PolarHBondContact N-O 3.06Å; I246-H254 VanDerWaalsContact N-O 3.13Å; I246-H254 PolarHBondContact O-N 3.11Å; I246-H254 VanDerWaalsContact O-N 3.09Å; I246-R289 VanDerWaalsContact CD1-NH2 3.29Å |
| 247 | G | 93.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 35 Ų | 35 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.2 | -153.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D252 | G247-D252 CarbonylContact C-O 3.59Å; G247-D252 WeakPolarHBondContact CA-O 3.1Å |
| 248 | S | 94.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 139.4 | -179.2 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | S199 Q201 D250 I251 D252 | S199-S248 CarbonylContact O-C 3.53Å; S199-S248 WeakPolarHBondContact O-CA 3.3Å; Q201-S248 VanDerWaalsContact O-CB 3.3Å; Q201-S248 WeakPolarHBondContact O-CB 3.3Å; S248-D250 VanDerWaalsContact C-N 3.32Å; S248-D250 PolarHBondContact O-N 2.91Å; S248-I251 PolarHBondContact O-N 3.41Å; S248-D252 PolarHBondContact N-O 3.01Å; S248-D252 CarbonylContact O-C 3.56Å; S248-D252 VanDerWaalsContact O-C 3.27Å; S248-D252 PolarHBondContact O-N 2.98Å; S248-D252 VanDerWaalsContact O-N 3.09Å; S248-D252 VanDerWaalsContact O-O 3.07Å |
| 249 | F | 93.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 30 Ų | 30 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -40 | -174.2 | 179.6 | -98 | 0 | 0 | 0 | 113 | M198 S199 K200 I222 L231 C232 Y253 R269 | M198-F249 HydrophobicContact CE-CB 3.85Å; M198-F249 VanDerWaalsContact CE-N 3.32Å; S199-F249 PolarHBondContact O-N 2.82Å; K200-F249 CarbonylContact O-C 3.6Å; K200-F249 PolarHBondContact O-N 3.3Å; I222-F249 HydrophobicContact CB-CE2 4.48Å; I222-F249 HydrophobicContact CD1-CD2 3.86Å; I222-F249 HydrophobicContact CD1-CE2 3.98Å; I222-F249 HydrophobicContact CG2-CD2 3.89Å; I222-F249 HydrophobicContact CG2-CE2 4.27Å; L231-F249 HydrophobicContact CB-CE1 3.84Å; L231-F249 HydrophobicContact CB-CE2 4.05Å; L231-F249 HydrophobicContact CB-CZ 3.55Å; L231-F249 HydrophobicContact CD1-CD1 3.67Å; L231-F249 HydrophobicContact CD1-CE1 3.72Å; L231-F249 HydrophobicContact CD1-CG 4.1Å; L231-F249 HydrophobicContact CD1-CZ 4.18Å; L231-F249 HydrophobicContact CG-CE1 4.28Å; L231-F249 HydrophobicContact CG-CZ 4.46Å; C232-F249 HydrophobicContact CB-CE2 3.85Å; C232-F249 HydrophobicContact CB-CZ 4.3Å; F249-Y253 HydrophobicContact CD2-CD1 4.2Å; F249-Y253 AromaticContact CD2-CE1 3.77Å; F249-Y253 HydrophobicContact CD2-CE1 3.77Å; F249-Y253 HydrophobicContact CE2-CE1 4.04Å; F249-R269 VanDerWaalsContact O-CZ 3.32Å; F249-R269 PolarHBondContact O-NH1 3.03Å |
| 250 | D | 92.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 31% | 0.305 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -14.2 | -176.7 | -67 | -22.8 | 0 | 0 | 0 | 113.7 | K200 Q201 S248 R269 | K200-D250 IonicContact NZ-OD1 2.68Å; K200-D250 PolarHBondContact NZ-OD1 2.88Å; K200-D250 IonicContact NZ-OD2 2.87Å; K200-D250 PolarHBondContact NZ-OD2 2.79Å; K200-D250 WeakPolarHBondContact O-CB 3.29Å; K200-D250 PolarHBondContact O-N 2.89Å; Q201-D250 HydrophobicContact CG-CB 4.44Å; Q201-D250 WeakPolarHBondContact CG-OD2 3.12Å; S248-D250 VanDerWaalsContact C-N 3.32Å; S248-D250 PolarHBondContact O-N 2.91Å; D250-R269 PolarHBondContact O-NH1 2.89Å; D250-R269 PolarHBondContact O-NH2 2.74Å |
| 251 | I | 93 | Very high | 95.7 | Very high | 114 Ų | 114 | 37.5 Ų | 37.5 | 59% | 0.585 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -105.4 | -79.6 | 176.5 | -59.1 | 173 | 0 | 0 | 0 | 111.2 | Q201 H202 S248 R269 | Q201-I251 WeakPolarHBondContact O-CD1 2.84Å; Q201-I251 VanDerWaalsContact O-CG1 3.23Å; Q201-I251 WeakPolarHBondContact O-CG1 3.34Å; H202-I251 HydrophobicContact CB-CD1 4.42Å; S248-I251 PolarHBondContact O-N 3.41Å; I251-R269 WeakPolarHBondContact O-CD 3.37Å; I251-R269 PolarHBondContact O-NH1 2.93Å |
| 252 | D | 94.2 | Very high | 95.6 | Very high | 103 Ų | 103 | 35.6 Ų | 35.6 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | trans | -156.7 | 140.9 | 177.1 | -173.3 | 27.1 | 0 | 0 | 0 | 108.7 | G247 S248 | G247-D252 CarbonylContact C-O 3.59Å; G247-D252 WeakPolarHBondContact CA-O 3.1Å; S248-D252 PolarHBondContact N-O 3.01Å; S248-D252 CarbonylContact O-C 3.56Å; S248-D252 VanDerWaalsContact O-C 3.27Å; S248-D252 PolarHBondContact O-N 2.98Å; S248-D252 VanDerWaalsContact O-N 3.09Å; S248-D252 VanDerWaalsContact O-O 3.07Å | ||
| 253 | Y | 95.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.3 | -178.8 | 68.4 | -98.5 | 0 | 0 | 0 | 111.4 | M198 I222 I246 F249 I255 I267 R269 | M198-Y253 HydrophobicContact CE-CD1 3.98Å; M198-Y253 HydrophobicContact CE-CD2 4.34Å; M198-Y253 HydrophobicContact CE-CG 3.65Å; I222-Y253 HydrophobicContact CD1-CE2 4.18Å; I246-Y253 VanDerWaalsContact O-CA 3.31Å; I246-Y253 WeakPolarHBondContact O-CA 3.43Å; I246-Y253 WeakPolarHBondContact O-CB 3.23Å; F249-Y253 HydrophobicContact CD2-CD1 4.2Å; F249-Y253 AromaticContact CD2-CE1 3.77Å; F249-Y253 HydrophobicContact CD2-CE1 3.77Å; F249-Y253 HydrophobicContact CE2-CE1 4.04Å; Y253-I255 HydrophobicContact CD2-CD1 3.79Å; Y253-I255 HydrophobicContact CD2-CG1 3.91Å; Y253-I255 HydrophobicContact CE2-CD1 3.77Å; Y253-I255 HydrophobicContact CE2-CG1 4.33Å; Y253-I267 HydrophobicContact CE2-CG2 4.37Å; Y253-R269 HydrophobicContact CD1-CB 3.93Å; Y253-R269 HydrophobicContact CD1-CG 4.22Å; Y253-R269 HydrophobicContact CE1-CB 3.8Å; Y253-R269 HydrophobicContact CE1-CG 3.85Å; Y253-R269 HydrophobicContact CG-CB 4.48Å; Y253-R269 PolarHBondContact O-N 2.72Å |
| 254 | H | 95.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 116.7 | 173.4 | -179 | -164.4 | 0 | 0 | 0 | 108.6 | I246 L256 S266 I267 R289 | I246-H254 HydrophobicContact CG1-CB 4.21Å; I246-H254 WeakPolarHBondContact CG1-O 3.44Å; I246-H254 PolarHBondContact N-O 3.06Å; I246-H254 VanDerWaalsContact N-O 3.13Å; I246-H254 PolarHBondContact O-N 3.11Å; I246-H254 VanDerWaalsContact O-N 3.09Å; H254-L256 VanDerWaalsContact NE2-CD2 3.33Å; H254-L256 WeakPolarHBondContact NE2-CD2 3.11Å; H254-S266 PolarHBondContact CD2-OG 3.27Å; H254-S266 PolarHBondContact NE2-OG 3.3Å; H254-I267 WeakPolarHBondContact CA-O 3.31Å; H254-R289 PolarHBondContact ND1-NH1 2.81Å; H254-R289 PolarHBondContact ND1-NH2 3.04Å |
| 255 | I | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.3 | 177.4 | -55.9 | 160.2 | 0 | 0 | 0 | 108 | M198 T212 I222 L243 N244 A245 Y253 V257 I267 | M198-I255 HydrophobicContact SD-CD1 4.34Å; T212-I255 HydrophobicContact CG2-CD1 4Å; I222-I255 HydrophobicContact CD1-CD1 3.86Å; I222-I255 HydrophobicContact CG1-CD1 4.48Å; L243-I255 HydrophobicContact CD2-CG2 4.44Å; N244-I255 WeakPolarHBondContact O-CA 3.43Å; A245-I255 HydrophobicContact CB-CG1 3.88Å; A245-I255 HydrophobicContact CB-CG2 4.47Å; Y253-I255 HydrophobicContact CD2-CD1 3.79Å; Y253-I255 HydrophobicContact CD2-CG1 3.91Å; Y253-I255 HydrophobicContact CE2-CD1 3.77Å; Y253-I255 HydrophobicContact CE2-CG1 4.33Å; I255-V257 HydrophobicContact CG2-CG2 3.83Å; I255-I267 HydrophobicContact CB-CB 4.3Å; I255-I267 PolarHBondContact N-O 2.88Å; I255-I267 PolarHBondContact O-N 2.87Å |
| 256 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.4 | 166.2 | -67.6 | 178.9 | 0 | 0 | 0 | 109.2 | N244 H254 Y265 Y277 L287 V294 | N244-L256 HydrophobicContact CB-CB 4.48Å; N244-L256 PolarHBondContact N-O 2.7Å; N244-L256 PolarHBondContact O-N 2.94Å; H254-L256 VanDerWaalsContact NE2-CD2 3.33Å; H254-L256 WeakPolarHBondContact NE2-CD2 3.11Å; L256-Y265 WeakPolarHBondContact CA-O 3.47Å; L256-Y277 HydrophobicContact CD2-CD1 4.36Å; L256-Y277 HydrophobicContact CD2-CD2 3.92Å; L256-Y277 HydrophobicContact CD2-CE2 4.1Å; L256-Y277 HydrophobicContact CD2-CG 4.03Å; L256-L287 HydrophobicContact CB-CD2 3.84Å; L256-V294 HydrophobicContact CD1-CB 4.4Å; L256-V294 HydrophobicContact CD1-CG1 3.94Å; L256-V294 HydrophobicContact CD1-CG2 3.49Å; L256-V294 VanDerWaalsContact CD1-CG2 3.49Å |
| 257 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.6 | -175.9 | -174 | 0 | 0 | 0 | 0 | 108.7 | I220 L236 P240 L243 I255 I264 Y265 I267 | I220-V257 HydrophobicContact CD1-CG1 4.18Å; I220-V257 HydrophobicContact CD1-CG2 4.19Å; I220-V257 HydrophobicContact CG1-CG2 4.19Å; L236-V257 HydrophobicContact CD1-CG1 3.91Å; P240-V257 HydrophobicContact CB-CG1 3.52Å; L243-V257 HydrophobicContact CD2-CB 4.15Å; L243-V257 HydrophobicContact CD2-CG1 3.8Å; L243-V257 HydrophobicContact CD2-CG2 3.69Å; I255-V257 HydrophobicContact CG2-CG2 3.83Å; V257-I264 CarbonylContact O-C 3.53Å; V257-I264 VanDerWaalsContact O-CA 3.3Å; V257-I264 WeakPolarHBondContact O-CA 3.33Å; V257-Y265 PolarHBondContact N-O 2.84Å; V257-Y265 PolarHBondContact O-N 3.18Å; V257-I267 HydrophobicContact CG2-CD1 3.88Å |
| 258 | T | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.1 | 167.7 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | P240 V241 H242 I264 I284 L287 | P240-T258 CarbonylContact C-O 3.56Å; P240-T258 WeakPolarHBondContact CA-O 3.27Å; V241-T258 PolarHBondContact N-O 3.05Å; H242-T258 WeakPolarHBondContact CA-OG1 3.17Å; H242-T258 HydrophobicContact CB-CG2 4.44Å; H242-T258 WeakPolarHBondContact CB-OG1 3.35Å; H242-T258 PolarHBondContact N-OG1 3.04Å; H242-T258 PolarHBondContact ND1-OG1 2.87Å; H242-T258 PolarHBondContact O-N 3.37Å; H242-T258 PolarHBondContact O-OG1 3.26Å; T258-I264 HydrophobicContact CG2-CG1 4.25Å; T258-I284 HydrophobicContact CG2-CD1 3.91Å; T258-I284 HydrophobicContact CG2-CG2 3.83Å; T258-L287 HydrophobicContact CG2-CB 3.73Å; T258-L287 HydrophobicContact CG2-CD1 4.18Å; T258-L287 HydrophobicContact CG2-CD2 3.92Å; T258-L287 HydrophobicContact CG2-CG 4.15Å |
| 259 | C | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 164 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | S238 V239 N261 G262 I263 Y265 | S238-C259 PolarHBondContact O-SG 2.93Å; V239-C259 CarbonylContact O-C 3.6Å; V239-C259 WeakPolarHBondContact O-CA 3.35Å; V239-C259 WeakPolarHBondContact O-CB 3.49Å; C259-N261 VanDerWaalsContact CB-OD1 3.22Å; C259-N261 WeakPolarHBondContact CB-OD1 3.39Å; C259-N261 PolarHBondContact O-N 3.43Å; C259-N261 VanDerWaalsContact O-N 3.11Å; C259-G262 PolarHBondContact O-N 3.13Å; C259-I263 PolarHBondContact N-O 2.72Å; C259-Y265 HydrophobicContact CB-CD2 4.18Å; C259-Y265 HydrophobicContact CB-CE2 3.89Å; C259-Y265 VanDerWaalsContact SG-CD2 3.51Å |
| 260 | R | 95.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.6 | -178.5 | -70.7 | -170.8 | -175.4 | 156.8 | 4 | 115 | E216 V239 V241 G262 Q283 | E216-R260 VanDerWaalsContact CD-NH1 3.34Å; E216-R260 IonicContact OE1-CZ 3.05Å; E216-R260 IonicContact OE1-NH1 3Å; E216-R260 PolarHBondContact OE1-NH1 2.88Å; E216-R260 IonicContact OE1-NH2 2.7Å; E216-R260 PolarHBondContact OE1-NH2 3.45Å; E216-R260 IonicContact OE2-CZ 3.95Å; E216-R260 IonicContact OE2-NH1 2.63Å; E216-R260 PolarHBondContact OE2-NH1 2.94Å; E216-R260 IonicContact OE2-NH2 3.07Å; E216-R260 PolarHBondContact OE2-NH2 3.02Å; V239-R260 HydrophobicContact CB-CB 4.45Å; V239-R260 HydrophobicContact CB-CG 4.02Å; V239-R260 HydrophobicContact CG1-CG 4.37Å; V239-R260 PolarHBondContact O-N 2.98Å; V241-R260 HydrophobicContact CG2-CB 4.37Å; V241-R260 HydrophobicContact CG2-CG 3.44Å; V241-R260 VanDerWaalsContact CG2-CG 3.44Å; R260-G262 VanDerWaalsContact C-N 3.27Å; R260-Q283 PolarHBondContact O-NE2 2.62Å; R260-Q283 PolarHBondContact O-OE1 2.72Å; R260-Q283 VanDerWaalsContact O-OE1 3.06Å |
| 261 | N | 95.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.8 | 172.8 | 63.3 | -11.8 | 0 | 0 | 0 | 113.3 | S238 C259 I263 Y265 | S238-N261 VanDerWaalsContact CB-CG 3.45Å; S238-N261 WeakPolarHBondContact CB-ND2 3.25Å; S238-N261 PolarHBondContact OG-N 3.16Å; C259-N261 VanDerWaalsContact CB-OD1 3.22Å; C259-N261 WeakPolarHBondContact CB-OD1 3.39Å; C259-N261 PolarHBondContact O-N 3.43Å; C259-N261 VanDerWaalsContact O-N 3.11Å; N261-I263 PolarHBondContact O-N 2.77Å; N261-I263 WeakPolarHBondContact OD1-CB 3.32Å; N261-I263 PolarHBondContact OD1-N 2.64Å; N261-Y265 PolarHBondContact ND2-OH 3.09Å |
| 262 | G | 94.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 74.2 | 14.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C259 R260 T280 | C259-G262 PolarHBondContact O-N 3.13Å; R260-G262 VanDerWaalsContact C-N 3.27Å; G262-T280 PolarHBondContact O-N 2.99Å; G262-T280 PolarHBondContact O-OG1 3.09Å |
| 263 | I | 97.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 142.5 | 176.9 | -55.2 | -174.4 | 0 | 0 | 0 | 109.2 | C259 N261 Y265 V276 E279 | C259-I263 PolarHBondContact N-O 2.72Å; N261-I263 PolarHBondContact O-N 2.77Å; N261-I263 WeakPolarHBondContact OD1-CB 3.32Å; N261-I263 PolarHBondContact OD1-N 2.64Å; I263-Y265 HydrophobicContact CB-CE2 3.89Å; I263-Y265 HydrophobicContact CG2-CD1 4.45Å; I263-Y265 HydrophobicContact CG2-CD2 4.34Å; I263-Y265 HydrophobicContact CG2-CE1 3.95Å; I263-Y265 HydrophobicContact CG2-CE2 3.84Å; I263-V276 HydrophobicContact CG2-CG1 3.97Å; I263-E279 HydrophobicContact CD1-CG 4.04Å; I263-E279 HydrophobicContact CG1-CG 4.04Å; I263-E279 HydrophobicContact CG2-CG 4.34Å |
| 264 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.8 | 170.9 | -47.6 | -179.5 | 0 | 0 | 0 | 107.2 | V257 T258 Y277 V278 T280 I284 V296 | V257-I264 CarbonylContact O-C 3.53Å; V257-I264 VanDerWaalsContact O-CA 3.3Å; V257-I264 WeakPolarHBondContact O-CA 3.33Å; T258-I264 HydrophobicContact CG2-CG1 4.25Å; I264-Y277 HydrophobicContact CB-CD1 4.2Å; I264-Y277 HydrophobicContact CG2-CD1 3.96Å; I264-Y277 HydrophobicContact CG2-CG 4.41Å; I264-Y277 WeakPolarHBondContact O-CA 3.29Å; I264-Y277 WeakPolarHBondContact O-CB 3.31Å; I264-Y277 PolarHBondContact O-N 3.34Å; I264-V278 HydrophobicContact CD1-CB 4.49Å; I264-V278 PolarHBondContact N-O 3.08Å; I264-V278 PolarHBondContact O-N 2.8Å; I264-T280 HydrophobicContact CD1-CG2 4Å; I264-T280 HydrophobicContact CG1-CG2 4.19Å; I264-I284 HydrophobicContact CD1-CD1 4.29Å; I264-I284 HydrophobicContact CG1-CD1 3.71Å; I264-V296 HydrophobicContact CD1-CG1 4.27Å; I264-V296 HydrophobicContact CD1-CG2 3.52Å |
| 265 | Y | 97.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.5 | 173.6 | -60.8 | -84.6 | 0 | 0 | 0 | 110.7 | L236 P237 L256 V257 C259 N261 I263 K275 V276 | L236-Y265 HydrophobicContact CD2-CG 4.49Å; P237-Y265 HydrophobicContact CB-CE1 4.26Å; P237-Y265 HydrophobicContact CG-CD1 4.3Å; P237-Y265 HydrophobicContact CG-CE1 3.59Å; L256-Y265 WeakPolarHBondContact CA-O 3.47Å; V257-Y265 PolarHBondContact N-O 2.84Å; V257-Y265 PolarHBondContact O-N 3.18Å; C259-Y265 HydrophobicContact CB-CD2 4.18Å; C259-Y265 HydrophobicContact CB-CE2 3.89Å; C259-Y265 VanDerWaalsContact SG-CD2 3.51Å; N261-Y265 PolarHBondContact ND2-OH 3.09Å; I263-Y265 HydrophobicContact CB-CE2 3.89Å; I263-Y265 HydrophobicContact CG2-CD1 4.45Å; I263-Y265 HydrophobicContact CG2-CD2 4.34Å; I263-Y265 HydrophobicContact CG2-CE1 3.95Å; I263-Y265 HydrophobicContact CG2-CE2 3.84Å; Y265-K275 CarbonylContact C-O 3.51Å; Y265-K275 VanDerWaalsContact CA-O 3.24Å; Y265-K275 WeakPolarHBondContact CA-O 3.32Å; Y265-V276 HydrophobicContact CD1-CG2 4.19Å; Y265-V276 HydrophobicContact CE1-CG2 3.72Å |
| 266 | S | 97 | Very high | 94.4 | Very high | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.7 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | H254 K275 | H254-S266 PolarHBondContact CD2-OG 3.27Å; H254-S266 PolarHBondContact NE2-OG 3.3Å; S266-K275 PolarHBondContact N-O 3.12Å; S266-K275 PolarHBondContact O-N 3.48Å |
| 267 | I | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.8 | 173.9 | -56.9 | 170.1 | 0 | 0 | 0 | 107 | I220 V234 L236 Y253 H254 I255 V257 A274 | I220-I267 HydrophobicContact CB-CD1 4.31Å; I220-I267 HydrophobicContact CG1-CD1 3.85Å; V234-I267 HydrophobicContact CB-CD1 4.28Å; V234-I267 HydrophobicContact CG1-CD1 3.96Å; V234-I267 HydrophobicContact CG1-CG1 4.3Å; V234-I267 HydrophobicContact CG1-CG2 4.39Å; V234-I267 HydrophobicContact CG2-CG2 4.19Å; L236-I267 HydrophobicContact CD2-CD1 4.28Å; Y253-I267 HydrophobicContact CE2-CG2 4.37Å; H254-I267 WeakPolarHBondContact CA-O 3.31Å; I255-I267 HydrophobicContact CB-CB 4.3Å; I255-I267 PolarHBondContact N-O 2.88Å; I255-I267 PolarHBondContact O-N 2.87Å; V257-I267 HydrophobicContact CG2-CD1 3.88Å; I267-A274 HydrophobicContact CD1-CB 4.2Å; I267-A274 HydrophobicContact CG1-CB 3.65Å |
| 268 | K | 95.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 48 Ų | 48 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 158.5 | 171.7 | -62 | -179.3 | -179.2 | -178.6 | 0 | 110.4 | G270 E271 | K268-G270 PolarHBondContact O-N 3.01Å; K268-E271 HydrophobicContact CB-CG 4.21Å; K268-E271 PolarHBondContact N-OE2 3Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 2.85Å |
| 269 | R | 92.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 54.7 Ų | 54.7 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.6 | 175.7 | -173.9 | -167 | -174.1 | 115.1 | 7.8 | 111.3 | F249 D250 I251 Y253 E271 | F249-R269 VanDerWaalsContact O-CZ 3.32Å; F249-R269 PolarHBondContact O-NH1 3.03Å; D250-R269 PolarHBondContact O-NH1 2.89Å; D250-R269 PolarHBondContact O-NH2 2.74Å; I251-R269 WeakPolarHBondContact O-CD 3.37Å; I251-R269 PolarHBondContact O-NH1 2.93Å; Y253-R269 HydrophobicContact CD1-CB 3.93Å; Y253-R269 HydrophobicContact CD1-CG 4.22Å; Y253-R269 HydrophobicContact CE1-CB 3.8Å; Y253-R269 HydrophobicContact CE1-CG 3.85Å; Y253-R269 HydrophobicContact CG-CB 4.48Å; Y253-R269 PolarHBondContact O-N 2.72Å; R269-E271 PolarHBondContact O-N 3.43Å |
| 270 | G | 85.9 | Confident | 93.6 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -6.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K268 | K268-G270 PolarHBondContact O-N 3.01Š|
| 271 | E | 87.9 | Confident | 93.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | trans | -80 | 125.3 | 170.2 | -61.7 | -173.4 | 153 | 0 | 0 | 109.7 | K268 R269 N273 K275 | K268-E271 HydrophobicContact CB-CG 4.21Å; K268-E271 PolarHBondContact N-OE2 3Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 2.85Å; R269-E271 PolarHBondContact O-N 3.43Å; E271-N273 VanDerWaalsContact C-N 3.35Å; E271-K275 VanDerWaalsContact OE1-CE 3.32Å; E271-K275 WeakPolarHBondContact OE1-CE 3.31Å; E271-K275 IonicContact OE1-NZ 2.68Å; E271-K275 PolarHBondContact OE1-NZ 2.82Å | ||
| 272 | A | 82 | Confident | 93.1 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -73.2 | -28.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 273 | N | 88.7 | Confident | 93.2 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -129.9 | 145.9 | -175.9 | -66 | -40.1 | 0 | 0 | 0 | 110.3 | E271 | E271-N273 VanDerWaalsContact C-N 3.35Š|
| 274 | A | 93.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 134.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V234 L236 I267 | V234-A274 HydrophobicContact CG1-CB 4.44Å; L236-A274 HydrophobicContact CD2-CB 3.5Å; I267-A274 HydrophobicContact CD1-CB 4.2Å; I267-A274 HydrophobicContact CG1-CB 3.65Å |
| 275 | K | 95.1 | Very high | 93.1 | Very high | 117 Ų | 117 | 56.5 Ų | 56.5 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145 | 178 | -69.6 | 176.6 | 179.5 | 168.6 | 0 | 110.6 | Y265 S266 E271 Y277 | Y265-K275 CarbonylContact C-O 3.51Å; Y265-K275 VanDerWaalsContact CA-O 3.24Å; Y265-K275 WeakPolarHBondContact CA-O 3.32Å; S266-K275 PolarHBondContact N-O 3.12Å; S266-K275 PolarHBondContact O-N 3.48Å; E271-K275 VanDerWaalsContact OE1-CE 3.32Å; E271-K275 WeakPolarHBondContact OE1-CE 3.31Å; E271-K275 IonicContact OE1-NZ 2.68Å; E271-K275 PolarHBondContact OE1-NZ 2.82Å; K275-Y277 PolarHBondContact O-N 2.06Å |
| 276 | V | 95.5 | Very high | 93 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 124.1 | 171.4 | 178 | 0 | 0 | 0 | 0 | 108.4 | I263 Y265 E279 | I263-V276 HydrophobicContact CG2-CG1 3.97Å; Y265-V276 HydrophobicContact CD1-CG2 4.19Å; Y265-V276 HydrophobicContact CE1-CG2 3.72Å; V276-E279 HydrophobicContact CG1-CG 4.42Å |
| 277 | Y | 95.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -59.9 | 175.2 | -177.1 | -100.9 | 0 | 0 | 0 | 110 | L256 I264 K275 V294 S307 L308 G310 | L256-Y277 HydrophobicContact CD2-CD1 4.36Å; L256-Y277 HydrophobicContact CD2-CD2 3.92Å; L256-Y277 HydrophobicContact CD2-CE2 4.1Å; L256-Y277 HydrophobicContact CD2-CG 4.03Å; I264-Y277 HydrophobicContact CB-CD1 4.2Å; I264-Y277 HydrophobicContact CG2-CD1 3.96Å; I264-Y277 HydrophobicContact CG2-CG 4.41Å; I264-Y277 WeakPolarHBondContact O-CA 3.29Å; I264-Y277 WeakPolarHBondContact O-CB 3.31Å; I264-Y277 PolarHBondContact O-N 3.34Å; K275-Y277 PolarHBondContact O-N 2.06Å; Y277-V294 HydrophobicContact CE1-CB 4.4Å; Y277-V294 HydrophobicContact CE1-CG2 4.24Å; Y277-V294 VanDerWaalsContact OH-CG2 3.29Å; Y277-V294 WeakPolarHBondContact OH-CG2 3.33Å; Y277-S307 PolarHBondContact OH-O 3.21Å; Y277-L308 VanDerWaalsContact CE2-O 3.31Å; Y277-L308 WeakPolarHBondContact CE2-O 3.48Å; Y277-L308 VanDerWaalsContact OH-CA 3.31Å; Y277-L308 WeakPolarHBondContact OH-CA 3.41Å; Y277-L308 PolarHBondContact OH-O 3.14Å; Y277-G310 PolarHBondContact OH-N 3.13Å |
| 278 | V | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.2 | -176.8 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | I264 T280 F306 G310 | I264-V278 HydrophobicContact CD1-CB 4.49Å; I264-V278 PolarHBondContact N-O 3.08Å; I264-V278 PolarHBondContact O-N 2.8Å; V278-T280 HydrophobicContact CG1-CG2 4.32Å; V278-F306 HydrophobicContact CB-CE1 4.47Å; V278-F306 HydrophobicContact CG1-CD1 3.88Å; V278-F306 HydrophobicContact CG1-CD2 4.45Å; V278-F306 HydrophobicContact CG1-CE1 3.4Å; V278-F306 VanDerWaalsContact CG1-CE1 3.4Å; V278-F306 HydrophobicContact CG1-CE2 4.01Å; V278-F306 HydrophobicContact CG1-CG 4.39Å; V278-F306 HydrophobicContact CG1-CZ 3.48Å; V278-F306 VanDerWaalsContact CG1-CZ 3.48Å; V278-F306 HydrophobicContact CG2-CD1 3.81Å; V278-F306 HydrophobicContact CG2-CE1 4.2Å; V278-F306 HydrophobicContact CG2-CG 4.12Å; V278-G310 WeakPolarHBondContact CG2-O 3.42Å |
| 279 | E | 93.7 | Very high | 92.6 | Very high | 140 Ų | 140 | 54.2 Ų | 54.2 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.8 | 165.1 | -57.9 | -172.8 | 172.1 | 0 | 0 | 109.6 | I263 V276 | I263-E279 HydrophobicContact CD1-CG 4.04Å; I263-E279 HydrophobicContact CG1-CG 4.04Å; I263-E279 HydrophobicContact CG2-CG 4.34Å; V276-E279 HydrophobicContact CG1-CG 4.42Å |
| 280 | T | 90.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | trans | -88.9 | -20 | -174.4 | 65.6 | 0 | 0 | 0 | 0 | 113 | G262 I264 V278 S282 I284 V296 K304 | G262-T280 PolarHBondContact O-N 2.99Å; G262-T280 PolarHBondContact O-OG1 3.09Å; I264-T280 HydrophobicContact CD1-CG2 4Å; I264-T280 HydrophobicContact CG1-CG2 4.19Å; V278-T280 HydrophobicContact CG1-CG2 4.32Å; T280-S282 PolarHBondContact O-N 3.44Å; T280-S282 PolarHBondContact OG1-N 3.08Å; T280-S282 PolarHBondContact OG1-O 3.01Å; T280-I284 HydrophobicContact CG2-CD1 3.87Å; T280-I284 HydrophobicContact CG2-CG1 4.08Å; T280-V296 HydrophobicContact CG2-CG1 4.24Å; T280-K304 PolarHBondContact O-NZ 3.22Å | ||
| 281 | G | 88.2 | Confident | 92.1 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 85% | 0.845 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 73.4 | 7.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 282 | S | 93.8 | Very high | 92 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -150.6 | 155.7 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110 | T280 I284 M299 D300 | T280-S282 PolarHBondContact O-N 3.44Å; T280-S282 PolarHBondContact OG1-N 3.08Å; T280-S282 PolarHBondContact OG1-O 3.01Å; S282-I284 PolarHBondContact O-N 3.14Å; S282-M299 PolarHBondContact OG-N 3.21Å; S282-D300 VanDerWaalsContact CB-CG 3.5Å; S282-D300 WeakPolarHBondContact CB-OD2 3.5Å; S282-D300 PolarHBondContact OG-N 2.94Å; S282-D300 VanDerWaalsContact OG-N 3.13Å |
| 283 | Q | 96.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | trans | -59.3 | 139.3 | 172.5 | -63.5 | -63.3 | 60.8 | 0 | 0 | 111.5 | R260 C298 M299 | R260-Q283 PolarHBondContact O-NE2 2.62Å; R260-Q283 PolarHBondContact O-OE1 2.72Å; R260-Q283 VanDerWaalsContact O-OE1 3.06Å; Q283-C298 CarbonylContact O-C 3.58Å; Q283-C298 VanDerWaalsContact O-CA 3.26Å; Q283-C298 WeakPolarHBondContact O-CA 3.49Å; Q283-M299 HydrophobicContact CB-CB 4.27Å; Q283-M299 HydrophobicContact CB-CG 4.02Å; Q283-M299 HydrophobicContact CB-SD 3.75Å; Q283-M299 HydrophobicContact CG-SD 4.38Å; Q283-M299 PolarHBondContact O-N 2.81Å | ||
| 284 | I | 97.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.4 | -172.1 | -59.8 | 166.5 | 0 | 0 | 0 | 109.1 | T258 I264 T280 S282 V296 | T258-I284 HydrophobicContact CG2-CD1 3.91Å; T258-I284 HydrophobicContact CG2-CG2 3.83Å; I264-I284 HydrophobicContact CD1-CD1 4.29Å; I264-I284 HydrophobicContact CG1-CD1 3.71Å; T280-I284 HydrophobicContact CG2-CD1 3.87Å; T280-I284 HydrophobicContact CG2-CG1 4.08Å; S282-I284 PolarHBondContact O-N 3.14Å; I284-V296 HydrophobicContact CB-CG1 4.32Å; I284-V296 HydrophobicContact CD1-CG1 4.32Å; I284-V296 HydrophobicContact CG1-CG1 4Å; I284-V296 HydrophobicContact CG2-CG1 3.48Å; I284-V296 VanDerWaalsContact CG2-CG1 3.48Å |
| 285 | I | 96.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -31 | 178.3 | -66.2 | 162 | 0 | 0 | 0 | 111.3 | H242 A297 M299 I322 L323 | H242-I285 VanDerWaalsContact CE1-C 3.49Å; H242-I285 PolarHBondContact CE1-O 3.25Å; H242-I285 PolarHBondContact NE2-O 2.86Å; I285-A297 HydrophobicContact CB-CB 4.4Å; I285-A297 PolarHBondContact N-O 3.4Å; I285-M299 HydrophobicContact CD1-CB 4.44Å; I285-M299 HydrophobicContact CD1-CG 3.98Å; I285-M299 HydrophobicContact CG1-CG 3.77Å; I285-I322 HydrophobicContact CD1-CB 3.87Å; I285-I322 HydrophobicContact CD1-CG2 4.16Å; I285-I322 WeakPolarHBondContact CD1-O 3.48Å; I285-I322 HydrophobicContact CG2-CG2 4.45Å; I285-L323 WeakPolarHBondContact CG2-O 3.2Å |
| 286 | G | 95.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 160.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A297 | G286-A297 PolarHBondContact O-N 2.76Å; G286-A297 VanDerWaalsContact O-N 3.13Å |
| 287 | L | 96 | Very high | 92.8 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.6 | -173.5 | 174.7 | 68.9 | 0 | 0 | 0 | 109.4 | H242 N244 L256 T258 V294 V296 | H242-L287 HydrophobicContact CB-CB 4.21Å; N244-L287 HydrophobicContact CB-CD2 3.61Å; N244-L287 HydrophobicContact CB-CG 4.16Å; L256-L287 HydrophobicContact CB-CD2 3.84Å; T258-L287 HydrophobicContact CG2-CB 3.73Å; T258-L287 HydrophobicContact CG2-CD1 4.18Å; T258-L287 HydrophobicContact CG2-CD2 3.92Å; T258-L287 HydrophobicContact CG2-CG 4.15Å; L287-V294 HydrophobicContact CD1-CG1 3.54Å; L287-V296 HydrophobicContact CD1-CG2 4.09Å |
| 288 | L | 94.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.5 | 170.2 | -57.9 | -176.3 | 0 | 0 | 0 | 109.7 | I295 I325 P327 Y342 | L288-I295 HydrophobicContact CB-CB 4.33Å; L288-I295 PolarHBondContact N-O 2.82Å; L288-I295 PolarHBondContact O-N 2.93Å; L288-I295 VanDerWaalsContact O-O 3.12Å; L288-I325 HydrophobicContact CD1-CD1 3.7Å; L288-I325 HydrophobicContact CD1-CG1 3.69Å; L288-I325 HydrophobicContact CG-CD1 4.13Å; L288-I325 HydrophobicContact CG-CG1 4.22Å; L288-P327 HydrophobicContact CD2-CB 3.97Å; L288-P327 HydrophobicContact CD2-CG 4.08Å; L288-Y342 HydrophobicContact CD1-CG 4.03Å |
| 289 | R | 91.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 41 Ų | 41 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130 | 177.6 | -176.7 | 174.6 | -176.9 | -176.9 | -5.8 | 109.4 | N244 I246 H254 V294 | N244-R289 WeakPolarHBondContact OD1-CB 3.42Å; N244-R289 WeakPolarHBondContact OD1-CD 3.35Å; I246-R289 VanDerWaalsContact CD1-NH2 3.29Å; H254-R289 PolarHBondContact ND1-NH1 2.81Å; H254-R289 PolarHBondContact ND1-NH2 3.04Å; R289-V294 HydrophobicContact CG-CG2 4.18Å |
| 290 | T | 85.8 | Confident | 93 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | trans | -107.3 | 175.9 | 171.7 | 81.4 | 0 | 0 | 0 | 0 | 109.4 | K292 A293 I295 I340 | T290-K292 PolarHBondContact O-N 3.14Å; T290-K292 PolarHBondContact OG1-N 3.26Å; T290-A293 PolarHBondContact N-O 3.26Å; T290-A293 PolarHBondContact OG1-N 2.92Å; T290-A293 PolarHBondContact OG1-O 2.83Å; T290-I295 HydrophobicContact CG2-CD1 4.05Å; T290-I340 HydrophobicContact CG2-CB 3.74Å; T290-I340 HydrophobicContact CG2-CD1 4.03Å; T290-I340 HydrophobicContact CG2-CG1 4.07Å | ||
| 291 | E | 82.4 | Confident | 93.2 | Very high | 140 Ų | 140 | 38.2 Ų | 38.2 | 65% | 0.654 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -66.8 | -18.5 | 174.8 | -63.2 | -171.8 | 167.6 | 0 | 0 | 113.1 | L308 | E291-L308 WeakPolarHBondContact O-CD1 3.38Š|
| 292 | K | 84.7 | Confident | 93.5 | Very high | 123 Ų | 123 | 34.5 Ų | 34.5 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -114 | -27.2 | -175.2 | -62.8 | 179 | -175.9 | 169.5 | 0 | 113.3 | T290 | T290-K292 PolarHBondContact O-N 3.14Å; T290-K292 PolarHBondContact OG1-N 3.26Å |
| 293 | A | 91 | Very high | 93.5 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 158.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113 | T290 F306 I313 | T290-A293 PolarHBondContact N-O 3.26Å; T290-A293 PolarHBondContact OG1-N 2.92Å; T290-A293 PolarHBondContact OG1-O 2.83Å; A293-F306 CarbonylContact C-O 3.53Å; A293-F306 WeakPolarHBondContact CA-O 3.49Å; A293-F306 WeakPolarHBondContact CB-O 3.3Å; A293-I313 HydrophobicContact CB-CD1 4.3Å |
| 294 | V | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.6 | 168.7 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | L256 Y277 L287 R289 V296 G305 F306 L308 | L256-V294 HydrophobicContact CD1-CB 4.4Å; L256-V294 HydrophobicContact CD1-CG1 3.94Å; L256-V294 HydrophobicContact CD1-CG2 3.49Å; L256-V294 VanDerWaalsContact CD1-CG2 3.49Å; Y277-V294 HydrophobicContact CE1-CB 4.4Å; Y277-V294 HydrophobicContact CE1-CG2 4.24Å; Y277-V294 VanDerWaalsContact OH-CG2 3.29Å; Y277-V294 WeakPolarHBondContact OH-CG2 3.33Å; L287-V294 HydrophobicContact CD1-CG1 3.54Å; R289-V294 HydrophobicContact CG-CG2 4.18Å; V294-V296 HydrophobicContact CG1-CG2 4.08Å; V294-G305 CarbonylContact O-C 3.55Å; V294-G305 WeakPolarHBondContact O-CA 3.38Å; V294-F306 HydrophobicContact CB-CB 4.47Å; V294-F306 PolarHBondContact N-O 2.92Å; V294-F306 PolarHBondContact O-N 3.41Å; V294-L308 HydrophobicContact CG2-CD2 4.25Å |
| 295 | I | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130 | -175.9 | -57.1 | 173.7 | 0 | 0 | 0 | 108.4 | L288 T290 V303 K304 W314 I325 Y342 | L288-I295 HydrophobicContact CB-CB 4.33Å; L288-I295 PolarHBondContact N-O 2.82Å; L288-I295 PolarHBondContact O-N 2.93Å; L288-I295 VanDerWaalsContact O-O 3.12Å; T290-I295 HydrophobicContact CG2-CD1 4.05Å; I295-V303 HydrophobicContact CG2-CG1 3.64Å; I295-K304 WeakPolarHBondContact CA-O 3.35Å; I295-W314 HydrophobicContact CD1-CH2 4.47Å; I295-W314 HydrophobicContact CD1-CZ2 4.27Å; I295-W314 HydrophobicContact CG1-CH2 4.23Å; I295-W314 HydrophobicContact CG1-CZ2 4.08Å; I295-W314 HydrophobicContact CG2-CH2 3.99Å; I295-I325 HydrophobicContact CG2-CD1 4.4Å; I295-Y342 HydrophobicContact CD1-CD1 3.77Å; I295-Y342 HydrophobicContact CD1-CE1 3.66Å; I295-Y342 HydrophobicContact CG2-CD1 4.49Å; I295-Y342 HydrophobicContact CG2-CE1 4.13Å; I295-Y342 HydrophobicContact CG2-CE2 4.48Å |
| 296 | V | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.1 | -172 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | I264 T280 I284 L287 V294 V303 K304 F306 | I264-V296 HydrophobicContact CD1-CG1 4.27Å; I264-V296 HydrophobicContact CD1-CG2 3.52Å; T280-V296 HydrophobicContact CG2-CG1 4.24Å; I284-V296 HydrophobicContact CB-CG1 4.32Å; I284-V296 HydrophobicContact CD1-CG1 4.32Å; I284-V296 HydrophobicContact CG1-CG1 4Å; I284-V296 HydrophobicContact CG2-CG1 3.48Å; I284-V296 VanDerWaalsContact CG2-CG1 3.48Å; L287-V296 HydrophobicContact CD1-CG2 4.09Å; V294-V296 HydrophobicContact CG1-CG2 4.08Å; V296-V303 CarbonylContact O-C 3.09Å; V296-V303 WeakPolarHBondContact O-CA 3.07Å; V296-K304 PolarHBondContact N-O 3.46Å; V296-K304 PolarHBondContact O-N 3.13Å; V296-F306 HydrophobicContact CB-CE2 4.39Å; V296-F306 HydrophobicContact CG2-CD2 4.1Å; V296-F306 HydrophobicContact CG2-CE2 4.07Å |
| 297 | A | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I285 G286 V303 I322 I325 | I285-A297 HydrophobicContact CB-CB 4.4Å; I285-A297 PolarHBondContact N-O 3.4Å; G286-A297 PolarHBondContact O-N 2.76Å; G286-A297 VanDerWaalsContact O-N 3.13Å; A297-V303 HydrophobicContact CB-CG2 4.46Å; A297-I322 HydrophobicContact CB-CD1 4.3Å; A297-I322 HydrophobicContact CB-CG2 4.14Å; A297-I325 HydrophobicContact CB-CB 4.08Å; A297-I325 HydrophobicContact CB-CD1 4.02Å; A297-I325 HydrophobicContact CB-CG2 3.88Å |
| 298 | C | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.2 | -173.1 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | Q283 D300 Q301 T302 | Q283-C298 CarbonylContact O-C 3.58Å; Q283-C298 VanDerWaalsContact O-CA 3.26Å; Q283-C298 WeakPolarHBondContact O-CA 3.49Å; C298-D300 WeakPolarHBondContact CB-OD1 2.84Å; C298-D300 PolarHBondContact O-N 2.95Å; C298-Q301 PolarHBondContact O-N 2.76Å; C298-Q301 VanDerWaalsContact O-N 3.17Å; C298-T302 WeakPolarHBondContact CB-O 3.21Å; C298-T302 PolarHBondContact N-O 3.47Å |
| 299 | M | 96 | Very high | 92.6 | Very high | 124 Ų | 124 | 37.2 Ų | 37.2 | 61% | 0.611 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.3 | 178.1 | -79 | -169.3 | 169.3 | 0 | 0 | 113.8 | S282 Q283 I285 Q301 | S282-M299 PolarHBondContact OG-N 3.21Å; Q283-M299 HydrophobicContact CB-CB 4.27Å; Q283-M299 HydrophobicContact CB-CG 4.02Å; Q283-M299 HydrophobicContact CB-SD 3.75Å; Q283-M299 HydrophobicContact CG-SD 4.38Å; Q283-M299 PolarHBondContact O-N 2.81Å; I285-M299 HydrophobicContact CD1-CB 4.44Å; I285-M299 HydrophobicContact CD1-CG 3.98Å; I285-M299 HydrophobicContact CG1-CG 3.77Å; M299-Q301 PolarHBondContact O-N 2.78Å |
| 300 | D | 94.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 15.5 | 172.8 | 68.8 | -3.8 | 0 | 0 | 0 | 114.2 | S282 C298 T302 K304 R317 | S282-D300 VanDerWaalsContact CB-CG 3.5Å; S282-D300 WeakPolarHBondContact CB-OD2 3.5Å; S282-D300 PolarHBondContact OG-N 2.94Å; S282-D300 VanDerWaalsContact OG-N 3.13Å; C298-D300 WeakPolarHBondContact CB-OD1 2.84Å; C298-D300 PolarHBondContact O-N 2.95Å; D300-T302 VanDerWaalsContact CG-OG1 3.22Å; D300-T302 PolarHBondContact O-N 3.08Å; D300-T302 VanDerWaalsContact OD1-CB 3.31Å; D300-T302 WeakPolarHBondContact OD1-CB 3.42Å; D300-T302 WeakPolarHBondContact OD1-CG2 3.17Å; D300-T302 PolarHBondContact OD1-N 2.98Å; D300-T302 VanDerWaalsContact OD1-N 3.08Å; D300-T302 PolarHBondContact OD1-OG1 3.4Å; D300-T302 PolarHBondContact OD2-OG1 3.43Å; D300-K304 IonicContact OD2-NZ 3.34Å; D300-K304 PolarHBondContact OD2-NZ 3.27Å; D300-K304 VanDerWaalsContact OD2-NZ 3.15Å; D300-R317 PolarHBondContact O-NH1 2.79Å; D300-R317 PolarHBondContact O-NH2 2.86Å |
| 301 | Q | 95.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 67 | 17 | -177.7 | -47.9 | 173.9 | -27.6 | 0 | 0 | 113.6 | C298 M299 R317 H318 E321 | C298-Q301 PolarHBondContact O-N 2.76Å; C298-Q301 VanDerWaalsContact O-N 3.17Å; M299-Q301 PolarHBondContact O-N 2.78Å; Q301-R317 WeakPolarHBondContact O-CA 3.36Å; Q301-H318 PolarHBondContact O-N 2.95Å; Q301-E321 HydrophobicContact CG-CG 4.36Å |
| 302 | T | 94.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | C298 D300 K304 R315 V316 R317 | C298-T302 WeakPolarHBondContact CB-O 3.21Å; C298-T302 PolarHBondContact N-O 3.47Å; D300-T302 VanDerWaalsContact CG-OG1 3.22Å; D300-T302 PolarHBondContact O-N 3.08Å; D300-T302 VanDerWaalsContact OD1-CB 3.31Å; D300-T302 WeakPolarHBondContact OD1-CB 3.42Å; D300-T302 WeakPolarHBondContact OD1-CG2 3.17Å; D300-T302 PolarHBondContact OD1-N 2.98Å; D300-T302 VanDerWaalsContact OD1-N 3.08Å; D300-T302 PolarHBondContact OD1-OG1 3.4Å; D300-T302 PolarHBondContact OD2-OG1 3.43Å; T302-K304 WeakPolarHBondContact OG1-CE 3.43Å; T302-K304 PolarHBondContact OG1-NZ 2.86Å; T302-R315 HydrophobicContact CG2-CG 4.46Å; T302-V316 CarbonylContact C-O 3.47Å; T302-V316 WeakPolarHBondContact CA-O 3.28Å; T302-V316 WeakPolarHBondContact CB-O 3.27Å; T302-R317 HydrophobicContact CG2-CB 4.26Å; T302-R317 HydrophobicContact CG2-CG 4.26Å |
| 303 | V | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.3 | 166.8 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | I295 V296 A297 W314 R315 V316 H318 I322 Y342 I344 | I295-V303 HydrophobicContact CG2-CG1 3.64Å; V296-V303 CarbonylContact O-C 3.09Å; V296-V303 WeakPolarHBondContact O-CA 3.07Å; A297-V303 HydrophobicContact CB-CG2 4.46Å; V303-W314 HydrophobicContact CB-CZ3 4.42Å; V303-W314 HydrophobicContact CG1-CH2 4.09Å; V303-W314 HydrophobicContact CG1-CZ3 3.89Å; V303-R315 CarbonylContact O-C 3.59Å; V303-R315 WeakPolarHBondContact O-CA 3.26Å; V303-V316 PolarHBondContact N-O 3.12Å; V303-V316 PolarHBondContact O-N 3.19Å; V303-H318 VanDerWaalsContact CG2-NE2 3.26Å; V303-H318 WeakPolarHBondContact CG2-NE2 3.4Å; V303-I322 HydrophobicContact CG2-CD1 3.68Å; V303-Y342 HydrophobicContact CG1-CE2 4.32Å; V303-I344 HydrophobicContact CG2-CD1 3.45Å; V303-I344 VanDerWaalsContact CG2-CD1 3.45Å |
| 304 | K | 93.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.7 | -174.3 | -63.9 | 167.6 | -178.9 | 143.3 | 0 | 108.6 | T280 I295 V296 D300 T302 F306 R315 | T280-K304 PolarHBondContact O-NZ 3.22Å; I295-K304 WeakPolarHBondContact CA-O 3.35Å; V296-K304 PolarHBondContact N-O 3.46Å; V296-K304 PolarHBondContact O-N 3.13Å; D300-K304 IonicContact OD2-NZ 3.34Å; D300-K304 PolarHBondContact OD2-NZ 3.27Å; D300-K304 VanDerWaalsContact OD2-NZ 3.15Å; T302-K304 WeakPolarHBondContact OG1-CE 3.43Å; T302-K304 PolarHBondContact OG1-NZ 2.86Å; K304-F306 HydrophobicContact CB-CD2 4.38Å; K304-F306 HydrophobicContact CB-CE2 3.47Å; K304-F306 VanDerWaalsContact CB-CE2 3.47Å; K304-F306 HydrophobicContact CB-CZ 3.69Å; K304-F306 HydrophobicContact CD-CZ 4.17Å; K304-F306 HydrophobicContact CG-CZ 4.45Å; K304-R315 HydrophobicContact CG-CB 4.27Å; K304-R315 HydrophobicContact CG-CG 4.02Å |
| 305 | G | 93 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V294 I313 W314 | V294-G305 CarbonylContact O-C 3.55Å; V294-G305 WeakPolarHBondContact O-CA 3.38Å; G305-I313 PolarHBondContact O-N 2.91Å; G305-W314 PolarHBondContact N-O 3.04Å; G305-W314 PolarHBondContact O-N 3.01Å |
| 306 | F | 94.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.8 | 177 | -57.6 | -85.9 | 0 | 0 | 0 | 109.9 | V278 A293 V294 V296 K304 R311 P312 | V278-F306 HydrophobicContact CB-CE1 4.47Å; V278-F306 HydrophobicContact CG1-CD1 3.88Å; V278-F306 HydrophobicContact CG1-CD2 4.45Å; V278-F306 HydrophobicContact CG1-CE1 3.4Å; V278-F306 VanDerWaalsContact CG1-CE1 3.4Å; V278-F306 HydrophobicContact CG1-CE2 4.01Å; V278-F306 HydrophobicContact CG1-CG 4.39Å; V278-F306 HydrophobicContact CG1-CZ 3.48Å; V278-F306 VanDerWaalsContact CG1-CZ 3.48Å; V278-F306 HydrophobicContact CG2-CD1 3.81Å; V278-F306 HydrophobicContact CG2-CE1 4.2Å; V278-F306 HydrophobicContact CG2-CG 4.12Å; A293-F306 CarbonylContact C-O 3.53Å; A293-F306 WeakPolarHBondContact CA-O 3.49Å; A293-F306 WeakPolarHBondContact CB-O 3.3Å; V294-F306 HydrophobicContact CB-CB 4.47Å; V294-F306 PolarHBondContact N-O 2.92Å; V294-F306 PolarHBondContact O-N 3.41Å; V296-F306 HydrophobicContact CB-CE2 4.39Å; V296-F306 HydrophobicContact CG2-CD2 4.1Å; V296-F306 HydrophobicContact CG2-CE2 4.07Å; K304-F306 HydrophobicContact CB-CD2 4.38Å; K304-F306 HydrophobicContact CB-CE2 3.47Å; K304-F306 VanDerWaalsContact CB-CE2 3.47Å; K304-F306 HydrophobicContact CB-CZ 3.69Å; K304-F306 HydrophobicContact CD-CZ 4.17Å; K304-F306 HydrophobicContact CG-CZ 4.45Å; F306-R311 CarbonylContact C-O 3.42Å; F306-R311 VanDerWaalsContact CA-O 3.31Å; F306-R311 WeakPolarHBondContact CA-O 3.42Å; F306-P312 HydrophobicContact CD1-CB 4.01Å; F306-P312 HydrophobicContact CE1-CB 3.93Å |
| 307 | S | 92.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 164.2 | 165.4 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | Y277 E309 G310 R311 I313 | Y277-S307 PolarHBondContact OH-O 3.21Å; S307-E309 WeakPolarHBondContact CB-OE2 3.21Å; S307-E309 PolarHBondContact O-N 2.61Å; S307-G310 PolarHBondContact O-N 3.3Å; S307-R311 PolarHBondContact N-O 3.01Å; S307-R311 WeakPolarHBondContact OG-CA 3.32Å; S307-R311 VanDerWaalsContact OG-CB 3.25Å; S307-R311 WeakPolarHBondContact OG-CB 3.41Å; S307-R311 PolarHBondContact OG-N 3.49Å; S307-R311 PolarHBondContact OG-O 3.09Å; S307-R311 VanDerWaalsContact OG-O 3.08Å; S307-I313 VanDerWaalsContact N-CD1 3.33Å |
| 308 | L | 91 | Very high | 92.8 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.4 | 176.2 | -65.3 | -174.4 | 0 | 0 | 0 | 113.7 | Y277 E291 V294 | Y277-L308 VanDerWaalsContact CE2-O 3.31Å; Y277-L308 WeakPolarHBondContact CE2-O 3.48Å; Y277-L308 VanDerWaalsContact OH-CA 3.31Å; Y277-L308 WeakPolarHBondContact OH-CA 3.41Å; Y277-L308 PolarHBondContact OH-O 3.14Å; E291-L308 WeakPolarHBondContact O-CD1 3.38Å; V294-L308 HydrophobicContact CG2-CD2 4.25Å |
| 309 | E | 91 | Very high | 92.3 | Very high | 148 Ų | 148 | 55.8 Ų | 55.8 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.2 | 174 | -57.2 | 75.3 | -161.4 | 0 | 0 | 112.9 | S307 | S307-E309 WeakPolarHBondContact CB-OE2 3.21Å; S307-E309 PolarHBondContact O-N 2.61Å |
| 310 | G | 90.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 88.4 | 5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y277 V278 S307 | Y277-G310 PolarHBondContact OH-N 3.13Å; V278-G310 WeakPolarHBondContact CG2-O 3.42Å; S307-G310 PolarHBondContact O-N 3.3Å |
| 311 | R | 92.8 | Very high | 92.2 | Very high | 190 Ų | 190 | 54.1 Ų | 54.1 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | trans | -74.2 | 134 | 173.9 | -55 | 179.8 | 175.9 | 179.8 | -0.9 | 111 | F306 S307 I313 | F306-R311 CarbonylContact C-O 3.42Å; F306-R311 VanDerWaalsContact CA-O 3.31Å; F306-R311 WeakPolarHBondContact CA-O 3.42Å; S307-R311 PolarHBondContact N-O 3.01Å; S307-R311 WeakPolarHBondContact OG-CA 3.32Å; S307-R311 VanDerWaalsContact OG-CB 3.25Å; S307-R311 WeakPolarHBondContact OG-CB 3.41Å; S307-R311 PolarHBondContact OG-N 3.49Å; S307-R311 PolarHBondContact OG-O 3.09Å; S307-R311 VanDerWaalsContact OG-O 3.08Å; R311-I313 PolarHBondContact O-N 2.97Å | ||
| 312 | P | 91.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131.6 | 176.5 | 28.4 | -34 | 0 | 0 | 0 | 110.9 | F306 I454 | F306-P312 HydrophobicContact CD1-CB 4.01Å; F306-P312 HydrophobicContact CE1-CB 3.93Å; P312-I454 HydrophobicContact CB-CD1 4.43Å; P312-I454 HydrophobicContact CB-CG2 4.37Å; P312-I454 HydrophobicContact CG-CG2 4.33Å |
| 313 | I | 90.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -54.3 | 178.1 | -54.1 | 174.1 | 0 | 0 | 0 | 109.4 | A293 G305 S307 R311 | A293-I313 HydrophobicContact CB-CD1 4.3Å; G305-I313 PolarHBondContact O-N 2.91Å; S307-I313 VanDerWaalsContact N-CD1 3.33Å; R311-I313 PolarHBondContact O-N 2.97Å |
| 314 | W | 91.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 162 | -174.6 | 51.1 | -106.3 | 0 | 0 | 0 | 111.6 | I295 V303 G305 V316 D356 Q357 | I295-W314 HydrophobicContact CD1-CH2 4.47Å; I295-W314 HydrophobicContact CD1-CZ2 4.27Å; I295-W314 HydrophobicContact CG1-CH2 4.23Å; I295-W314 HydrophobicContact CG1-CZ2 4.08Å; I295-W314 HydrophobicContact CG2-CH2 3.99Å; V303-W314 HydrophobicContact CB-CZ3 4.42Å; V303-W314 HydrophobicContact CG1-CH2 4.09Å; V303-W314 HydrophobicContact CG1-CZ3 3.89Å; G305-W314 PolarHBondContact N-O 3.04Å; G305-W314 PolarHBondContact O-N 3.01Å; W314-V316 HydrophobicContact CE3-CG2 4.25Å; W314-V316 HydrophobicContact CZ3-CG2 4.47Å; W314-D356 WeakPolarHBondContact CH2-O 3.25Å; W314-D356 VanDerWaalsContact CZ2-C 3.44Å; W314-D356 HydrophobicContact CZ2-CB 4.3Å; W314-Q357 HydrophobicContact CB-CB 4.41Å; W314-Q357 HydrophobicContact CD2-CB 3.79Å; W314-Q357 HydrophobicContact CE3-CB 3.95Å; W314-Q357 HydrophobicContact CG-CB 3.98Å; W314-Q357 HydrophobicContact CZ3-CB 4.47Å |
| 315 | R | 91 | Very high | 92.6 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.1 | 173.6 | 170.8 | -173.3 | 63.6 | -177.4 | -4.4 | 109.7 | T302 V303 K304 S451 I454 | T302-R315 HydrophobicContact CG2-CG 4.46Å; V303-R315 CarbonylContact O-C 3.59Å; V303-R315 WeakPolarHBondContact O-CA 3.26Å; K304-R315 HydrophobicContact CG-CB 4.27Å; K304-R315 HydrophobicContact CG-CG 4.02Å; R315-S451 WeakPolarHBondContact O-CB 3.38Å; R315-I454 HydrophobicContact CB-CD1 3.35Å; R315-I454 HydrophobicContact CB-CG1 4Å; R315-I454 HydrophobicContact CG-CD1 4.3Å |
| 316 | V | 91 | Very high | 92.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.6 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | T302 V303 W314 Q357 I449 | T302-V316 CarbonylContact C-O 3.47Å; T302-V316 WeakPolarHBondContact CA-O 3.28Å; T302-V316 WeakPolarHBondContact CB-O 3.27Å; V303-V316 PolarHBondContact N-O 3.12Å; V303-V316 PolarHBondContact O-N 3.19Å; W314-V316 HydrophobicContact CE3-CG2 4.25Å; W314-V316 HydrophobicContact CZ3-CG2 4.47Å; V316-Q357 HydrophobicContact CG2-CB 3.95Å; V316-I449 HydrophobicContact CG1-CB 3.63Å; V316-I449 HydrophobicContact CG1-CD1 3.68Å; V316-I449 HydrophobicContact CG1-CG1 4.22Å; V316-I449 HydrophobicContact CG1-CG2 3.56Å; V316-I449 HydrophobicContact CG2-CB 4.33Å |
| 317 | R | 92 | Very high | 92.6 | Very high | 144 Ų | 144 | 58.3 Ų | 58.3 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.9 | 172.8 | -173.7 | 179.7 | -175.7 | 80.5 | 9.8 | 109.1 | D300 Q301 T302 | D300-R317 PolarHBondContact O-NH1 2.79Å; D300-R317 PolarHBondContact O-NH2 2.86Å; Q301-R317 WeakPolarHBondContact O-CA 3.36Å; T302-R317 HydrophobicContact CG2-CB 4.26Å; T302-R317 HydrophobicContact CG2-CG 4.26Å |
| 318 | H | 91.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | trans | -93.1 | 161.1 | 177.6 | -64.8 | -103.2 | 0 | 0 | 0 | 111.1 | Q301 V303 C320 L346 Y354 | Q301-H318 PolarHBondContact O-N 2.95Å; V303-H318 VanDerWaalsContact CG2-NE2 3.26Å; V303-H318 WeakPolarHBondContact CG2-NE2 3.4Å; H318-C320 VanDerWaalsContact C-N 3.28Å; H318-C320 PolarHBondContact O-N 2.77Å; H318-L346 HydrophobicContact CB-CD1 4.41Å; H318-L346 HydrophobicContact CB-CD2 4.12Å; H318-Y354 AromaticContact CE1-CE2 3.67Å; H318-Y354 AromaticContact CE1-CZ 3.41Å; H318-Y354 VanDerWaalsContact CE1-CZ 3.41Å; H318-Y354 PolarHBondContact CE1-OH 3.5Å; H318-Y354 PolarHBondContact ND1-OH 2.77Å | ||
| 319 | S | 86.3 | Confident | 92.2 | Very high | 95 Ų | 95 | 60.2 Ų | 60.2 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68.9 | -27.3 | 178.7 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 320 | C | 91.5 | Very high | 91.8 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -134.3 | 173.3 | -173.1 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | H318 L346 D348 | H318-C320 VanDerWaalsContact C-N 3.28Å; H318-C320 PolarHBondContact O-N 2.77Å; C320-L346 HydrophobicContact CB-CB 4.35Å; C320-D348 HydrophobicContact CB-CB 4.44Å |
| 321 | E | 95.2 | Very high | 90.9 | Very high | 111 Ų | 111 | 59.8 Ų | 59.8 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -67.1 | 136.4 | 178.2 | -60 | 177.3 | 152.8 | 0 | 0 | 110.9 | Q301 L346 S347 | Q301-E321 HydrophobicContact CG-CG 4.36Å; E321-L346 CarbonylContact O-C 3.57Å; E321-L346 VanDerWaalsContact O-CA 3.28Å; E321-L346 WeakPolarHBondContact O-CA 3.46Å; E321-S347 PolarHBondContact N-OG 3.49Å; E321-S347 PolarHBondContact O-N 3.27Å | ||
| 322 | I | 97 | Very high | 89.6 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.9 | 173.5 | -59.7 | 164.7 | 0 | 0 | 0 | 106.9 | I285 A297 V303 I344 L346 | I285-I322 HydrophobicContact CD1-CB 3.87Å; I285-I322 HydrophobicContact CD1-CG2 4.16Å; I285-I322 WeakPolarHBondContact CD1-O 3.48Å; I285-I322 HydrophobicContact CG2-CG2 4.45Å; A297-I322 HydrophobicContact CB-CD1 4.3Å; A297-I322 HydrophobicContact CB-CG2 4.14Å; V303-I322 HydrophobicContact CG2-CD1 3.68Å; I322-I344 HydrophobicContact CG1-CG2 4.23Å; I322-I344 HydrophobicContact CG2-CG2 4.11Å; I322-L346 HydrophobicContact CB-CD2 4.4Å; I322-L346 HydrophobicContact CG1-CD2 3.76Å |
| 323 | L | 96.7 | Very high | 88.2 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -45.1 | 178.8 | -63.1 | -176.5 | 0 | 0 | 0 | 111.6 | I285 C345 P407 I408 | I285-L323 WeakPolarHBondContact CG2-O 3.2Å; L323-C345 PolarHBondContact N-O 2.92Å; L323-P407 HydrophobicContact CD1-CB 3.6Å; L323-P407 HydrophobicContact CD1-CG 4.21Å; L323-I408 WeakPolarHBondContact CD1-O 3.29Å |
| 324 | T | 96.5 | Very high | 86.6 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.6 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | S22 C345 | S22-T324 PolarHBondContact OG-OG1 3.05Å; T324-C345 HydrophobicContact CG2-CB 3.63Å; T324-C345 PolarHBondContact O-N 2.87Å |
| 325 | I | 96.3 | Very high | 84.9 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.2 | 170.4 | -173.9 | 172.5 | 0 | 0 | 0 | 108.7 | L288 I295 A297 Y342 I343 I344 | L288-I325 HydrophobicContact CD1-CD1 3.7Å; L288-I325 HydrophobicContact CD1-CG1 3.69Å; L288-I325 HydrophobicContact CG-CD1 4.13Å; L288-I325 HydrophobicContact CG-CG1 4.22Å; I295-I325 HydrophobicContact CG2-CD1 4.4Å; A297-I325 HydrophobicContact CB-CB 4.08Å; A297-I325 HydrophobicContact CB-CD1 4.02Å; A297-I325 HydrophobicContact CB-CG2 3.88Å; I325-Y342 HydrophobicContact CD1-CD2 3.7Å; I325-Y342 HydrophobicContact CD1-CE2 4.16Å; I325-Y342 HydrophobicContact CD1-CG 4.37Å; I325-Y342 HydrophobicContact CG1-CD2 4.07Å; I325-I343 VanDerWaalsContact CA-O 3.27Å; I325-I343 WeakPolarHBondContact CA-O 3.23Å; I325-I344 HydrophobicContact CD1-CG1 4.47Å; I325-I344 HydrophobicContact CG1-CG1 4.29Å |
| 326 | A | 95 | Very high | 83 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y342 I343 C411 | A326-Y342 WeakPolarHBondContact O-CA 2.94Å; A326-I343 PolarHBondContact N-O 3Å; A326-I343 PolarHBondContact O-N 3.48Å; A326-C411 VanDerWaalsContact CB-SG 3.52Å |
| 327 | P | 93.4 | Very high | 81.3 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 144.2 | 173.7 | 29.2 | -30.4 | 0 | 0 | 0 | 110.6 | L288 | L288-P327 HydrophobicContact CD2-CB 3.97Å; L288-P327 HydrophobicContact CD2-CG 4.08Å |
| 328 | M | 91.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 90.5 | 172 | 177.8 | 177.5 | 176.8 | 0 | 0 | 108.9 | W7 F330 Y341 I343 I353 F413 V437 F443 | W7-M328 HydrophobicContact CH2-CE 3.89Å; W7-M328 HydrophobicContact CH2-SD 4.5Å; W7-M328 HydrophobicContact CZ2-CE 3.97Å; M328-F330 VanDerWaalsContact C-N 3.28Å; M328-F330 HydrophobicContact CE-CB 3.95Å; M328-F330 HydrophobicContact CE-CD2 4.16Å; M328-F330 HydrophobicContact CE-CG 4.06Å; M328-F330 HydrophobicContact CG-CB 4.1Å; M328-F330 PolarHBondContact O-N 3.11Å; M328-Y341 CarbonylContact C-O 3.59Å; M328-Y341 WeakPolarHBondContact CA-O 3.47Å; M328-Y341 WeakPolarHBondContact CB-O 3.38Å; M328-Y341 PolarHBondContact N-O 2.85Å; M328-Y341 PolarHBondContact O-N 2.85Å; M328-I343 HydrophobicContact CB-CD1 4.02Å; M328-I343 HydrophobicContact CB-CG1 3.93Å; M328-I343 HydrophobicContact CG-CD1 4.4Å; M328-I343 HydrophobicContact SD-CD1 4.22Å; M328-I343 HydrophobicContact SD-CG1 4.17Å; M328-I353 HydrophobicContact CE-CD1 4.36Å; M328-I353 HydrophobicContact SD-CD1 3.93Å; M328-I353 HydrophobicContact SD-CG1 4.48Å; M328-I353 HydrophobicContact SD-CG2 3.73Å; M328-F413 HydrophobicContact CB-CD1 4.14Å; M328-F413 HydrophobicContact CB-CE1 4.48Å; M328-F413 HydrophobicContact CB-CG 4.22Å; M328-F413 HydrophobicContact CE-CE2 3.81Å; M328-F413 HydrophobicContact CE-CZ 3.84Å; M328-F413 HydrophobicContact CG-CD1 3.76Å; M328-F413 HydrophobicContact CG-CD2 3.98Å; M328-F413 HydrophobicContact CG-CE1 3.67Å; M328-F413 HydrophobicContact CG-CE2 3.9Å; M328-F413 HydrophobicContact CG-CG 3.91Å; M328-F413 HydrophobicContact CG-CZ 3.73Å; M328-F413 HydrophobicContact SD-CE2 4.28Å; M328-F413 HydrophobicContact SD-CZ 4.49Å; M328-V437 HydrophobicContact CE-CG2 4.13Å; M328-F443 HydrophobicContact CE-CD2 3.97Å; M328-F443 HydrophobicContact CE-CE2 3.44Å; M328-F443 VanDerWaalsContact CE-CE2 3.44Å; M328-F443 HydrophobicContact CE-CZ 3.94Å |
| 329 | N | 84.3 | Confident | 78.5 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | trans | -74.9 | 83 | 176.4 | -66 | -22.2 | 0 | 0 | 0 | 109.5 | ||||
| 330 | F | 82.3 | Confident | 77.9 | Confident | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | trans | -110.2 | 113.6 | -178 | -176 | -104.3 | 0 | 0 | 0 | 111.4 | M328 S332 N335 Y341 F413 N421 V437 F443 | M328-F330 VanDerWaalsContact C-N 3.28Å; M328-F330 HydrophobicContact CE-CB 3.95Å; M328-F330 HydrophobicContact CE-CD2 4.16Å; M328-F330 HydrophobicContact CE-CG 4.06Å; M328-F330 HydrophobicContact CG-CB 4.1Å; M328-F330 PolarHBondContact O-N 3.11Å; F330-S332 PolarHBondContact O-N 2.6Å; F330-N335 PolarHBondContact O-ND2 2.8Å; F330-Y341 HydrophobicContact CB-CD2 4.13Å; F330-Y341 HydrophobicContact CD1-CE2 4.45Å; F330-F413 HydrophobicContact CD2-CZ 4.43Å; F330-N421 HydrophobicContact CD2-CB 4.23Å; F330-N421 WeakPolarHBondContact CD2-ND2 3.47Å; F330-N421 HydrophobicContact CE2-CB 4.3Å; F330-N421 VanDerWaalsContact CE2-ND2 3.31Å; F330-N421 WeakPolarHBondContact CE2-ND2 3.2Å; F330-V437 HydrophobicContact CE2-CB 4.25Å; F330-V437 HydrophobicContact CE2-CG1 3.62Å; F330-V437 HydrophobicContact CE2-CG2 4.41Å; F330-V437 HydrophobicContact CZ-CG1 3.96Å; F330-F443 AromaticContact CD1-CD2 3.71Å; F330-F443 HydrophobicContact CD1-CD2 3.71Å; F330-F443 HydrophobicContact CD1-CE2 4.18Å; F330-F443 HydrophobicContact CD2-CE2 4.43Å; F330-F443 AromaticContact CE1-CD2 3.56Å; F330-F443 HydrophobicContact CE1-CD2 3.56Å; F330-F443 AromaticContact CE1-CE2 3.93Å; F330-F443 HydrophobicContact CE1-CE2 3.93Å; F330-F443 HydrophobicContact CE2-CE2 4.22Å; F330-F443 HydrophobicContact CG-CD2 4.3Å; F330-F443 HydrophobicContact CG-CE2 4.41Å; F330-F443 HydrophobicContact CZ-CD2 4.06Å; F330-F443 AromaticContact CZ-CE2 3.96Å; F330-F443 HydrophobicContact CZ-CE2 3.96Å | ||
| 331 | N | 72.2 | Confident | 77.8 | Confident | 139 Ų | 139 | 64 Ų | 64 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | trans | -87.7 | 105.5 | 173.5 | -66.6 | -11 | 0 | 0 | 0 | 108.9 | ||||
| 332 | S | 65.5 | Low | 77.8 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | trans | -97.7 | 150 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | F330 N334 N335 | F330-S332 PolarHBondContact O-N 2.6Å; S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 VanDerWaalsContact O-N 3.1Å; S332-N334 PolarHBondContact OG-N 3.3Å; S332-N335 WeakPolarHBondContact O-CB 3.13Å; S332-N335 PolarHBondContact O-N 3.12Å | ||
| 333 | S | 61.3 | Low | 77.7 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 85% | 0.846 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.1 | 172.2 | -45.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 334 | N | 57.6 | Low | 77.7 | Confident | 111 Ų | 111 | 55.7 Ų | 55.7 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -9.4 | 176.3 | -77.6 | -3.5 | 0 | 0 | 0 | 113.8 | S332 R336 N442 | S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 VanDerWaalsContact O-N 3.1Å; S332-N334 PolarHBondContact OG-N 3.3Å; N334-R336 PolarHBondContact O-N 2.89Å; N334-N442 PolarHBondContact ND2-ND2 2.92Å |
| 335 | N | 54.7 | Low | 77.7 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -79.6 | 65.7 | -178.5 | -162.7 | -2.7 | 0 | 0 | 0 | 110.3 | F330 S332 N337 H338 E339 | F330-N335 PolarHBondContact O-ND2 2.8Å; S332-N335 WeakPolarHBondContact O-CB 3.13Å; S332-N335 PolarHBondContact O-N 3.12Å; N335-N337 PolarHBondContact O-N 2.9Å; N335-H338 PolarHBondContact OD1-N 2.81Å; N335-E339 PolarHBondContact ND2-O 2.9Å; N335-E339 PolarHBondContact OD1-N 2.74Å | ||
| 336 | R | 52.4 | Low | 77.7 | Confident | 222 Ų | 222 | 54.5 Ų | 54.5 | 84% | 0.838 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.9 | 177.6 | -67.6 | -175.3 | 179.9 | 172 | 0.4 | 112.4 | N334 | N334-R336 PolarHBondContact O-N 2.89Š|
| 337 | N | 54.7 | Low | 77.7 | Confident | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 4.3 | -167.2 | -77.2 | -10 | 0 | 0 | 0 | 115.1 | N335 E339 | N335-N337 PolarHBondContact O-N 2.9Å; N337-E339 HydrophobicContact CB-CG 3.79Å; N337-E339 VanDerWaalsContact CB-OE1 3.25Å; N337-E339 WeakPolarHBondContact CB-OE1 3.5Å; N337-E339 PolarHBondContact ND2-OE1 2.91Å; N337-E339 PolarHBondContact O-N 2.86Å |
| 338 | H | 56.5 | Low | 77.6 | Confident | 124 Ų | 124 | 55.6 Ų | 55.6 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | trans | 51.8 | 38.4 | -173.1 | -61.1 | 72.8 | 0 | 0 | 0 | 111.5 | N335 I340 | N335-H338 PolarHBondContact OD1-N 2.81Å; H338-I340 PolarHBondContact O-N 2.79Å | ||
| 339 | E | 67.4 | Low | 77.5 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 126.4 | 176.3 | -76.2 | 162 | -161.2 | 0 | 0 | 108.5 | N335 N337 | N335-E339 PolarHBondContact ND2-O 2.9Å; N335-E339 PolarHBondContact OD1-N 2.74Å; N337-E339 HydrophobicContact CB-CG 3.79Å; N337-E339 VanDerWaalsContact CB-OE1 3.25Å; N337-E339 WeakPolarHBondContact CB-OE1 3.5Å; N337-E339 PolarHBondContact ND2-OE1 2.91Å; N337-E339 PolarHBondContact O-N 2.86Å |
| 340 | I | 75 | Confident | 77.9 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 119 | 178.5 | -58.4 | -174.2 | 0 | 0 | 0 | 107.6 | T290 H338 | T290-I340 HydrophobicContact CG2-CB 3.74Å; T290-I340 HydrophobicContact CG2-CD1 4.03Å; T290-I340 HydrophobicContact CG2-CG1 4.07Å; H338-I340 PolarHBondContact O-N 2.79Å |
| 341 | Y | 89.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 151.5 | 169.3 | -62.9 | -95.6 | 0 | 0 | 0 | 109 | M328 F330 I353 Y354 C355 C360 F443 | M328-Y341 CarbonylContact C-O 3.59Å; M328-Y341 WeakPolarHBondContact CA-O 3.47Å; M328-Y341 WeakPolarHBondContact CB-O 3.38Å; M328-Y341 PolarHBondContact N-O 2.85Å; M328-Y341 PolarHBondContact O-N 2.85Å; F330-Y341 HydrophobicContact CB-CD2 4.13Å; F330-Y341 HydrophobicContact CD1-CE2 4.45Å; Y341-I353 HydrophobicContact CD1-CG2 4.19Å; Y341-Y354 CarbonylContact C-O 3.57Å; Y341-Y354 WeakPolarHBondContact CA-O 3.13Å; Y341-C355 HydrophobicContact CD1-CB 3.82Å; Y341-C355 HydrophobicContact CE1-CB 3.75Å; Y341-C360 HydrophobicContact CD1-CB 4.33Å; Y341-C360 HydrophobicContact CE1-CB 4.21Å; Y341-F443 HydrophobicContact CD1-CB 4.26Å; Y341-F443 HydrophobicContact CE1-CB 3.71Å; Y341-F443 WeakPolarHBondContact CE1-O 3.33Å; Y341-F443 PolarHBondContact OH-O 2.83Å |
| 342 | Y | 93.7 | Very high | 79.6 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.7 | 172.9 | 64.1 | -90.4 | 0 | 0 | 0 | 111.1 | L288 I295 V303 I325 A326 I344 I353 Y354 D356 | L288-Y342 HydrophobicContact CD1-CG 4.03Å; I295-Y342 HydrophobicContact CD1-CD1 3.77Å; I295-Y342 HydrophobicContact CD1-CE1 3.66Å; I295-Y342 HydrophobicContact CG2-CD1 4.49Å; I295-Y342 HydrophobicContact CG2-CE1 4.13Å; I295-Y342 HydrophobicContact CG2-CE2 4.48Å; V303-Y342 HydrophobicContact CG1-CE2 4.32Å; I325-Y342 HydrophobicContact CD1-CD2 3.7Å; I325-Y342 HydrophobicContact CD1-CE2 4.16Å; I325-Y342 HydrophobicContact CD1-CG 4.37Å; I325-Y342 HydrophobicContact CG1-CD2 4.07Å; A326-Y342 WeakPolarHBondContact O-CA 2.94Å; Y342-I344 HydrophobicContact CD2-CD1 4.18Å; Y342-I344 HydrophobicContact CD2-CG1 3.97Å; Y342-I344 HydrophobicContact CE2-CD1 3.61Å; Y342-I344 HydrophobicContact CE2-CG1 3.92Å; Y342-I353 WeakPolarHBondContact O-CA 3.13Å; Y342-Y354 HydrophobicContact CE2-CD2 4.01Å; Y342-Y354 AromaticContact CE2-CG 3.86Å; Y342-Y354 HydrophobicContact CE2-CG 3.86Å; Y342-Y354 AromaticContact CZ-CG 3.94Å; Y342-Y354 PolarHBondContact N-O 2.78Å; Y342-Y354 PolarHBondContact O-N 2.96Å; Y342-D356 WeakPolarHBondContact CE1-O 3.48Å; Y342-D356 PolarHBondContact OH-O 3.06Å |
| 343 | I | 95.8 | Very high | 81 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.6 | -174.6 | -57.7 | 171.3 | 0 | 0 | 0 | 107.7 | I325 A326 M328 V351 Q352 I353 F413 L423 | I325-I343 VanDerWaalsContact CA-O 3.27Å; I325-I343 WeakPolarHBondContact CA-O 3.23Å; A326-I343 PolarHBondContact N-O 3Å; A326-I343 PolarHBondContact O-N 3.48Å; M328-I343 HydrophobicContact CB-CD1 4.02Å; M328-I343 HydrophobicContact CB-CG1 3.93Å; M328-I343 HydrophobicContact CG-CD1 4.4Å; M328-I343 HydrophobicContact SD-CD1 4.22Å; M328-I343 HydrophobicContact SD-CG1 4.17Å; I343-V351 HydrophobicContact CG2-CG1 3.54Å; I343-Q352 WeakPolarHBondContact CA-O 3.18Å; I343-I353 HydrophobicContact CG1-CG1 4.45Å; I343-F413 HydrophobicContact CD1-CB 4.08Å; I343-F413 HydrophobicContact CD1-CD2 4.27Å; I343-F413 HydrophobicContact CD1-CG 4.42Å; I343-L423 HydrophobicContact CD1-CD1 3.43Å; I343-L423 VanDerWaalsContact CD1-CD1 3.43Å; I343-L423 HydrophobicContact CD1-CD2 3.99Å; I343-L423 HydrophobicContact CD1-CG 4.27Å |
| 344 | I | 96.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | 172.4 | -70 | -176.1 | 0 | 0 | 0 | 108.6 | V303 I322 I325 Y342 L346 V351 Q352 Y354 | V303-I344 HydrophobicContact CG2-CD1 3.45Å; V303-I344 VanDerWaalsContact CG2-CD1 3.45Å; I322-I344 HydrophobicContact CG1-CG2 4.23Å; I322-I344 HydrophobicContact CG2-CG2 4.11Å; I325-I344 HydrophobicContact CD1-CG1 4.47Å; I325-I344 HydrophobicContact CG1-CG1 4.29Å; Y342-I344 HydrophobicContact CD2-CD1 4.18Å; Y342-I344 HydrophobicContact CD2-CG1 3.97Å; Y342-I344 HydrophobicContact CE2-CD1 3.61Å; Y342-I344 HydrophobicContact CE2-CG1 3.92Å; I344-L346 HydrophobicContact CG2-CD2 3.53Å; I344-L346 HydrophobicContact CG2-CG 3.96Å; I344-V351 WeakPolarHBondContact O-CA 3.48Å; I344-Q352 PolarHBondContact N-O 3.28Å; I344-Q352 PolarHBondContact O-N 2.83Å; I344-Y354 HydrophobicContact CB-CD2 4.28Å; I344-Y354 HydrophobicContact CB-CE2 4.11Å; I344-Y354 HydrophobicContact CD1-CD2 3.97Å; I344-Y354 HydrophobicContact CD1-CE2 4.01Å; I344-Y354 HydrophobicContact CG1-CD2 4.13Å; I344-Y354 HydrophobicContact CG1-CE2 4.32Å |
| 345 | C | 97.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.3 | 169.8 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | L323 T324 I408 | L323-C345 PolarHBondContact N-O 2.92Å; T324-C345 HydrophobicContact CG2-CB 3.63Å; T324-C345 PolarHBondContact O-N 2.87Å; C345-I408 HydrophobicContact CB-CB 4.08Å; C345-I408 HydrophobicContact CB-CG2 4.26Å; C345-I408 WeakPolarHBondContact CB-O 3.49Å |
| 346 | L | 95.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 157.8 | -177.6 | -63.6 | -177.8 | 0 | 0 | 0 | 111.5 | H318 C320 E321 I322 I344 D348 G349 S350 | H318-L346 HydrophobicContact CB-CD1 4.41Å; H318-L346 HydrophobicContact CB-CD2 4.12Å; C320-L346 HydrophobicContact CB-CB 4.35Å; E321-L346 CarbonylContact O-C 3.57Å; E321-L346 VanDerWaalsContact O-CA 3.28Å; E321-L346 WeakPolarHBondContact O-CA 3.46Å; I322-L346 HydrophobicContact CB-CD2 4.4Å; I322-L346 HydrophobicContact CG1-CD2 3.76Å; I344-L346 HydrophobicContact CG2-CD2 3.53Å; I344-L346 HydrophobicContact CG2-CG 3.96Å; L346-D348 VanDerWaalsContact CB-OD1 3.23Å; L346-D348 WeakPolarHBondContact CB-OD1 3.49Å; L346-D348 PolarHBondContact O-N 2.77Å; L346-G349 PolarHBondContact O-N 2.81Å; L346-S350 WeakPolarHBondContact CD1-OG 3.31Å; L346-S350 PolarHBondContact N-O 3.13Å |
| 347 | S | 94.3 | Very high | 87 | Confident | 37 Ų | 37 | 25 Ų | 25 | 26% | 0.259 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.1 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 115 | E321 G349 | E321-S347 PolarHBondContact N-OG 3.49Å; E321-S347 PolarHBondContact O-N 3.27Å; S347-G349 PolarHBondContact O-N 2.58Å |
| 348 | D | 91.3 | Very high | 88.6 | Confident | 53 Ų | 53 | 23.3 Ų | 23.3 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.1 | 170.5 | 69.6 | -11.7 | 0 | 0 | 0 | 113.4 | C320 L346 S350 W366 P405 | C320-D348 HydrophobicContact CB-CB 4.44Å; L346-D348 VanDerWaalsContact CB-OD1 3.23Å; L346-D348 WeakPolarHBondContact CB-OD1 3.49Å; L346-D348 PolarHBondContact O-N 2.77Å; D348-S350 VanDerWaalsContact C-N 3.31Å; D348-S350 VanDerWaalsContact OD1-CB 3.27Å; D348-S350 WeakPolarHBondContact OD1-CB 3.25Å; D348-S350 PolarHBondContact OD1-N 3.32Å; D348-S350 PolarHBondContact OD1-OG 3.28Å; D348-S350 PolarHBondContact OD2-OG 2.9Å; D348-W366 WeakPolarHBondContact O-CB 3.43Å; D348-P405 VanDerWaalsContact O-CB 3.28Å; D348-P405 WeakPolarHBondContact O-CB 3.37Å |
| 349 | G | 89.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 81.9 | 5.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L346 S347 I364 | L346-G349 PolarHBondContact O-N 2.81Å; S347-G349 PolarHBondContact O-N 2.58Å; G349-I364 WeakPolarHBondContact O-CG2 3.03Å |
| 350 | S | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | trans | -76.3 | 143.4 | 171.3 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | L346 D348 Q352 I364 | L346-S350 WeakPolarHBondContact CD1-OG 3.31Å; L346-S350 PolarHBondContact N-O 3.13Å; D348-S350 VanDerWaalsContact C-N 3.31Å; D348-S350 VanDerWaalsContact OD1-CB 3.27Å; D348-S350 WeakPolarHBondContact OD1-CB 3.25Å; D348-S350 PolarHBondContact OD1-N 3.32Å; D348-S350 PolarHBondContact OD1-OG 3.28Å; D348-S350 PolarHBondContact OD2-OG 2.9Å; S350-Q352 PolarHBondContact OG-NE2 3.02Å; S350-Q352 VanDerWaalsContact OG-NE2 3.08Å; S350-I364 VanDerWaalsContact CA-O 3.3Å; S350-I364 WeakPolarHBondContact CA-O 3.26Å; S350-I364 WeakPolarHBondContact CB-O 3.38Å | ||
| 351 | V | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.6 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | I343 I344 K362 C363 I364 I408 L425 | I343-V351 HydrophobicContact CG2-CG1 3.54Å; I344-V351 WeakPolarHBondContact O-CA 3.48Å; V351-K362 CarbonylContact O-C 3.51Å; V351-C363 HydrophobicContact CB-CB 4.46Å; V351-C363 HydrophobicContact CG1-CB 4.35Å; V351-C363 WeakPolarHBondContact O-CB 3.41Å; V351-C363 PolarHBondContact O-N 2.87Å; V351-I364 HydrophobicContact CB-CB 3.9Å; V351-I364 HydrophobicContact CB-CD1 4.09Å; V351-I364 HydrophobicContact CB-CG1 4.29Å; V351-I364 HydrophobicContact CG2-CB 4.06Å; V351-I364 HydrophobicContact CG2-CD1 3.77Å; V351-I364 HydrophobicContact CG2-CG1 4.4Å; V351-I364 PolarHBondContact N-O 2.56Å; V351-I364 PolarHBondContact O-N 2.84Å; V351-I408 HydrophobicContact CG2-CB 4.16Å; V351-I408 HydrophobicContact CG2-CG1 3.7Å; V351-L425 HydrophobicContact CG2-CD1 4.27Å |
| 352 | Q | 95 | Very high | 92.2 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 9% | 0.089 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.5 | -168.4 | -61.1 | -176.8 | 23 | 0 | 0 | 110.1 | I343 I344 S350 Y354 L359 D361 K362 | I343-Q352 WeakPolarHBondContact CA-O 3.18Å; I344-Q352 PolarHBondContact N-O 3.28Å; I344-Q352 PolarHBondContact O-N 2.83Å; S350-Q352 PolarHBondContact OG-NE2 3.02Å; S350-Q352 VanDerWaalsContact OG-NE2 3.08Å; Q352-Y354 HydrophobicContact CB-CD2 4.31Å; Q352-Y354 HydrophobicContact CB-CE2 3.52Å; Q352-Y354 PolarHBondContact OE1-OH 2.82Å; Q352-L359 HydrophobicContact CB-CD1 3.97Å; Q352-L359 HydrophobicContact CG-CD1 4.49Å; Q352-D361 WeakPolarHBondContact CA-O 3.23Å; Q352-K362 HydrophobicContact CG-CG 4.4Å |
| 353 | I | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.8 | -175.5 | -53.4 | -179.2 | 0 | 0 | 0 | 108.3 | W7 M328 Y341 Y342 I343 C360 D361 C363 F443 | W7-I353 HydrophobicContact CH2-CD1 4.21Å; W7-I353 HydrophobicContact CZ2-CD1 3.24Å; M328-I353 HydrophobicContact CE-CD1 4.36Å; M328-I353 HydrophobicContact SD-CD1 3.93Å; M328-I353 HydrophobicContact SD-CG1 4.48Å; M328-I353 HydrophobicContact SD-CG2 3.73Å; Y341-I353 HydrophobicContact CD1-CG2 4.19Å; Y342-I353 WeakPolarHBondContact O-CA 3.13Å; I343-I353 HydrophobicContact CG1-CG1 4.45Å; I353-C360 PolarHBondContact O-N 2.83Å; I353-D361 HydrophobicContact CB-CB 4.12Å; I353-D361 HydrophobicContact CD1-CB 4.12Å; I353-D361 HydrophobicContact CG1-CB 4.32Å; I353-D361 PolarHBondContact N-O 2.92Å; I353-D361 PolarHBondContact O-N 2.78Å; I353-C363 HydrophobicContact CD1-CB 4.12Å; I353-C363 HydrophobicContact CG1-CB 4.27Å; I353-F443 HydrophobicContact CD1-CE1 4.06Å; I353-F443 HydrophobicContact CD1-CZ 4.38Å |
| 354 | Y | 91.9 | Very high | 92 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.5 | -173.2 | -71.6 | -85.1 | 0 | 0 | 0 | 111.3 | H318 Y341 Y342 I344 Q352 H358 L359 I449 | H318-Y354 AromaticContact CE1-CE2 3.67Å; H318-Y354 AromaticContact CE1-CZ 3.41Å; H318-Y354 VanDerWaalsContact CE1-CZ 3.41Å; H318-Y354 PolarHBondContact CE1-OH 3.5Å; H318-Y354 PolarHBondContact ND1-OH 2.77Å; Y341-Y354 CarbonylContact C-O 3.57Å; Y341-Y354 WeakPolarHBondContact CA-O 3.13Å; Y342-Y354 HydrophobicContact CE2-CD2 4.01Å; Y342-Y354 AromaticContact CE2-CG 3.86Å; Y342-Y354 HydrophobicContact CE2-CG 3.86Å; Y342-Y354 AromaticContact CZ-CG 3.94Å; Y342-Y354 PolarHBondContact N-O 2.78Å; Y342-Y354 PolarHBondContact O-N 2.96Å; I344-Y354 HydrophobicContact CB-CD2 4.28Å; I344-Y354 HydrophobicContact CB-CE2 4.11Å; I344-Y354 HydrophobicContact CD1-CD2 3.97Å; I344-Y354 HydrophobicContact CD1-CE2 4.01Å; I344-Y354 HydrophobicContact CG1-CD2 4.13Å; I344-Y354 HydrophobicContact CG1-CE2 4.32Å; Q352-Y354 HydrophobicContact CB-CD2 4.31Å; Q352-Y354 HydrophobicContact CB-CE2 3.52Å; Q352-Y354 PolarHBondContact OE1-OH 2.82Å; Y354-H358 VanDerWaalsContact CA-O 3.27Å; Y354-H358 WeakPolarHBondContact CA-O 3.39Å; Y354-H358 WeakPolarHBondContact CD1-O 3.35Å; Y354-L359 HydrophobicContact CD1-CB 4.23Å; Y354-L359 HydrophobicContact CD1-CD1 4.33Å; Y354-L359 HydrophobicContact CE1-CB 3.73Å; Y354-L359 HydrophobicContact CE1-CD1 3.71Å; Y354-L359 HydrophobicContact CE1-CG 4.32Å; Y354-L359 HydrophobicContact CE2-CD1 4.08Å; Y354-I449 HydrophobicContact CE1-CD1 3.41Å; Y354-I449 VanDerWaalsContact CE1-CD1 3.41Å; Y354-I449 HydrophobicContact CE1-CG1 4.38Å; Y354-I449 VanDerWaalsContact OH-CD1 3.32Å; Y354-I449 WeakPolarHBondContact OH-CD1 3.43Å |
| 355 | C | 89.4 | Confident | 91.6 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119.5 | 166.2 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | Y341 Q357 H358 C360 | Y341-C355 HydrophobicContact CD1-CB 3.82Å; Y341-C355 HydrophobicContact CE1-CB 3.75Å; C355-Q357 PolarHBondContact O-N 3.18Å; C355-H358 PolarHBondContact N-O 3.39Å; C355-H358 WeakPolarHBondContact O-CB 3.46Å; C355-H358 PolarHBondContact O-N 3.15Å; C355-C360 WeakPolarHBondContact CB-SG 3.35Å; C355-C360 PolarHBondContact N-SG 3.31Å |
| 356 | D | 84.9 | Confident | 90.9 | Very high | 49 Ų | 49 | 22.4 Ų | 22.4 | 26% | 0.262 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -122.9 | -167.4 | -64.2 | -38.3 | 0 | 0 | 0 | 111.5 | W314 Y342 H358 | W314-D356 WeakPolarHBondContact CH2-O 3.25Å; W314-D356 VanDerWaalsContact CZ2-C 3.44Å; W314-D356 HydrophobicContact CZ2-CB 4.3Å; Y342-D356 WeakPolarHBondContact CE1-O 3.48Å; Y342-D356 PolarHBondContact OH-O 3.06Å; D356-H358 VanDerWaalsContact C-N 3.33Å |
| 357 | Q | 85.9 | Confident | 90 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.2 | 179.2 | 65.2 | -178.5 | 2 | 0 | 0 | 114.1 | W314 V316 C355 V448 S451 | W314-Q357 HydrophobicContact CB-CB 4.41Å; W314-Q357 HydrophobicContact CD2-CB 3.79Å; W314-Q357 HydrophobicContact CE3-CB 3.95Å; W314-Q357 HydrophobicContact CG-CB 3.98Å; W314-Q357 HydrophobicContact CZ3-CB 4.47Å; V316-Q357 HydrophobicContact CG2-CB 3.95Å; C355-Q357 PolarHBondContact O-N 3.18Å; Q357-V448 HydrophobicContact CG-CG1 4.4Å; Q357-S451 PolarHBondContact OE1-OG 3.29Å |
| 358 | H | 88.2 | Confident | 88.7 | Confident | 48 Ų | 48 | 29.1 Ų | 29.1 | 22% | 0.222 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.1 | -168.3 | -58.6 | -75.9 | 0 | 0 | 0 | 112.3 | Y354 C355 D356 C360 P445 D447 V448 | Y354-H358 VanDerWaalsContact CA-O 3.27Å; Y354-H358 WeakPolarHBondContact CA-O 3.39Å; Y354-H358 WeakPolarHBondContact CD1-O 3.35Å; C355-H358 PolarHBondContact N-O 3.39Å; C355-H358 WeakPolarHBondContact O-CB 3.46Å; C355-H358 PolarHBondContact O-N 3.15Å; D356-H358 VanDerWaalsContact C-N 3.33Å; H358-C360 PolarHBondContact O-N 2.71Å; H358-P445 HydrophobicContact CB-CB 3.72Å; H358-P445 HydrophobicContact CB-CG 4.28Å; H358-D447 WeakPolarHBondContact CA-O 3.46Å; H358-V448 VanDerWaalsContact CE1-CG2 3.41Å; H358-V448 WeakPolarHBondContact CE1-CG2 3.04Å; H358-V448 WeakPolarHBondContact ND1-CG2 3.12Å |
| 359 | L | 90.6 | Very high | 87.2 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.2 | 172.4 | 178 | 68.9 | 0 | 0 | 0 | 109 | Q352 Y354 D361 K362 M446 D447 | Q352-L359 HydrophobicContact CB-CD1 3.97Å; Q352-L359 HydrophobicContact CG-CD1 4.49Å; Y354-L359 HydrophobicContact CD1-CB 4.23Å; Y354-L359 HydrophobicContact CD1-CD1 4.33Å; Y354-L359 HydrophobicContact CE1-CB 3.73Å; Y354-L359 HydrophobicContact CE1-CD1 3.71Å; Y354-L359 HydrophobicContact CE1-CG 4.32Å; Y354-L359 HydrophobicContact CE2-CD1 4.08Å; L359-D361 WeakPolarHBondContact CD1-O 3.15Å; L359-K362 HydrophobicContact CD1-CG 4.4Å; L359-K362 HydrophobicContact CD2-CD 4.41Å; L359-K362 HydrophobicContact CD2-CG 3.99Å; L359-M446 PolarHBondContact O-N 3.35Å; L359-D447 PolarHBondContact N-O 3.46Å; L359-D447 VanDerWaalsContact N-O 3.12Å |
| 360 | C | 89.8 | Confident | 85.5 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -31.9 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | Y341 I353 C355 H358 F443 M446 | Y341-C360 HydrophobicContact CD1-CB 4.33Å; Y341-C360 HydrophobicContact CE1-CB 4.21Å; I353-C360 PolarHBondContact O-N 2.83Å; C355-C360 WeakPolarHBondContact CB-SG 3.35Å; C355-C360 PolarHBondContact N-SG 3.31Å; H358-C360 PolarHBondContact O-N 2.71Å; C360-F443 HydrophobicContact CB-CB 4.14Å; C360-M446 WeakPolarHBondContact O-CE 3.25Å |
| 361 | D | 92.1 | Very high | 82.9 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 148.8 | 177.4 | -169.7 | 26 | 0 | 0 | 0 | 112.2 | S4 W7 Q352 I353 L359 F443 M446 | S4-D361 WeakPolarHBondContact CB-OD1 3.34Å; S4-D361 PolarHBondContact OG-OD1 2.83Å; S4-D361 PolarHBondContact OG-OD2 2.92Å; W7-D361 PolarHBondContact NE1-OD2 2.8Å; Q352-D361 WeakPolarHBondContact CA-O 3.23Å; I353-D361 HydrophobicContact CB-CB 4.12Å; I353-D361 HydrophobicContact CD1-CB 4.12Å; I353-D361 HydrophobicContact CG1-CB 4.32Å; I353-D361 PolarHBondContact N-O 2.92Å; I353-D361 PolarHBondContact O-N 2.78Å; L359-D361 WeakPolarHBondContact CD1-O 3.15Å; D361-F443 HydrophobicContact CB-CD1 3.76Å; D361-F443 HydrophobicContact CB-CE1 3.9Å; D361-M446 VanDerWaalsContact CA-CE 3.48Å |
| 362 | K | 92.1 | Very high | 80 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 78.5 | 167.1 | -65.2 | -172.8 | -179.9 | -179.6 | 0 | 107.8 | S4 V351 Q352 L359 I364 T365 | S4-K362 WeakPolarHBondContact CB-O 3.28Å; V351-K362 CarbonylContact O-C 3.51Å; Q352-K362 HydrophobicContact CG-CG 4.4Å; L359-K362 HydrophobicContact CD1-CG 4.4Å; L359-K362 HydrophobicContact CD2-CD 4.41Å; L359-K362 HydrophobicContact CD2-CG 3.99Å; K362-I364 VanDerWaalsContact C-N 3.27Å; K362-I364 PolarHBondContact O-N 2.87Å; K362-T365 HydrophobicContact CB-CG2 3.87Å; K362-T365 HydrophobicContact CD-CG2 4.19Å |
| 363 | C | 93.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50 | -47.5 | -176 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | I3 S4 V351 I353 L435 | I3-C363 CarbonylContact C-O 3.45Å; I3-C363 WeakPolarHBondContact CA-O 3.34Å; S4-C363 PolarHBondContact N-O 2.89Å; V351-C363 HydrophobicContact CB-CB 4.46Å; V351-C363 HydrophobicContact CG1-CB 4.35Å; V351-C363 WeakPolarHBondContact O-CB 3.41Å; V351-C363 PolarHBondContact O-N 2.87Å; I353-C363 HydrophobicContact CD1-CB 4.12Å; I353-C363 HydrophobicContact CG1-CB 4.27Å; C363-L435 VanDerWaalsContact SG-CD1 3.58Å |
| 364 | I | 92.4 | Very high | 73.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.5 | 176.1 | -68.5 | 164.6 | 0 | 0 | 0 | 109.2 | M1 T2 I3 G349 S350 V351 K362 L425 L435 | M1-I364 HydrophobicContact CE-CB 4.05Å; M1-I364 HydrophobicContact CE-CD1 3.32Å; M1-I364 HydrophobicContact CE-CG1 3.55Å; M1-I364 HydrophobicContact CE-CG2 3.31Å; M1-I364 HydrophobicContact CG-CG2 3.93Å; M1-I364 HydrophobicContact SD-CG2 4.4Å; T2-I364 WeakPolarHBondContact O-CA 3.44Å; I3-I364 HydrophobicContact CG1-CG1 4.42Å; G349-I364 WeakPolarHBondContact O-CG2 3.03Å; S350-I364 VanDerWaalsContact CA-O 3.3Å; S350-I364 WeakPolarHBondContact CA-O 3.26Å; S350-I364 WeakPolarHBondContact CB-O 3.38Å; V351-I364 HydrophobicContact CB-CB 3.9Å; V351-I364 HydrophobicContact CB-CD1 4.09Å; V351-I364 HydrophobicContact CB-CG1 4.29Å; V351-I364 HydrophobicContact CG2-CB 4.06Å; V351-I364 HydrophobicContact CG2-CD1 3.77Å; V351-I364 HydrophobicContact CG2-CG1 4.4Å; V351-I364 PolarHBondContact N-O 2.56Å; V351-I364 PolarHBondContact O-N 2.84Å; K362-I364 VanDerWaalsContact C-N 3.27Å; K362-I364 PolarHBondContact O-N 2.87Å; I364-L425 HydrophobicContact CD1-CD1 3.22Å; I364-L435 HydrophobicContact CD1-CD1 4.15Å; I364-L435 HydrophobicContact CG1-CD1 4.44Å |
| 365 | T | 88.6 | Confident | 70.4 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.6 | 165.2 | 60.7 | 0 | 0 | 0 | 0 | 111 | T2 K362 | T2-T365 PolarHBondContact N-O 3.08Å; T2-T365 PolarHBondContact O-N 2.85Å; T2-T365 PolarHBondContact OG1-O 3.17Å; T2-T365 PolarHBondContact OG1-OG1 3.21Å; K362-T365 HydrophobicContact CB-CG2 3.87Å; K362-T365 HydrophobicContact CD-CG2 4.19Å |
| 366 | W | 81.5 | Confident | 67.3 | Low | 39 Ų | 39 | 72.6 Ų | 72.6 | 15% | 0.148 | 40% | 0.398 | C | S | . | . | trans | -80.7 | 135.4 | 172 | -169 | -101 | 0 | 0 | 0 | 109.9 | M1 D348 Y400 L402 K404 P405 | M1-W366 HydrophobicContact CB-CE3 4.04Å; M1-W366 HydrophobicContact CB-CZ3 3.99Å; M1-W366 HydrophobicContact CG-CE3 4.39Å; D348-W366 WeakPolarHBondContact O-CB 3.43Å; W366-Y400 AromaticContact CH2-CD1 3.56Å; W366-Y400 HydrophobicContact CH2-CD1 3.56Å; W366-Y400 AromaticContact CH2-CE1 3.46Å; W366-Y400 HydrophobicContact CH2-CE1 3.46Å; W366-Y400 VanDerWaalsContact CH2-CE1 3.46Å; W366-Y400 AromaticContact CZ3-CD1 3.55Å; W366-Y400 HydrophobicContact CZ3-CD1 3.55Å; W366-Y400 AromaticContact CZ3-CE1 3.6Å; W366-Y400 HydrophobicContact CZ3-CE1 3.6Å; W366-L402 HydrophobicContact CH2-CB 3.78Å; W366-L402 HydrophobicContact CZ2-CB 3.84Å; W366-L402 WeakPolarHBondContact CZ2-O 3.42Å; W366-K404 WeakPolarHBondContact CZ2-O 3.49Å; W366-P405 HydrophobicContact CD2-CB 4.28Å; W366-P405 HydrophobicContact CG-CB 4Å | ||
| 367 | I | 77.1 | Confident | 64.5 | Low | 80 Ų | 80 | 76.8 Ų | 76.8 | 41% | 0.41 | 42% | 0.421 | S | S | . | . | trans | -115.4 | 117.7 | 176.6 | -55.8 | -179.6 | 0 | 0 | 0 | 106.6 | T2 | T2-I367 HydrophobicContact CG2-CD1 3.39Å; T2-I367 HydrophobicContact CG2-CG1 4.3Å | ||
| 368 | P | 66.9 | Low | 61.6 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 64% | 0.643 | 45% | 0.446 | S | S | * | . | trans | -59.1 | 141.3 | 173.8 | -20.1 | 31.2 | 0 | 0 | 0 | 110.7 | T370 | P368-T370 PolarHBondContact O-N 2.83Å; P368-T370 VanDerWaalsContact O-N 3.11Å | ||
| 369 | S | 59.5 | Low | 58.7 | Low | 65 Ų | 65 | 86 Ų | 86 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | trans | -65.7 | 110.6 | 167.1 | 57.1 | 0 | 0 | 0 | 0 | 108.8 | Q371 | S369-Q371 PolarHBondContact O-N 2.99Š| ||
| 370 | T | 53.1 | Low | 55.5 | Low | 112 Ų | 112 | 91.4 Ų | 91.4 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | trans | -64.6 | 122.6 | 158.9 | 48.4 | 0 | 0 | 0 | 0 | 106.5 | P368 N372 | P368-T370 PolarHBondContact O-N 2.83Å; P368-T370 VanDerWaalsContact O-N 3.11Å; T370-N372 VanDerWaalsContact C-N 3.32Å; T370-N372 PolarHBondContact O-N 2.85Å | ||
| 371 | Q | 39.7 | Very low | 52.4 | Low | 173 Ų | 173 | 96.5 Ų | 96.5 | 81% | 0.808 | 54% | 0.544 | S | S | * | . | trans | -59.9 | 100.4 | 170.2 | -67.9 | -176.7 | 1.8 | 0 | 0 | 107.2 | S369 T373 | S369-Q371 PolarHBondContact O-N 2.99Å; Q371-T373 VanDerWaalsContact C-N 3.25Å; Q371-T373 PolarHBondContact O-N 2.91Å | ||
| 372 | N | 34.3 | Very low | 49.2 | Very low | 132 Ų | 132 | 103.3 Ų | 103.3 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | trans | -72.2 | 93.4 | 164.8 | -79.4 | -3.9 | 0 | 0 | 0 | 106.1 | T370 T374 | T370-N372 VanDerWaalsContact C-N 3.32Å; T370-N372 PolarHBondContact O-N 2.85Å; N372-T374 PolarHBondContact O-N 2.77Å | ||
| 373 | T | 25.1 | Very low | 45.9 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | trans | -68.2 | 73.5 | 161.5 | 48.9 | 0 | 0 | 0 | 0 | 108.6 | Q371 | Q371-T373 VanDerWaalsContact C-N 3.25Å; Q371-T373 PolarHBondContact O-N 2.91Å | ||
| 374 | T | 28.1 | Very low | 42.6 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 68% | 0.681 | 63% | 0.629 | S | S | * | * | trans | -150.2 | 104.3 | 165.8 | 49 | 0 | 0 | 0 | 0 | 108.9 | N372 | N372-T374 PolarHBondContact O-N 2.77Š| ||
| 375 | S | 25.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | trans | 24.8 | 120.8 | 141.8 | -47 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 376 | E | 24.7 | Very low | 36.2 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | 61.5 | 139.1 | 133.5 | -65 | -179.5 | 161.2 | 0 | 0 | 120.1 | ||||
| 377 | D | 25.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 91.4 | 110.7 | 156.2 | -68.4 | -7.4 | 0 | 0 | 0 | 121 | ||||
| 378 | N | 26.1 | Very low | 30.9 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 90.2 | 100.4 | 137.3 | -62.8 | -32.8 | 0 | 0 | 0 | 119.7 | ||||
| 379 | N | 26.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 41.3 | 90.6 | 138.3 | -72.1 | -20 | 0 | 0 | 0 | 116.9 | T381 | N379-T381 PolarHBondContact O-N 3.16Å; N379-T381 PolarHBondContact O-OG1 2.79Å | ||
| 380 | S | 24.9 | Very low | 27.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -56.2 | 92.9 | 169.6 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 381 | T | 23.9 | Very low | 26 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | -107.5 | 121 | 162.9 | -30.9 | 0 | 0 | 0 | 0 | 106.7 | N379 K383 | N379-T381 PolarHBondContact O-N 3.16Å; N379-T381 PolarHBondContact O-OG1 2.79Å; T381-K383 PolarHBondContact O-N 2.94Å | ||
| 382 | I | 25.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -53.6 | 105.5 | 179.7 | -60.8 | 162.5 | 0 | 0 | 0 | 108.7 | ||||
| 383 | K | 22.1 | Very low | 25.7 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -122.8 | 117.1 | 173.7 | -83.6 | -174.2 | 176.7 | 177.5 | 0 | 108.8 | T381 T385 | T381-K383 PolarHBondContact O-N 2.94Å; K383-T385 PolarHBondContact O-N 2.8Å | ||
| 384 | V | 23.3 | Very low | 26.3 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 97.8 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 385 | T | 24.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -88.5 | 104.3 | 174.1 | 30.7 | 0 | 0 | 0 | 0 | 109.6 | K383 T387 | K383-T385 PolarHBondContact O-N 2.8Å; T385-T387 VanDerWaalsContact C-N 3.32Å; T385-T387 PolarHBondContact O-N 3.13Å | ||
| 386 | E | 22.3 | Very low | 28.2 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 91.1 | 161.2 | -69 | -176.1 | 164.4 | 0 | 0 | 107.8 | G388 | E386-G388 PolarHBondContact O-N 2.86Š| ||
| 387 | T | 25.6 | Very low | 29.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 118.9 | 174.7 | 41.6 | 0 | 0 | 0 | 0 | 109.2 | T385 | T385-T387 VanDerWaalsContact C-N 3.32Å; T385-T387 PolarHBondContact O-N 3.13Å | ||
| 388 | G | 22.6 | Very low | 30.9 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -69.9 | 154.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E386 | E386-G388 PolarHBondContact O-N 2.86Š| ||
| 389 | Q | 24.7 | Very low | 32.2 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | trans | 52.8 | 75 | 151.2 | -59.4 | -177.4 | 2.6 | 0 | 0 | 116.6 | ||||
| 390 | N | 26.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | -149.8 | 131.7 | 140.4 | -98.2 | -30.9 | 0 | 0 | 0 | 109.1 | N392 | N390-N392 PolarHBondContact O-N 2.81Š| ||
| 391 | N | 26.7 | Very low | 35.1 | Very low | 172 Ų | 172 | 128 Ų | 128 | 92% | 0.92 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -68.7 | 33.4 | -168.3 | -82.9 | -20.7 | 0 | 0 | 0 | 115.9 | ||
| 392 | N | 31.8 | Very low | 36.8 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -116 | 103.3 | 174.1 | -73.6 | -19.9 | 0 | 0 | 0 | 109.1 | N390 S394 | N390-N392 PolarHBondContact O-N 2.81Å; N392-S394 PolarHBondContact O-N 3.2Å |
| 393 | Q | 34.6 | Very low | 38.6 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | trans | 13.9 | 96 | 163.9 | -66.5 | 179 | -7.1 | 0 | 0 | 114.9 | R395 | Q393-R395 PolarHBondContact O-N 3.29Š| ||
| 394 | S | 37.3 | Very low | 41.1 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | trans | -66.4 | 75 | -178.9 | -48 | 0 | 0 | 0 | 0 | 112.1 | N392 K396 | N392-S394 PolarHBondContact O-N 3.2Å; S394-K396 PolarHBondContact O-N 3.24Å | ||
| 395 | R | 40.9 | Very low | 43.9 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 57% | 0.574 | 64% | 0.636 | S | S | * | * | trans | -59.8 | 126.5 | 171.8 | -71.7 | -177.8 | 180 | 167.5 | 2.3 | 109.1 | Q393 L397 | Q393-R395 PolarHBondContact O-N 3.29Å; R395-L397 PolarHBondContact O-N 3.4Å | ||
| 396 | K | 54.2 | Low | 47 | Very low | 146 Ų | 146 | 115 Ų | 115 | 64% | 0.635 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 104 | 173.1 | -76.9 | -174.8 | 175.3 | -173.3 | 0 | 109.6 | S394 | S394-K396 PolarHBondContact O-N 3.24Å |
| 397 | L | 48.9 | Very low | 50.4 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.9 | 164.1 | -114.2 | 94.8 | 0 | 0 | 0 | 108.4 | T2 R395 | T2-L397 HydrophobicContact CG2-CD1 3.78Å; T2-L397 HydrophobicContact CG2-CG 3.97Å; R395-L397 PolarHBondContact O-N 3.4Å |
| 398 | I | 57.2 | Low | 53.7 | Low | 30 Ų | 30 | 100.6 Ų | 100.6 | 15% | 0.154 | 53% | 0.534 | C | S | . | . | trans | -92.5 | 123.3 | 162.1 | -57.9 | 163.9 | 0 | 0 | 0 | 105.1 | M1 I3 L9 Y400 | M1-I398 PolarHBondContact N-O 3.33Å; M1-I398 PolarHBondContact O-N 3Å; M1-I398 VanDerWaalsContact O-N 3.08Å; I3-I398 HydrophobicContact CD1-CD1 3.39Å; I3-I398 HydrophobicContact CG1-CD1 3.71Å; L9-I398 HydrophobicContact CD2-CD1 3.68Å; L9-I398 HydrophobicContact CD2-CG1 4.2Å; I398-Y400 PolarHBondContact O-N 3.01Å | ||
| 399 | D | 53.9 | Low | 57.1 | Low | 119 Ų | 119 | 99.2 Ų | 99.2 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | trans | -68.4 | 64.2 | 177.4 | -162.3 | 14.8 | 0 | 0 | 0 | 110.1 | H401 | D399-H401 IonicContact OD1-CD2 3.33Å; D399-H401 PolarHBondContact OD1-CD2 3.18Å; D399-H401 IonicContact OD1-NE2 2.67Å; D399-H401 PolarHBondContact OD1-NE2 3.28Å | ||
| 400 | Y | 55.3 | Low | 60.6 | Low | 35 Ų | 35 | 90.2 Ų | 90.2 | 14% | 0.137 | 47% | 0.47 | C | S | . | . | trans | -125.6 | 98.9 | 179.3 | -177.4 | -103.2 | 0 | 0 | 0 | 106.8 | M1 L14 W366 I398 L402 H431 | M1-Y400 PolarHBondContact N-O 2.68Å; L14-Y400 HydrophobicContact CD2-CD2 3.77Å; L14-Y400 HydrophobicContact CD2-CE2 3.41Å; L14-Y400 VanDerWaalsContact CD2-CE2 3.41Å; W366-Y400 AromaticContact CH2-CD1 3.56Å; W366-Y400 HydrophobicContact CH2-CD1 3.56Å; W366-Y400 AromaticContact CH2-CE1 3.46Å; W366-Y400 HydrophobicContact CH2-CE1 3.46Å; W366-Y400 VanDerWaalsContact CH2-CE1 3.46Å; W366-Y400 AromaticContact CZ3-CD1 3.55Å; W366-Y400 HydrophobicContact CZ3-CD1 3.55Å; W366-Y400 AromaticContact CZ3-CE1 3.6Å; W366-Y400 HydrophobicContact CZ3-CE1 3.6Å; I398-Y400 PolarHBondContact O-N 3.01Å; Y400-L402 HydrophobicContact CE1-CB 4.32Å; Y400-H431 AromaticContact CZ-CE1 3.69Å; Y400-H431 AromaticContact CZ-ND1 3.92Å; Y400-H431 PolarHBondContact OH-CE1 2.93Å | ||
| 401 | H | 57 | Low | 64 | Low | 122 Ų | 122 | 83.3 Ų | 83.3 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | trans | -113.6 | 89.7 | -174.9 | -70.9 | -80.9 | 0 | 0 | 0 | 109.5 | D399 | D399-H401 IonicContact OD1-CD2 3.33Å; D399-H401 PolarHBondContact OD1-CD2 3.18Å; D399-H401 IonicContact OD1-NE2 2.67Å; D399-H401 PolarHBondContact OD1-NE2 3.28Å | ||
| 402 | L | 58.1 | Low | 67.3 | Low | 74 Ų | 74 | 75.8 Ų | 75.8 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | trans | -94 | 143.5 | 164 | -163.7 | 69.4 | 0 | 0 | 0 | 108.6 | W366 Y400 K404 D406 | W366-L402 HydrophobicContact CH2-CB 3.78Å; W366-L402 HydrophobicContact CZ2-CB 3.84Å; W366-L402 WeakPolarHBondContact CZ2-O 3.42Å; Y400-L402 HydrophobicContact CE1-CB 4.32Å; L402-K404 VanDerWaalsContact CB-O 3.32Å; L402-K404 WeakPolarHBondContact CB-O 3.5Å; L402-K404 VanDerWaalsContact CD2-O 3.3Å; L402-K404 WeakPolarHBondContact CD2-O 3.38Å; L402-K404 WeakPolarHBondContact CG-O 3.46Å; L402-K404 PolarHBondContact O-N 2.84Å; L402-D406 HydrophobicContact CD2-CB 4.14Å | ||
| 403 | A | 63.8 | Low | 70.3 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 77% | 0.769 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.9 | -25.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 404 | K | 75.2 | Confident | 73.1 | Confident | 161 Ų | 161 | 63.7 Ų | 63.7 | 70% | 0.7 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -116.2 | 149.9 | 177 | -69 | -176.8 | 178.7 | 179.9 | 0 | 109.8 | W366 L402 D406 | W366-K404 WeakPolarHBondContact CZ2-O 3.49Å; L402-K404 VanDerWaalsContact CB-O 3.32Å; L402-K404 WeakPolarHBondContact CB-O 3.5Å; L402-K404 VanDerWaalsContact CD2-O 3.3Å; L402-K404 WeakPolarHBondContact CD2-O 3.38Å; L402-K404 WeakPolarHBondContact CG-O 3.46Å; L402-K404 PolarHBondContact O-N 2.84Å; K404-D406 PolarHBondContact O-N 3.24Å |
| 405 | P | 81.9 | Confident | 75.8 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | -59.8 | 138 | 170.6 | 26.5 | -32.8 | 0 | 0 | 0 | 110.1 | D348 W366 P407 | D348-P405 VanDerWaalsContact O-CB 3.28Å; D348-P405 WeakPolarHBondContact O-CB 3.37Å; W366-P405 HydrophobicContact CD2-CB 4.28Å; W366-P405 HydrophobicContact CG-CB 4Å; P405-P407 WeakPolarHBondContact O-CD 3.39Å | ||
| 406 | D | 89 | Confident | 78.3 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | trans | -100.7 | 97.7 | 169.5 | 178.3 | 23.8 | 0 | 0 | 0 | 108.1 | L402 K404 S427 Q428 A429 H431 | L402-D406 HydrophobicContact CD2-CB 4.14Å; K404-D406 PolarHBondContact O-N 3.24Å; D406-S427 VanDerWaalsContact CG-CB 3.49Å; D406-S427 WeakPolarHBondContact OD1-CB 3.48Å; D406-S427 PolarHBondContact OD1-OG 2.96Å; D406-S427 WeakPolarHBondContact OD2-CB 3.36Å; D406-S427 PolarHBondContact OD2-OG 3.16Å; D406-Q428 PolarHBondContact OD1-N 3.18Å; D406-A429 WeakPolarHBondContact OD1-CB 3.38Å; D406-A429 PolarHBondContact OD1-N 2.95Å; D406-A429 WeakPolarHBondContact OD2-CB 3.21Å; D406-H431 IonicContact OD2-CE1 2.68Å; D406-H431 PolarHBondContact OD2-CE1 3.04Å; D406-H431 IonicContact OD2-CG 3.06Å; D406-H431 IonicContact OD2-ND1 2.67Å; D406-H431 PolarHBondContact OD2-ND1 2.84Å | ||
| 407 | P | 93.1 | Very high | 80.1 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.065 | 27% | 0.273 | C | S | . | . | trans | -76.3 | 152.7 | -171 | 30.9 | -35.4 | 0 | 0 | 0 | 112.6 | L323 P405 S427 Q428 | L323-P407 HydrophobicContact CD1-CB 3.6Å; L323-P407 HydrophobicContact CD1-CG 4.21Å; P405-P407 WeakPolarHBondContact O-CD 3.39Å; P407-S427 CarbonylContact O-C 3.57Å; P407-S427 WeakPolarHBondContact O-CA 3.28Å; P407-Q428 HydrophobicContact CG-CB 4Å; P407-Q428 PolarHBondContact O-N 3.06Å | ||
| 408 | I | 95.5 | Very high | 82.1 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119.3 | 175.3 | -58.2 | -54.2 | 0 | 0 | 0 | 109.6 | L323 C345 V351 A410 L425 V426 L433 | L323-I408 WeakPolarHBondContact CD1-O 3.29Å; C345-I408 HydrophobicContact CB-CB 4.08Å; C345-I408 HydrophobicContact CB-CG2 4.26Å; C345-I408 WeakPolarHBondContact CB-O 3.49Å; V351-I408 HydrophobicContact CG2-CB 4.16Å; V351-I408 HydrophobicContact CG2-CG1 3.7Å; I408-A410 WeakPolarHBondContact CG2-O 3.1Å; I408-L425 HydrophobicContact CD1-CB 4.15Å; I408-L425 HydrophobicContact CG1-CB 4.45Å; I408-L425 HydrophobicContact CG2-CB 3.96Å; I408-L425 HydrophobicContact CG2-CD2 4.13Å; I408-V426 WeakPolarHBondContact CG2-O 3.44Å; I408-L433 HydrophobicContact CD1-CD1 4.27Å |
| 409 | V | 94.9 | Very high | 83.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -25.2 | -176.2 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | V426 Q428 | V409-V426 WeakPolarHBondContact CG2-O 3.41Å; V409-V426 PolarHBondContact N-O 2.97Å; V409-Q428 HydrophobicContact CG1-CB 3.75Å; V409-Q428 HydrophobicContact CG1-CG 4.18Å |
| 410 | A | 96.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T20 S22 M25 I408 V426 | T20-A410 HydrophobicContact CG2-CB 3.7Å; S22-A410 WeakPolarHBondContact OG-CA 3.45Å; M25-A410 HydrophobicContact SD-CB 3.54Å; M25-A410 VanDerWaalsContact SD-CB 3.54Å; I408-A410 WeakPolarHBondContact CG2-O 3.1Å; A410-V426 HydrophobicContact CB-CB 4.31Å; A410-V426 PolarHBondContact N-O 2.98Å; A410-V426 PolarHBondContact O-N 2.94Å |
| 411 | C | 97 | Very high | 87.2 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 151 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | S22 A326 L423 I424 L425 | S22-C411 PolarHBondContact OG-N 3.26Å; S22-C411 PolarHBondContact OG-O 3.2Å; A326-C411 VanDerWaalsContact CB-SG 3.52Å; C411-L423 HydrophobicContact CB-CD1 4.41Å; C411-I424 VanDerWaalsContact CA-O 3.26Å; C411-I424 WeakPolarHBondContact CA-O 3.28Å; C411-L425 HydrophobicContact CB-CD2 3.46Å; C411-L425 VanDerWaalsContact CB-CD2 3.46Å |
| 412 | C | 95.9 | Very high | 89 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 10% | 0.095 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.9 | 168.2 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | M25 I424 | M25-C412 HydrophobicContact CB-CB 4.37Å; C412-I424 PolarHBondContact N-O 3.22Å; C412-I424 PolarHBondContact O-N 3.05Å |
| 413 | F | 95.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.3 | -179.5 | -178.2 | -89 | 0 | 0 | 0 | 111.1 | W7 M328 F330 I343 N421 T422 L423 V437 | W7-F413 HydrophobicContact CH2-CD2 4.46Å; W7-F413 AromaticContact CH2-CE2 4Å; W7-F413 HydrophobicContact CH2-CE2 4Å; W7-F413 HydrophobicContact CZ3-CE2 4.36Å; M328-F413 HydrophobicContact CB-CD1 4.14Å; M328-F413 HydrophobicContact CB-CE1 4.48Å; M328-F413 HydrophobicContact CB-CG 4.22Å; M328-F413 HydrophobicContact CE-CE2 3.81Å; M328-F413 HydrophobicContact CE-CZ 3.84Å; M328-F413 HydrophobicContact CG-CD1 3.76Å; M328-F413 HydrophobicContact CG-CD2 3.98Å; M328-F413 HydrophobicContact CG-CE1 3.67Å; M328-F413 HydrophobicContact CG-CE2 3.9Å; M328-F413 HydrophobicContact CG-CG 3.91Å; M328-F413 HydrophobicContact CG-CZ 3.73Å; M328-F413 HydrophobicContact SD-CE2 4.28Å; M328-F413 HydrophobicContact SD-CZ 4.49Å; F330-F413 HydrophobicContact CD2-CZ 4.43Å; I343-F413 HydrophobicContact CD1-CB 4.08Å; I343-F413 HydrophobicContact CD1-CD2 4.27Å; I343-F413 HydrophobicContact CD1-CG 4.42Å; F413-N421 HydrophobicContact CE2-CB 4.45Å; F413-N421 HydrophobicContact CZ-CB 3.81Å; F413-T422 WeakPolarHBondContact CA-O 3.43Å; F413-T422 WeakPolarHBondContact CD2-O 3.33Å; F413-L423 HydrophobicContact CB-CD1 4.35Å; F413-L423 HydrophobicContact CD2-CB 3.95Å; F413-L423 HydrophobicContact CD2-CD1 4.43Å; F413-V437 HydrophobicContact CE2-CG2 4.04Å; F413-V437 HydrophobicContact CZ-CG2 4.35Å |
| 414 | G | 93.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -158.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y416 I420 T422 | G414-Y416 PolarHBondContact O-N 3.06Å; G414-I420 CarbonylContact C-O 3.56Å; G414-T422 PolarHBondContact N-O 3.42Å; G414-T422 PolarHBondContact O-N 2.95Å |
| 415 | K | 93.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 34% | 0.339 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 122.7 | 177 | -178.6 | -175.3 | 176.6 | -162.2 | 0 | 109.5 | S34 N36 E419 I420 | S34-K415 PolarHBondContact O-NZ 3.21Å; N36-K415 HydrophobicContact CB-CG 4.46Å; N36-K415 WeakPolarHBondContact CB-O 3.2Å; N36-K415 WeakPolarHBondContact ND2-CB 3.45Å; N36-K415 PolarHBondContact ND2-O 3.49Å; K415-E419 CarbonylContact C-O 3.56Å; K415-E419 VanDerWaalsContact CA-O 3.25Å; K415-E419 WeakPolarHBondContact CA-O 3.49Å; K415-I420 WeakPolarHBondContact CA-O 2.91Å; K415-I420 PolarHBondContact N-O 3.44Å; K415-I420 VanDerWaalsContact N-O 3.13Å |
| 416 | Y | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.5 | 175.4 | 177 | -116.2 | 0 | 0 | 0 | 109.4 | L27 N36 L38 F64 K65 G66 G414 R418 E419 T422 I424 I434 | L27-Y416 HydrophobicContact CD2-CD2 3.92Å; L27-Y416 HydrophobicContact CD2-CG 4.4Å; N36-Y416 WeakPolarHBondContact O-CD2 3.2Å; L38-Y416 HydrophobicContact CB-CD2 3.86Å; L38-Y416 HydrophobicContact CB-CE2 3.37Å; L38-Y416 VanDerWaalsContact N-CE2 3.35Å; F64-Y416 WeakPolarHBondContact CB-OH 3.14Å; K65-Y416 WeakPolarHBondContact CA-OH 3.38Å; K65-Y416 PolarHBondContact N-OH 2.75Å; G66-Y416 PolarHBondContact N-OH 2.94Å; G66-Y416 WeakPolarHBondContact O-CE1 3.38Å; G66-Y416 VanDerWaalsContact O-CZ 3.29Å; G66-Y416 PolarHBondContact O-OH 3.03Å; G414-Y416 PolarHBondContact O-N 3.06Å; Y416-R418 PolarHBondContact O-N 3.35Å; Y416-R418 VanDerWaalsContact O-N 3.13Å; Y416-E419 PolarHBondContact N-O 2.89Å; Y416-E419 PolarHBondContact O-N 2.99Å; Y416-T422 HydrophobicContact CD1-CG2 4.1Å; Y416-I424 HydrophobicContact CD1-CD1 4.07Å; Y416-I424 HydrophobicContact CD2-CD1 4.09Å; Y416-I424 HydrophobicContact CE1-CD1 4.47Å; Y416-I424 HydrophobicContact CG-CD1 3.83Å; Y416-I434 HydrophobicContact CD1-CG2 4.33Å; Y416-I434 HydrophobicContact CE1-CD1 3.98Å; Y416-I434 HydrophobicContact CE1-CG2 4.34Å |
| 417 | D | 91 | Very high | 94.5 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | 51.3 | -114 | -167.1 | -167.4 | 21.3 | 0 | 0 | 0 | 110.7 | T35 N36 | T35-D417 VanDerWaalsContact CA-O 3.29Å; T35-D417 WeakPolarHBondContact CA-O 3.19Å; T35-D417 WeakPolarHBondContact CB-O 3.26Å; T35-D417 WeakPolarHBondContact CB-OD1 3.35Å; T35-D417 WeakPolarHBondContact CG2-OD1 3.21Å; N36-D417 PolarHBondContact N-O 3.37Å; N36-D417 WeakPolarHBondContact O-CA 3.44Å; N36-D417 PolarHBondContact O-N 3.35Å |
| 418 | R | 90.5 | Very high | 94.5 | Very high | 202 Ų | 202 | 39.3 Ų | 39.3 | 76% | 0.762 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -12.1 | 175.1 | -64.7 | -179.4 | 177.8 | 178.2 | -1.1 | 113.6 | T35 Y416 | T35-R418 HydrophobicContact CG2-CG 3.8Å; Y416-R418 PolarHBondContact O-N 3.35Å; Y416-R418 VanDerWaalsContact O-N 3.13Å |
| 419 | E | 91.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.5 | -172.2 | -66.6 | -64.1 | 161.8 | 0 | 0 | 110.8 | K415 Y416 T422 I436 | K415-E419 CarbonylContact C-O 3.56Å; K415-E419 VanDerWaalsContact CA-O 3.25Å; K415-E419 WeakPolarHBondContact CA-O 3.49Å; Y416-E419 PolarHBondContact N-O 2.89Å; Y416-E419 PolarHBondContact O-N 2.99Å; E419-T422 WeakPolarHBondContact CB-OG1 3.49Å; E419-T422 PolarHBondContact O-OG1 2.83Å; E419-I436 HydrophobicContact CB-CG2 4.38Å; E419-I436 HydrophobicContact CG-CD1 3.9Å; E419-I436 HydrophobicContact CG-CG1 4.33Å; E419-I436 HydrophobicContact CG-CG2 4.3Å |
| 420 | I | 89 | Confident | 94 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 61% | 0.605 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -35.5 | -171.7 | -56.5 | 171.7 | 0 | 0 | 0 | 111.7 | G414 K415 | G414-I420 CarbonylContact C-O 3.56Å; K415-I420 WeakPolarHBondContact CA-O 2.91Å; K415-I420 PolarHBondContact N-O 3.44Å; K415-I420 VanDerWaalsContact N-O 3.13Å |
| 421 | N | 93 | Very high | 93.8 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 76.6 | -170.3 | -67.7 | -35.8 | 0 | 0 | 0 | 110.1 | F330 F413 V437 | F330-N421 HydrophobicContact CD2-CB 4.23Å; F330-N421 WeakPolarHBondContact CD2-ND2 3.47Å; F330-N421 HydrophobicContact CE2-CB 4.3Å; F330-N421 VanDerWaalsContact CE2-ND2 3.31Å; F330-N421 WeakPolarHBondContact CE2-ND2 3.2Å; F413-N421 HydrophobicContact CE2-CB 4.45Å; F413-N421 HydrophobicContact CZ-CB 3.81Å; N421-V437 HydrophobicContact CB-CB 3.9Å; N421-V437 HydrophobicContact CB-CG2 3.92Å; N421-V437 PolarHBondContact O-N 2.84Å |
| 422 | T | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.7 | -179.5 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | F413 G414 Y416 E419 I424 I434 L435 I436 | F413-T422 WeakPolarHBondContact CA-O 3.43Å; F413-T422 WeakPolarHBondContact CD2-O 3.33Å; G414-T422 PolarHBondContact N-O 3.42Å; G414-T422 PolarHBondContact O-N 2.95Å; Y416-T422 HydrophobicContact CD1-CG2 4.1Å; E419-T422 WeakPolarHBondContact CB-OG1 3.49Å; E419-T422 PolarHBondContact O-OG1 2.83Å; T422-I424 HydrophobicContact CG2-CD1 4.49Å; T422-I424 HydrophobicContact CG2-CG1 4.24Å; T422-I434 HydrophobicContact CG2-CG2 3.61Å; T422-L435 CarbonylContact C-O 3.52Å; T422-L435 WeakPolarHBondContact CA-O 3.46Å; T422-I436 HydrophobicContact CG2-CG1 4.32Å |
| 423 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124 | 171.4 | 178.4 | 54 | 0 | 0 | 0 | 109.3 | W7 I343 C411 F413 L425 L435 | W7-L423 HydrophobicContact CE3-CB 4.39Å; W7-L423 HydrophobicContact CH2-CB 3.91Å; W7-L423 HydrophobicContact CH2-CD2 3.95Å; W7-L423 HydrophobicContact CZ3-CB 3.47Å; W7-L423 VanDerWaalsContact CZ3-CB 3.47Å; W7-L423 HydrophobicContact CZ3-CD2 4.06Å; W7-L423 HydrophobicContact CZ3-CG 4.44Å; I343-L423 HydrophobicContact CD1-CD1 3.43Å; I343-L423 VanDerWaalsContact CD1-CD1 3.43Å; I343-L423 HydrophobicContact CD1-CD2 3.99Å; I343-L423 HydrophobicContact CD1-CG 4.27Å; C411-L423 HydrophobicContact CB-CD1 4.41Å; F413-L423 HydrophobicContact CB-CD1 4.35Å; F413-L423 HydrophobicContact CD2-CB 3.95Å; F413-L423 HydrophobicContact CD2-CD1 4.43Å; L423-L425 HydrophobicContact CD1-CD2 3.59Å; L423-L425 HydrophobicContact CD1-CG 4.4Å; L423-L425 HydrophobicContact CD2-CD1 4.37Å; L423-L425 HydrophobicContact CD2-CD2 3.95Å; L423-L425 HydrophobicContact CD2-CG 4.36Å; L423-L425 HydrophobicContact CG-CD1 4.46Å; L423-L425 HydrophobicContact CG-CD2 3.62Å; L423-L425 HydrophobicContact CG-CG 3.97Å; L423-L435 HydrophobicContact CB-CB 4.3Å; L423-L435 HydrophobicContact CD2-CD1 4.45Å; L423-L435 PolarHBondContact N-O 3.07Å; L423-L435 PolarHBondContact O-N 2.96Å |
| 424 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.1 | 174.1 | -66.2 | 150 | 0 | 0 | 0 | 108.4 | M25 L27 L38 C411 C412 Y416 T422 M432 L433 I434 | M25-I424 HydrophobicContact CE-CG2 3.75Å; L27-I424 HydrophobicContact CD2-CD1 3.61Å; L38-I424 HydrophobicContact CB-CD1 4.25Å; L38-I424 HydrophobicContact CD1-CD1 4.11Å; L38-I424 HydrophobicContact CD1-CG2 4.42Å; L38-I424 HydrophobicContact CD2-CD1 4.06Å; L38-I424 HydrophobicContact CD2-CG2 3.77Å; L38-I424 HydrophobicContact CG-CD1 4.34Å; C411-I424 VanDerWaalsContact CA-O 3.26Å; C411-I424 WeakPolarHBondContact CA-O 3.28Å; C412-I424 PolarHBondContact N-O 3.22Å; C412-I424 PolarHBondContact O-N 3.05Å; Y416-I424 HydrophobicContact CD1-CD1 4.07Å; Y416-I424 HydrophobicContact CD2-CD1 4.09Å; Y416-I424 HydrophobicContact CE1-CD1 4.47Å; Y416-I424 HydrophobicContact CG-CD1 3.83Å; T422-I424 HydrophobicContact CG2-CD1 4.49Å; T422-I424 HydrophobicContact CG2-CG1 4.24Å; I424-M432 HydrophobicContact CG2-CG 4.41Å; I424-L433 WeakPolarHBondContact CA-O 3.34Å; I424-I434 HydrophobicContact CG1-CG1 4.31Å; I424-I434 HydrophobicContact CG1-CG2 4.3Å |
| 425 | L | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.9 | -175.8 | -51.7 | 174.4 | 0 | 0 | 0 | 109.8 | V351 I364 I408 C411 L423 M432 L433 L435 | V351-L425 HydrophobicContact CG2-CD1 4.27Å; I364-L425 HydrophobicContact CD1-CD1 3.22Å; I408-L425 HydrophobicContact CD1-CB 4.15Å; I408-L425 HydrophobicContact CG1-CB 4.45Å; I408-L425 HydrophobicContact CG2-CB 3.96Å; I408-L425 HydrophobicContact CG2-CD2 4.13Å; C411-L425 HydrophobicContact CB-CD2 3.46Å; C411-L425 VanDerWaalsContact CB-CD2 3.46Å; L423-L425 HydrophobicContact CD1-CD2 3.59Å; L423-L425 HydrophobicContact CD1-CG 4.4Å; L423-L425 HydrophobicContact CD2-CD1 4.37Å; L423-L425 HydrophobicContact CD2-CD2 3.95Å; L423-L425 HydrophobicContact CD2-CG 4.36Å; L423-L425 HydrophobicContact CG-CD1 4.46Å; L423-L425 HydrophobicContact CG-CD2 3.62Å; L423-L425 HydrophobicContact CG-CG 3.97Å; L425-M432 WeakPolarHBondContact O-CA 3.28Å; L425-L433 HydrophobicContact CB-CB 4.27Å; L425-L433 PolarHBondContact N-O 3.22Å; L425-L433 PolarHBondContact O-N 2.85Å; L425-L435 HydrophobicContact CD1-CD1 3.99Å |
| 426 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | L18 T20 M25 I408 V409 A410 H431 | L18-V426 HydrophobicContact CB-CG1 4.26Å; L18-V426 HydrophobicContact CD2-CG1 4.33Å; L18-V426 HydrophobicContact CD2-CG2 3.82Å; L18-V426 HydrophobicContact CG-CG1 4.24Å; L18-V426 VanDerWaalsContact O-CG1 3.29Å; L18-V426 WeakPolarHBondContact O-CG1 3.27Å; T20-V426 HydrophobicContact CG2-CB 4.17Å; T20-V426 HydrophobicContact CG2-CG1 4.23Å; T20-V426 HydrophobicContact CG2-CG2 4Å; M25-V426 HydrophobicContact CE-CG2 3.71Å; M25-V426 HydrophobicContact SD-CG2 3.92Å; I408-V426 WeakPolarHBondContact CG2-O 3.44Å; V409-V426 WeakPolarHBondContact CG2-O 3.41Å; V409-V426 PolarHBondContact N-O 2.97Å; A410-V426 HydrophobicContact CB-CB 4.31Å; A410-V426 PolarHBondContact N-O 2.98Å; A410-V426 PolarHBondContact O-N 2.94Å; V426-H431 WeakPolarHBondContact CA-O 3.39Å |
| 427 | S | 94.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 164.7 | -179.8 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | D406 P407 A429 G430 H431 | D406-S427 VanDerWaalsContact CG-CB 3.49Å; D406-S427 WeakPolarHBondContact OD1-CB 3.48Å; D406-S427 PolarHBondContact OD1-OG 2.96Å; D406-S427 WeakPolarHBondContact OD2-CB 3.36Å; D406-S427 PolarHBondContact OD2-OG 3.16Å; P407-S427 CarbonylContact O-C 3.57Å; P407-S427 WeakPolarHBondContact O-CA 3.28Å; S427-A429 VanDerWaalsContact C-N 3.3Å; S427-A429 PolarHBondContact O-N 2.8Å; S427-G430 WeakPolarHBondContact O-CA 3.47Å; S427-G430 PolarHBondContact O-N 2.87Å; S427-G430 PolarHBondContact OG-N 2.89Å; S427-H431 PolarHBondContact N-O 3.21Å; S427-H431 WeakPolarHBondContact OG-CB 3.47Å; S427-H431 PolarHBondContact OG-N 2.97Å; S427-H431 PolarHBondContact OG-ND1 2.99Å |
| 428 | Q | 92.6 | Very high | 93.8 | Very high | 134 Ų | 134 | 36.6 Ų | 36.6 | 63% | 0.626 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -34.9 | 177.2 | -170.5 | 177 | 3.6 | 0 | 0 | 112.1 | D406 P407 V409 G430 | D406-Q428 PolarHBondContact OD1-N 3.18Å; P407-Q428 HydrophobicContact CG-CB 4Å; P407-Q428 PolarHBondContact O-N 3.06Å; V409-Q428 HydrophobicContact CG1-CB 3.75Å; V409-Q428 HydrophobicContact CG1-CG 4.18Å; Q428-G430 PolarHBondContact O-N 3.03Å |
| 429 | A | 89.7 | Confident | 93.5 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -6.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D406 S427 | D406-A429 WeakPolarHBondContact OD1-CB 3.38Å; D406-A429 PolarHBondContact OD1-N 2.95Å; D406-A429 WeakPolarHBondContact OD2-CB 3.21Å; S427-A429 VanDerWaalsContact C-N 3.3Å; S427-A429 PolarHBondContact O-N 2.8Å |
| 430 | G | 90.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | 91.2 | 22.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N17 L18 S427 Q428 | N17-G430 WeakPolarHBondContact CA-O 3.49Å; N17-G430 PolarHBondContact N-O 3.22Å; N17-G430 VanDerWaalsContact N-O 3.16Å; L18-G430 PolarHBondContact N-O 2.86Å; L18-G430 WeakPolarHBondContact O-CA 3.36Å; S427-G430 WeakPolarHBondContact O-CA 3.47Å; S427-G430 PolarHBondContact O-N 2.87Å; S427-G430 PolarHBondContact OG-N 2.89Å; Q428-G430 PolarHBondContact O-N 3.03Å | ||
| 431 | H | 92.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | trans | -80.2 | 150.1 | 172.8 | -49.6 | 139.5 | 0 | 0 | 0 | 110.7 | D13 L14 Y400 D406 V426 S427 | D13-H431 WeakPolarHBondContact O-CA 3.32Å; L14-H431 PolarHBondContact O-CD2 2.68Å; Y400-H431 AromaticContact CZ-CE1 3.69Å; Y400-H431 AromaticContact CZ-ND1 3.92Å; Y400-H431 PolarHBondContact OH-CE1 2.93Å; D406-H431 IonicContact OD2-CE1 2.68Å; D406-H431 PolarHBondContact OD2-CE1 3.04Å; D406-H431 IonicContact OD2-CG 3.06Å; D406-H431 IonicContact OD2-ND1 2.67Å; D406-H431 PolarHBondContact OD2-ND1 2.84Å; V426-H431 WeakPolarHBondContact CA-O 3.39Å; S427-H431 PolarHBondContact N-O 3.21Å; S427-H431 WeakPolarHBondContact OG-CB 3.47Å; S427-H431 PolarHBondContact OG-N 2.97Å; S427-H431 PolarHBondContact OG-ND1 2.99Å | ||
| 432 | M | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.6 | 174.9 | -172.7 | -175.8 | 69.3 | 0 | 0 | 110.3 | K11 D13 V16 L38 F64 I424 L425 I434 | K11-M432 HydrophobicContact CD-CE 4.27Å; D13-M432 PolarHBondContact N-O 2.93Å; D13-M432 PolarHBondContact O-N 3.11Å; V16-M432 HydrophobicContact CG2-CB 4.08Å; V16-M432 HydrophobicContact CG2-CE 4.39Å; L38-M432 HydrophobicContact CD2-SD 4.11Å; F64-M432 HydrophobicContact CD1-CE 4.22Å; F64-M432 HydrophobicContact CD1-SD 4.48Å; F64-M432 HydrophobicContact CE1-CE 4.28Å; F64-M432 HydrophobicContact CE1-SD 4.4Å; F64-M432 HydrophobicContact CZ-SD 4.49Å; I424-M432 HydrophobicContact CG2-CG 4.41Å; L425-M432 WeakPolarHBondContact O-CA 3.28Å; M432-I434 HydrophobicContact CE-CD1 3.98Å; M432-I434 HydrophobicContact CE-CG1 4.28Å |
| 433 | L | 95 | Very high | 91.8 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137 | 172.8 | -61.6 | 98.4 | 0 | 0 | 0 | 110.8 | M1 L9 K11 I408 I424 L425 | M1-L433 HydrophobicContact CE-CD2 3.7Å; M1-L433 HydrophobicContact SD-CD2 4.32Å; L9-L433 HydrophobicContact CD1-CD2 4.28Å; K11-L433 WeakPolarHBondContact O-CA 3.3Å; I408-L433 HydrophobicContact CD1-CD1 4.27Å; I424-L433 WeakPolarHBondContact CA-O 3.34Å; L425-L433 HydrophobicContact CB-CB 4.27Å; L425-L433 PolarHBondContact N-O 3.22Å; L425-L433 PolarHBondContact O-N 2.85Å |
| 434 | I | 95.9 | Very high | 91 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.8 | 173.8 | -52.2 | -178.4 | 0 | 0 | 0 | 107.3 | A10 K11 Y416 T422 I424 M432 | A10-I434 HydrophobicContact CB-CB 4.28Å; A10-I434 HydrophobicContact CB-CG2 4.07Å; A10-I434 WeakPolarHBondContact CB-O 3.36Å; A10-I434 PolarHBondContact N-O 3.32Å; K11-I434 HydrophobicContact CB-CB 4.16Å; K11-I434 HydrophobicContact CB-CD1 4.08Å; K11-I434 HydrophobicContact CB-CG1 4.15Å; K11-I434 HydrophobicContact CD-CD1 4.38Å; K11-I434 PolarHBondContact N-O 2.94Å; K11-I434 PolarHBondContact O-N 2.88Å; Y416-I434 HydrophobicContact CD1-CG2 4.33Å; Y416-I434 HydrophobicContact CE1-CD1 3.98Å; Y416-I434 HydrophobicContact CE1-CG2 4.34Å; T422-I434 HydrophobicContact CG2-CG2 3.61Å; I424-I434 HydrophobicContact CG1-CG1 4.31Å; I424-I434 HydrophobicContact CG1-CG2 4.3Å; M432-I434 HydrophobicContact CE-CD1 3.98Å; M432-I434 HydrophobicContact CE-CG1 4.28Å |
| 435 | L | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.6 | -179.2 | -52.3 | -179.9 | 0 | 0 | 0 | 109.8 | I3 W7 L8 L9 C363 I364 T422 L423 L425 | I3-L435 HydrophobicContact CD1-CD2 3.62Å; W7-L435 HydrophobicContact CD2-CB 4.34Å; W7-L435 HydrophobicContact CE3-CB 3.54Å; W7-L435 HydrophobicContact CZ3-CB 4.14Å; L8-L435 CarbonylContact O-C 3.57Å; L8-L435 WeakPolarHBondContact O-CA 3.46Å; L9-L435 HydrophobicContact CB-CD2 4.16Å; L9-L435 HydrophobicContact CD1-CD2 3.43Å; L9-L435 VanDerWaalsContact CD1-CD2 3.43Å; L9-L435 HydrophobicContact CG-CD2 4.42Å; C363-L435 VanDerWaalsContact SG-CD1 3.58Å; I364-L435 HydrophobicContact CD1-CD1 4.15Å; I364-L435 HydrophobicContact CG1-CD1 4.44Å; T422-L435 CarbonylContact C-O 3.52Å; T422-L435 WeakPolarHBondContact CA-O 3.46Å; L423-L435 HydrophobicContact CB-CB 4.3Å; L423-L435 HydrophobicContact CD2-CD1 4.45Å; L423-L435 PolarHBondContact N-O 3.07Å; L423-L435 PolarHBondContact O-N 2.96Å; L425-L435 HydrophobicContact CD1-CD1 3.99Å |
| 436 | I | 95 | Very high | 89.2 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.4 | 176.9 | -59.7 | 163.6 | 0 | 0 | 0 | 108.2 | L8 A10 E419 T422 K438 | L8-I436 HydrophobicContact CB-CB 4.33Å; L8-I436 PolarHBondContact N-O 2.76Å; L8-I436 PolarHBondContact O-N 2.84Å; A10-I436 HydrophobicContact CB-CD1 3.66Å; A10-I436 HydrophobicContact CB-CG1 4.09Å; E419-I436 HydrophobicContact CB-CG2 4.38Å; E419-I436 HydrophobicContact CG-CD1 3.9Å; E419-I436 HydrophobicContact CG-CG1 4.33Å; E419-I436 HydrophobicContact CG-CG2 4.3Å; T422-I436 HydrophobicContact CG2-CG1 4.32Å; I436-K438 PolarHBondContact O-N 2.86Å |
| 437 | V | 93.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 128.5 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | W7 M328 F330 F413 N421 A441 F443 | W7-V437 HydrophobicContact CD2-CG2 4.5Å; W7-V437 HydrophobicContact CE3-CG2 3.91Å; W7-V437 HydrophobicContact CH2-CG2 3.35Å; W7-V437 HydrophobicContact CZ2-CG2 3.89Å; W7-V437 HydrophobicContact CZ3-CB 4.47Å; W7-V437 HydrophobicContact CZ3-CG2 3.34Å; M328-V437 HydrophobicContact CE-CG2 4.13Å; F330-V437 HydrophobicContact CE2-CB 4.25Å; F330-V437 HydrophobicContact CE2-CG1 3.62Å; F330-V437 HydrophobicContact CE2-CG2 4.41Å; F330-V437 HydrophobicContact CZ-CG1 3.96Å; F413-V437 HydrophobicContact CE2-CG2 4.04Å; F413-V437 HydrophobicContact CZ-CG2 4.35Å; N421-V437 HydrophobicContact CB-CB 3.9Å; N421-V437 HydrophobicContact CB-CG2 3.92Å; N421-V437 PolarHBondContact O-N 2.84Å; V437-A441 HydrophobicContact CG1-CB 3.67Å; V437-F443 HydrophobicContact CG1-CE2 3.76Å; V437-F443 HydrophobicContact CG1-CZ 3.97Å; V437-F443 HydrophobicContact CG2-CE2 4.29Å; V437-F443 HydrophobicContact CG2-CZ 4.33Å |
| 438 | K | 91.6 | Very high | 86.1 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -63.2 | 143.6 | 173.8 | -71.8 | -175.8 | -168.1 | 167.8 | 0 | 110.4 | D5 S6 W7 L8 I436 T440 A441 | D5-K438 WeakPolarHBondContact O-CD 3.21Å; D5-K438 WeakPolarHBondContact O-CE 3.24Å; D5-K438 PolarHBondContact O-NZ 3.41Å; S6-K438 WeakPolarHBondContact O-CB 3.33Å; S6-K438 PolarHBondContact O-N 3.19Å; W7-K438 VanDerWaalsContact O-CE 3.3Å; W7-K438 WeakPolarHBondContact O-CE 3.33Å; L8-K438 HydrophobicContact CD1-CG 3.84Å; L8-K438 HydrophobicContact CD2-CD 4.43Å; L8-K438 HydrophobicContact CD2-CG 4.22Å; L8-K438 HydrophobicContact CG-CD 4.27Å; L8-K438 HydrophobicContact CG-CG 3.57Å; I436-K438 PolarHBondContact O-N 2.86Å; K438-T440 PolarHBondContact O-N 2.89Å; K438-T440 VanDerWaalsContact O-N 3.11Å; K438-A441 HydrophobicContact CB-CB 4.27Å; K438-A441 WeakPolarHBondContact O-CB 3.16Å; K438-A441 PolarHBondContact O-N 3.39Å | ||
| 439 | R | 84.5 | Confident | 84.6 | Confident | 254 Ų | 254 | 53.7 Ų | 53.7 | 96% | 0.958 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26 | 174.9 | -64.9 | 178.3 | 65.4 | 125 | 0.1 | 113.6 | ||
| 440 | T | 83.4 | Confident | 82.8 | Confident | 126 Ų | 126 | 57 Ų | 57 | 77% | 0.773 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.9 | 178.1 | 54 | 0 | 0 | 0 | 0 | 113.3 | K438 | K438-T440 PolarHBondContact O-N 2.89Å; K438-T440 VanDerWaalsContact O-N 3.11Å |
| 441 | A | 84.5 | Confident | 80.7 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | trans | -68.4 | 136.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V437 K438 F443 | V437-A441 HydrophobicContact CG1-CB 3.67Å; K438-A441 HydrophobicContact CB-CB 4.27Å; K438-A441 WeakPolarHBondContact O-CB 3.16Å; K438-A441 PolarHBondContact O-N 3.39Å; A441-F443 HydrophobicContact CB-CE2 4.48Å; A441-F443 HydrophobicContact CB-CZ 4.32Å | ||
| 442 | N | 80.5 | Confident | 78.5 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | trans | -134 | 111.8 | 175 | -164.2 | 6.1 | 0 | 0 | 0 | 109.1 | N334 I444 | N334-N442 PolarHBondContact ND2-ND2 2.92Å; N442-I444 HydrophobicContact CB-CG1 4.49Å; N442-I444 PolarHBondContact O-N 3Å; N442-I444 VanDerWaalsContact O-N 3.14Å | ||
| 443 | F | 85 | Confident | 76.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | trans | -87 | 80.8 | -177.4 | -62.3 | -63.6 | 0 | 0 | 0 | 110 | W7 M328 F330 Y341 I353 C360 D361 V437 A441 | W7-F443 AromaticContact CE2-CZ 3.91Å; W7-F443 HydrophobicContact CZ2-CE1 4.18Å; W7-F443 AromaticContact CZ2-CZ 3.63Å; W7-F443 HydrophobicContact CZ2-CZ 3.63Å; W7-F443 AromaticContact NE1-CE1 3.86Å; W7-F443 AromaticContact NE1-CZ 3.96Å; M328-F443 HydrophobicContact CE-CD2 3.97Å; M328-F443 HydrophobicContact CE-CE2 3.44Å; M328-F443 VanDerWaalsContact CE-CE2 3.44Å; M328-F443 HydrophobicContact CE-CZ 3.94Å; F330-F443 AromaticContact CD1-CD2 3.71Å; F330-F443 HydrophobicContact CD1-CD2 3.71Å; F330-F443 HydrophobicContact CD1-CE2 4.18Å; F330-F443 HydrophobicContact CD2-CE2 4.43Å; F330-F443 AromaticContact CE1-CD2 3.56Å; F330-F443 HydrophobicContact CE1-CD2 3.56Å; F330-F443 AromaticContact CE1-CE2 3.93Å; F330-F443 HydrophobicContact CE1-CE2 3.93Å; F330-F443 HydrophobicContact CE2-CE2 4.22Å; F330-F443 HydrophobicContact CG-CD2 4.3Å; F330-F443 HydrophobicContact CG-CE2 4.41Å; F330-F443 HydrophobicContact CZ-CD2 4.06Å; F330-F443 AromaticContact CZ-CE2 3.96Å; F330-F443 HydrophobicContact CZ-CE2 3.96Å; Y341-F443 HydrophobicContact CD1-CB 4.26Å; Y341-F443 HydrophobicContact CE1-CB 3.71Å; Y341-F443 WeakPolarHBondContact CE1-O 3.33Å; Y341-F443 PolarHBondContact OH-O 2.83Å; I353-F443 HydrophobicContact CD1-CE1 4.06Å; I353-F443 HydrophobicContact CD1-CZ 4.38Å; C360-F443 HydrophobicContact CB-CB 4.14Å; D361-F443 HydrophobicContact CB-CD1 3.76Å; D361-F443 HydrophobicContact CB-CE1 3.9Å; V437-F443 HydrophobicContact CG1-CE2 3.76Å; V437-F443 HydrophobicContact CG1-CZ 3.97Å; V437-F443 HydrophobicContact CG2-CE2 4.29Å; V437-F443 HydrophobicContact CG2-CZ 4.33Å; A441-F443 HydrophobicContact CB-CE2 4.48Å; A441-F443 HydrophobicContact CB-CZ 4.32Å | ||
| 444 | I | 81.5 | Confident | 74.1 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | trans | -88.4 | 135.7 | 177 | -55.1 | 172.3 | 0 | 0 | 0 | 108.2 | N442 M446 | N442-I444 HydrophobicContact CB-CG1 4.49Å; N442-I444 PolarHBondContact O-N 3Å; N442-I444 VanDerWaalsContact O-N 3.14Å; I444-M446 PolarHBondContact O-N 3.06Å | ||
| 445 | P | 80.7 | Confident | 71.8 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | trans | -46.3 | 110.4 | 167.1 | -32.4 | 39.4 | 0 | 0 | 0 | 111.7 | H358 | H358-P445 HydrophobicContact CB-CB 3.72Å; H358-P445 HydrophobicContact CB-CG 4.28Å | ||
| 446 | M | 74.9 | Confident | 69.4 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | trans | -84.8 | -41.7 | -179.7 | -74.6 | -167.5 | -92.8 | 0 | 0 | 111.8 | L359 C360 D361 I444 | L359-M446 PolarHBondContact O-N 3.35Å; C360-M446 WeakPolarHBondContact O-CE 3.25Å; D361-M446 VanDerWaalsContact CA-CE 3.48Å; I444-M446 PolarHBondContact O-N 3.06Å | ||
| 447 | D | 65.7 | Low | 67 | Low | 104 Ų | 104 | 91.2 Ų | 91.2 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.1 | -172.8 | -158.2 | 0.2 | 0 | 0 | 0 | 111.3 | H358 L359 | H358-D447 WeakPolarHBondContact CA-O 3.46Å; L359-D447 PolarHBondContact N-O 3.46Å; L359-D447 VanDerWaalsContact N-O 3.12Å |
| 448 | V | 62.8 | Low | 65 | Low | 65 Ų | 65 | 97 Ų | 97 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.1 | 166.9 | -165 | 0 | 0 | 0 | 0 | 106.2 | Q357 H358 S450 | Q357-V448 HydrophobicContact CG-CG1 4.4Å; H358-V448 VanDerWaalsContact CE1-CG2 3.41Å; H358-V448 WeakPolarHBondContact CE1-CG2 3.04Å; H358-V448 WeakPolarHBondContact ND1-CG2 3.12Å; V448-S450 PolarHBondContact O-N 2.75Å |
| 449 | I | 59 | Low | 63.1 | Low | 41 Ų | 41 | 101.2 Ų | 101.2 | 21% | 0.21 | 54% | 0.537 | C | S | . | . | trans | -64.1 | 113.9 | 169 | -57.1 | -179.1 | 0 | 0 | 0 | 106 | V316 Y354 S451 | V316-I449 HydrophobicContact CG1-CB 3.63Å; V316-I449 HydrophobicContact CG1-CD1 3.68Å; V316-I449 HydrophobicContact CG1-CG1 4.22Å; V316-I449 HydrophobicContact CG1-CG2 3.56Å; V316-I449 HydrophobicContact CG2-CB 4.33Å; Y354-I449 HydrophobicContact CE1-CD1 3.41Å; Y354-I449 VanDerWaalsContact CE1-CD1 3.41Å; Y354-I449 HydrophobicContact CE1-CG1 4.38Å; Y354-I449 VanDerWaalsContact OH-CD1 3.32Å; Y354-I449 WeakPolarHBondContact OH-CD1 3.43Å; I449-S451 PolarHBondContact O-N 3.05Å | ||
| 450 | S | 52.5 | Low | 61.7 | Low | 119 Ų | 119 | 96 Ų | 96 | 83% | 0.832 | 53% | 0.528 | S | S | * | . | trans | -39.6 | 98.2 | -174.9 | -83 | 0 | 0 | 0 | 0 | 110.8 | V448 | V448-S450 PolarHBondContact O-N 2.75Š| ||
| 451 | S | 46.6 | Very low | 60.6 | Low | 29 Ų | 29 | 97.4 Ų | 97.4 | 20% | 0.203 | 53% | 0.53 | C | S | . | . | trans | -84.7 | 125.1 | -179.1 | 68.9 | 0 | 0 | 0 | 0 | 107 | R315 Q357 I449 T453 | R315-S451 WeakPolarHBondContact O-CB 3.38Å; Q357-S451 PolarHBondContact OE1-OG 3.29Å; I449-S451 PolarHBondContact O-N 3.05Å; S451-T453 VanDerWaalsContact C-N 3.27Å; S451-T453 PolarHBondContact O-N 2.67Å | ||
| 452 | R | 46.7 | Very low | 59.6 | Low | 207 Ų | 207 | 103.7 Ų | 103.7 | 78% | 0.781 | 56% | 0.561 | S | S | * | * | trans | -73.2 | 95.2 | 159.7 | -68.1 | -172.2 | -171.8 | -159.2 | 3.2 | 105.1 | I454 | R452-I454 PolarHBondContact O-N 2.78Š| ||
| 453 | T | 46.1 | Very low | 59 | Low | 90 Ų | 90 | 105.7 Ų | 105.7 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -52 | 110.6 | 177.9 | -32.8 | 0 | 0 | 0 | 0 | 107.9 | S451 G455 K456 | S451-T453 VanDerWaalsContact C-N 3.27Å; S451-T453 PolarHBondContact O-N 2.67Å; T453-G455 PolarHBondContact O-N 2.9Å; T453-K456 PolarHBondContact O-N 3.19Å | ||
| 454 | I | 50.2 | Low | 58.4 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 32% | 0.318 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -19.3 | -173.2 | -66.4 | 164.9 | 0 | 0 | 0 | 111.3 | P312 R315 R452 K456 | P312-I454 HydrophobicContact CB-CD1 4.43Å; P312-I454 HydrophobicContact CB-CG2 4.37Å; P312-I454 HydrophobicContact CG-CG2 4.33Å; R315-I454 HydrophobicContact CB-CD1 3.35Å; R315-I454 HydrophobicContact CB-CG1 4Å; R315-I454 HydrophobicContact CG-CD1 4.3Å; R452-I454 PolarHBondContact O-N 2.78Å; I454-K456 VanDerWaalsContact C-N 3.29Å; I454-K456 PolarHBondContact O-N 2.97Å |
| 455 | G | 47.9 | Very low | 58.2 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.7 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | T453 | T453-G455 PolarHBondContact O-N 2.9Š|
| 456 | K | 44.7 | Very low | 58.3 | Low | 170 Ų | 170 | 118 Ų | 118 | 74% | 0.739 | 63% | 0.629 | S | S | * | * | trans | -118.4 | 92.4 | 163 | -88.2 | 178.9 | 175.9 | 176.3 | 0 | 106.7 | T453 I454 D458 | T453-K456 PolarHBondContact O-N 3.19Å; I454-K456 VanDerWaalsContact C-N 3.29Å; I454-K456 PolarHBondContact O-N 2.97Å; K456-D458 PolarHBondContact O-N 2.95Å | ||
| 457 | L | 45.9 | Very low | 58.8 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | trans | -51.3 | 106.3 | 141 | -159.3 | 81.7 | 0 | 0 | 0 | 102.8 | N459 | L457-N459 VanDerWaalsContact C-N 3.33Å; L457-N459 PolarHBondContact O-N 2.83Å | ||
| 458 | D | 51.4 | Low | 59.7 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | trans | -45 | 114.9 | 168 | -76 | -40.8 | 0 | 0 | 0 | 103.4 | K456 L460 | K456-D458 PolarHBondContact O-N 2.95Å; D458-L460 VanDerWaalsContact C-N 3.26Å; D458-L460 PolarHBondContact O-N 2.94Å | ||
| 459 | N | 50.5 | Low | 60.8 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -46.3 | 111.2 | 171.5 | -98.5 | -17 | 0 | 0 | 0 | 102.4 | L457 N461 | L457-N459 VanDerWaalsContact C-N 3.33Å; L457-N459 PolarHBondContact O-N 2.83Å; N459-N461 VanDerWaalsContact C-N 3.31Å; N459-N461 PolarHBondContact O-N 2.76Å | ||
| 460 | L | 55.3 | Low | 62.2 | Low | 144 Ų | 144 | 123.1 Ų | 123.1 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -47.7 | 114.8 | 173.7 | -85.6 | 157.3 | 0 | 0 | 0 | 102.1 | D458 I462 | D458-L460 VanDerWaalsContact C-N 3.26Å; D458-L460 PolarHBondContact O-N 2.94Å; L460-I462 HydrophobicContact CB-CG1 4.42Å; L460-I462 WeakPolarHBondContact O-CG1 3.22Å; L460-I462 PolarHBondContact O-N 2.57Å | ||
| 461 | N | 60.7 | Low | 64 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | -70 | 81 | -177.7 | -84.4 | -33.3 | 0 | 0 | 0 | 103.7 | N459 P463 | N459-N461 VanDerWaalsContact C-N 3.31Å; N459-N461 PolarHBondContact O-N 2.76Å; N461-P463 WeakPolarHBondContact O-CD 3.34Å | ||
| 462 | I | 63.8 | Low | 65.9 | Low | 146 Ų | 146 | 124.3 Ų | 124.3 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | trans | -60.9 | 109.9 | -178.4 | -66.6 | 157.7 | 0 | 0 | 0 | 102.3 | L460 K464 | L460-I462 HydrophobicContact CB-CG1 4.42Å; L460-I462 WeakPolarHBondContact O-CG1 3.22Å; L460-I462 PolarHBondContact O-N 2.57Å; I462-K464 PolarHBondContact O-N 2.92Å | ||
| 463 | P | 66.7 | Low | 67.9 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 70% | 0.695 | 62% | 0.618 | S | S | * | * | trans | -57.5 | 132.7 | -174.5 | 20.5 | -29.4 | 0 | 0 | 0 | 107.4 | N461 K465 | N461-P463 WeakPolarHBondContact O-CD 3.34Å; P463-K465 PolarHBondContact O-N 2.93Å; P463-K465 VanDerWaalsContact O-N 3.14Å | ||
| 464 | K | 73.2 | Confident | 70 | Confident | 204 Ų | 204 | 115.1 Ų | 115.1 | 89% | 0.887 | 61% | 0.612 | S | S | * | * | trans | -54 | 126.3 | 172.8 | -72.8 | -176.3 | 178.8 | 179.7 | 0 | 107.1 | I462 S466 | I462-K464 PolarHBondContact O-N 2.92Å; K464-S466 PolarHBondContact O-N 2.7Å | ||
| 465 | K | 76.8 | Confident | 72 | Confident | 151 Ų | 151 | 118.3 Ų | 118.3 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -56.6 | 110.5 | 179.7 | -65.1 | -175.8 | -177.5 | -179.4 | 0 | 108 | P463 F469 M470 | P463-K465 PolarHBondContact O-N 2.93Å; P463-K465 VanDerWaalsContact O-N 3.14Å; K465-F469 HydrophobicContact CB-CD1 4.08Å; K465-F469 HydrophobicContact CD-CD1 4.27Å; K465-F469 HydrophobicContact CD-CE1 4.16Å; K465-F469 HydrophobicContact CG-CD1 4.07Å; K465-F469 HydrophobicContact CG-CE1 4.24Å; K465-M470 HydrophobicContact CB-CG 4.21Å; K465-M470 HydrophobicContact CB-SD 3.99Å; K465-M470 HydrophobicContact CD-SD 3.67Å; K465-M470 HydrophobicContact CG-SD 4.44Å | ||
| 466 | S | 83.7 | Confident | 74.1 | Confident | 63 Ų | 63 | 119 Ų | 119 | 44% | 0.441 | 60% | 0.603 | S | S | . | * | trans | -66.9 | 155.5 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | K464 L468 F469 M470 | K464-S466 PolarHBondContact O-N 2.7Å; S466-L468 PolarHBondContact O-N 2.87Å; S466-F469 WeakPolarHBondContact O-CB 3.35Å; S466-F469 PolarHBondContact O-N 2.87Å; S466-F469 WeakPolarHBondContact OG-CB 3.43Å; S466-F469 PolarHBondContact OG-N 3.47Å; S466-F469 VanDerWaalsContact OG-N 3.08Å; S466-M470 PolarHBondContact O-N 2.68Å | ||
| 467 | N | 85.4 | Confident | 76.3 | Confident | 131 Ų | 131 | 117.3 Ų | 117.3 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.5 | -33.3 | 175.5 | -135.1 | -5.8 | 0 | 0 | 0 | 111 | M470 N471 | N467-M470 PolarHBondContact O-N 3.12Å; N467-N471 WeakPolarHBondContact O-CB 3.32Å; N467-N471 VanDerWaalsContact O-CG 3.26Å; N467-N471 PolarHBondContact O-N 2.86Å; N467-N471 PolarHBondContact O-ND2 2.97Å |
| 468 | L | 83.5 | Confident | 78.6 | Confident | 129 Ų | 129 | 116.6 Ų | 116.6 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.6 | -44.2 | 173.2 | -158.1 | 103.6 | 0 | 0 | 0 | 112.3 | S466 N471 L472 | S466-L468 PolarHBondContact O-N 2.87Å; L468-N471 PolarHBondContact O-N 3.33Å; L468-L472 HydrophobicContact CD2-CD1 4.12Å; L468-L472 HydrophobicContact CG-CD1 4.5Å; L468-L472 WeakPolarHBondContact O-CB 3.25Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 2.88Å |
| 469 | F | 87 | Confident | 80.6 | Confident | 100 Ų | 100 | 112.6 Ų | 112.6 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -42.5 | 177.2 | 179.5 | -91 | 0 | 0 | 0 | 111.8 | K465 S466 L472 T473 | K465-F469 HydrophobicContact CB-CD1 4.08Å; K465-F469 HydrophobicContact CD-CD1 4.27Å; K465-F469 HydrophobicContact CD-CE1 4.16Å; K465-F469 HydrophobicContact CG-CD1 4.07Å; K465-F469 HydrophobicContact CG-CE1 4.24Å; S466-F469 WeakPolarHBondContact O-CB 3.35Å; S466-F469 PolarHBondContact O-N 2.87Å; S466-F469 WeakPolarHBondContact OG-CB 3.43Å; S466-F469 PolarHBondContact OG-N 3.47Å; S466-F469 VanDerWaalsContact OG-N 3.08Å; F469-L472 PolarHBondContact O-N 3.44Å; F469-T473 WeakPolarHBondContact CE1-OG1 3.2Å; F469-T473 WeakPolarHBondContact O-CB 3.33Å; F469-T473 PolarHBondContact O-N 3.11Å; F469-T473 PolarHBondContact O-OG1 2.92Å |
| 470 | M | 87.5 | Confident | 82.6 | Confident | 80 Ų | 80 | 108 Ų | 108 | 39% | 0.394 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 176.7 | -68.5 | -58.3 | -61 | 0 | 0 | 111.1 | K465 S466 N467 L472 T473 T474 | K465-M470 HydrophobicContact CB-CG 4.21Å; K465-M470 HydrophobicContact CB-SD 3.99Å; K465-M470 HydrophobicContact CD-SD 3.67Å; K465-M470 HydrophobicContact CG-SD 4.44Å; S466-M470 PolarHBondContact O-N 2.68Å; N467-M470 PolarHBondContact O-N 3.12Å; M470-L472 PolarHBondContact O-N 2.69Å; M470-T473 WeakPolarHBondContact O-CB 3.36Å; M470-T473 PolarHBondContact O-N 3.4Å; M470-T474 PolarHBondContact O-N 2.8Å; M470-T474 PolarHBondContact O-OG1 2.93Å; M470-T474 VanDerWaalsContact O-OG1 3.08Å |
| 471 | N | 89.9 | Confident | 84.4 | Confident | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 176.3 | -72.4 | -16.5 | 0 | 0 | 0 | 112.6 | N467 L468 T474 R475 | N467-N471 WeakPolarHBondContact O-CB 3.32Å; N467-N471 VanDerWaalsContact O-CG 3.26Å; N467-N471 PolarHBondContact O-N 2.86Å; N467-N471 PolarHBondContact O-ND2 2.97Å; L468-N471 PolarHBondContact O-N 3.33Å; N471-T474 PolarHBondContact O-N 3.5Å; N471-R475 VanDerWaalsContact O-CB 3.31Å; N471-R475 WeakPolarHBondContact O-CB 3.48Å; N471-R475 PolarHBondContact O-N 3.49Å |
| 472 | L | 87.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.3 | -78.5 | 167.2 | 0 | 0 | 0 | 111.3 | L468 F469 M470 T474 R475 E476 | L468-L472 HydrophobicContact CD2-CD1 4.12Å; L468-L472 HydrophobicContact CG-CD1 4.5Å; L468-L472 WeakPolarHBondContact O-CB 3.25Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 2.88Å; F469-L472 PolarHBondContact O-N 3.44Å; M470-L472 PolarHBondContact O-N 2.69Å; L472-T474 PolarHBondContact O-N 2.82Å; L472-R475 PolarHBondContact O-N 2.83Å; L472-E476 WeakPolarHBondContact O-CB 3.23Å; L472-E476 VanDerWaalsContact O-CG 3.26Å; L472-E476 WeakPolarHBondContact O-CG 3.34Å; L472-E476 PolarHBondContact O-N 2.79Å |
| 473 | T | 88.5 | Confident | 87.3 | Confident | 37 Ų | 37 | 100.4 Ų | 100.4 | 23% | 0.227 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | F469 M470 E476 Q477 | F469-T473 WeakPolarHBondContact CE1-OG1 3.2Å; F469-T473 WeakPolarHBondContact O-CB 3.33Å; F469-T473 PolarHBondContact O-N 3.11Å; F469-T473 PolarHBondContact O-OG1 2.92Å; M470-T473 WeakPolarHBondContact O-CB 3.36Å; M470-T473 PolarHBondContact O-N 3.4Å; T473-E476 PolarHBondContact O-N 3.35Å; T473-Q477 WeakPolarHBondContact O-CG 3.4Å; T473-Q477 PolarHBondContact O-N 2.79Å |
| 474 | T | 90.4 | Very high | 88.6 | Confident | 67 Ų | 67 | 102.8 Ų | 102.8 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.9 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | M470 N471 L472 E476 Q477 L478 | M470-T474 PolarHBondContact O-N 2.8Å; M470-T474 PolarHBondContact O-OG1 2.93Å; M470-T474 VanDerWaalsContact O-OG1 3.08Å; N471-T474 PolarHBondContact O-N 3.5Å; L472-T474 PolarHBondContact O-N 2.82Å; T474-E476 VanDerWaalsContact C-N 3.31Å; T474-E476 PolarHBondContact O-N 2.8Å; T474-Q477 PolarHBondContact O-N 2.74Å; T474-L478 HydrophobicContact CG2-CD1 4.36Å; T474-L478 WeakPolarHBondContact O-CG 3.46Å; T474-L478 PolarHBondContact O-N 2.97Å |
| 475 | R | 90.9 | Very high | 89.7 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.6 | -175.7 | -169.5 | 69.1 | 93.3 | 5 | 111.8 | N471 L472 N479 | N471-R475 VanDerWaalsContact O-CB 3.31Å; N471-R475 WeakPolarHBondContact O-CB 3.48Å; N471-R475 PolarHBondContact O-N 3.49Å; L472-R475 PolarHBondContact O-N 2.83Å; R475-N479 WeakPolarHBondContact O-CB 3.46Å; R475-N479 PolarHBondContact O-N 3.21Å; R475-N479 VanDerWaalsContact O-N 3.09Å; R475-N479 PolarHBondContact O-ND2 3.31Å |
| 476 | E | 92.9 | Very high | 90.5 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.3 | -78.8 | 176.8 | -164.8 | 0 | 0 | 111.3 | L472 T473 T474 L478 N479 A480 M483 | L472-E476 WeakPolarHBondContact O-CB 3.23Å; L472-E476 VanDerWaalsContact O-CG 3.26Å; L472-E476 WeakPolarHBondContact O-CG 3.34Å; L472-E476 PolarHBondContact O-N 2.79Å; T473-E476 PolarHBondContact O-N 3.35Å; T474-E476 VanDerWaalsContact C-N 3.31Å; T474-E476 PolarHBondContact O-N 2.8Å; E476-L478 PolarHBondContact O-N 2.91Å; E476-N479 CarbonylContact O-C 3.52Å; E476-N479 PolarHBondContact O-N 2.73Å; E476-A480 WeakPolarHBondContact O-CA 3.42Å; E476-A480 PolarHBondContact O-N 2.9Å; E476-M483 VanDerWaalsContact CA-CE 3.48Å; E476-M483 HydrophobicContact CB-CE 3.69Å; E476-M483 HydrophobicContact CB-SD 4.3Å; E476-M483 HydrophobicContact CG-CE 3.92Å; E476-M483 HydrophobicContact CG-SD 3.86Å; E476-M483 WeakPolarHBondContact O-CE 3.43Å |
| 477 | Q | 89.5 | Confident | 91.1 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -44 | 175.7 | -75 | 177.2 | -4.5 | 0 | 0 | 112.3 | T473 T474 N479 | T473-Q477 WeakPolarHBondContact O-CG 3.4Å; T473-Q477 PolarHBondContact O-N 2.79Å; T474-Q477 PolarHBondContact O-N 2.74Å; Q477-N479 VanDerWaalsContact C-N 3.33Å; Q477-N479 PolarHBondContact O-N 3.08Å |
| 478 | L | 94.5 | Very high | 91.6 | Very high | 133 Ų | 133 | 97.2 Ų | 97.2 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.1 | -32.5 | 178.6 | -69.4 | 171.5 | 0 | 0 | 0 | 112.9 | T474 E476 | T474-L478 HydrophobicContact CG2-CD1 4.36Å; T474-L478 WeakPolarHBondContact O-CG 3.46Å; T474-L478 PolarHBondContact O-N 2.97Å; E476-L478 PolarHBondContact O-N 2.91Å |
| 479 | N | 93.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 94.4 Ų | 94.4 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 13.1 | -177.1 | -62.7 | -55.9 | 0 | 0 | 0 | 113.9 | R475 E476 Q477 P481 Q482 M483 | R475-N479 WeakPolarHBondContact O-CB 3.46Å; R475-N479 PolarHBondContact O-N 3.21Å; R475-N479 VanDerWaalsContact O-N 3.09Å; R475-N479 PolarHBondContact O-ND2 3.31Å; E476-N479 CarbonylContact O-C 3.52Å; E476-N479 PolarHBondContact O-N 2.73Å; Q477-N479 VanDerWaalsContact C-N 3.33Å; Q477-N479 PolarHBondContact O-N 3.08Å; N479-P481 VanDerWaalsContact C-CD 3.45Å; N479-P481 VanDerWaalsContact C-N 3.34Å; N479-Q482 PolarHBondContact O-N 3.48Å; N479-M483 PolarHBondContact O-N 2.87Å |
| 480 | A | 92.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 93.4 Ų | 93.4 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -51.8 | -43.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E476 Q482 M483 Y484 | E476-A480 WeakPolarHBondContact O-CA 3.42Å; E476-A480 PolarHBondContact O-N 2.9Å; A480-Q482 VanDerWaalsContact C-N 3.34Å; A480-Q482 PolarHBondContact O-N 3.48Å; A480-M483 PolarHBondContact O-N 2.85Å; A480-Y484 WeakPolarHBondContact O-CB 3.33Å; A480-Y484 PolarHBondContact O-N 3.23Å |
| 481 | P | 93 | Very high | 93 | Very high | 81 Ų | 81 | 92.5 Ų | 92.5 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 177.7 | -22.2 | 34.3 | 0 | 0 | 0 | 113.5 | N479 R485 | N479-P481 VanDerWaalsContact C-CD 3.45Å; N479-P481 VanDerWaalsContact C-N 3.34Å; P481-R485 VanDerWaalsContact O-CG 3.27Å; P481-R485 WeakPolarHBondContact O-CG 3.39Å; P481-R485 PolarHBondContact O-N 2.96Å; P481-R485 VanDerWaalsContact O-N 3.15Å |
| 482 | Q | 93.8 | Very high | 93.3 | Very high | 129 Ų | 129 | 95.1 Ų | 95.1 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71.9 | -44.3 | 178.6 | -68.4 | 179.7 | -12.6 | 0 | 0 | 111.1 | N479 A480 Y484 R485 Q486 | N479-Q482 PolarHBondContact O-N 3.48Å; A480-Q482 VanDerWaalsContact C-N 3.34Å; A480-Q482 PolarHBondContact O-N 3.48Å; Q482-Y484 VanDerWaalsContact C-N 3.32Å; Q482-Y484 PolarHBondContact O-N 2.98Å; Q482-R485 PolarHBondContact O-N 3.22Å; Q482-Q486 PolarHBondContact O-N 3.24Å |
| 483 | M | 91.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 98.4 Ų | 98.4 | 37% | 0.369 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.4 | -68.5 | -171.1 | -59.5 | 0 | 0 | 111.9 | E476 N479 A480 Q486 F487 | E476-M483 VanDerWaalsContact CA-CE 3.48Å; E476-M483 HydrophobicContact CB-CE 3.69Å; E476-M483 HydrophobicContact CB-SD 4.3Å; E476-M483 HydrophobicContact CG-CE 3.92Å; E476-M483 HydrophobicContact CG-SD 3.86Å; E476-M483 WeakPolarHBondContact O-CE 3.43Å; N479-M483 PolarHBondContact O-N 2.87Å; A480-M483 PolarHBondContact O-N 2.85Å; M483-Q486 PolarHBondContact O-N 2.89Å; M483-F487 WeakPolarHBondContact O-CB 3.35Å; M483-F487 PolarHBondContact O-N 3.03Å |
| 484 | Y | 94.7 | Very high | 94 | Very high | 158 Ų | 158 | 101.2 Ų | 101.2 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 175.5 | -178.8 | -103.7 | 0 | 0 | 0 | 111.9 | A480 Q482 Q486 F487 V488 | A480-Y484 WeakPolarHBondContact O-CB 3.33Å; A480-Y484 PolarHBondContact O-N 3.23Å; Q482-Y484 VanDerWaalsContact C-N 3.32Å; Q482-Y484 PolarHBondContact O-N 2.98Å; Y484-Q486 VanDerWaalsContact C-N 3.34Å; Y484-Q486 PolarHBondContact O-N 3.25Å; Y484-F487 PolarHBondContact O-N 3.44Å; Y484-V488 HydrophobicContact CD1-CG2 4.17Å; Y484-V488 HydrophobicContact CD2-CG2 4.38Å; Y484-V488 HydrophobicContact CE1-CG2 3.72Å; Y484-V488 HydrophobicContact CE2-CG2 3.96Å; Y484-V488 HydrophobicContact CG-CG2 4.48Å; Y484-V488 WeakPolarHBondContact O-CB 3.26Å; Y484-V488 VanDerWaalsContact O-CG2 3.29Å; Y484-V488 WeakPolarHBondContact O-CG2 3.33Å; Y484-V488 PolarHBondContact O-N 2.91Å |
| 485 | R | 95.4 | Very high | 94.2 | Very high | 176 Ų | 176 | 104.1 Ų | 104.1 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 175.5 | -73.3 | 171.2 | -174.9 | -178.6 | 2.2 | 111.8 | P481 Q482 V488 N489 | P481-R485 VanDerWaalsContact O-CG 3.27Å; P481-R485 WeakPolarHBondContact O-CG 3.39Å; P481-R485 PolarHBondContact O-N 2.96Å; P481-R485 VanDerWaalsContact O-N 3.15Å; Q482-R485 PolarHBondContact O-N 3.22Å; R485-V488 PolarHBondContact O-N 2.96Å; R485-N489 PolarHBondContact O-N 3.38Å |
| 486 | Q | 94.7 | Very high | 94.4 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 176.2 | -174.5 | 58.8 | 30.4 | 0 | 0 | 111.1 | Q482 M483 Y484 V488 N489 D490 | Q482-Q486 PolarHBondContact O-N 3.24Å; M483-Q486 PolarHBondContact O-N 2.89Å; Y484-Q486 VanDerWaalsContact C-N 3.34Å; Y484-Q486 PolarHBondContact O-N 3.25Å; Q486-V488 VanDerWaalsContact C-N 3.33Å; Q486-V488 PolarHBondContact O-N 2.76Å; Q486-N489 WeakPolarHBondContact O-CB 3.35Å; Q486-N489 PolarHBondContact O-N 3.39Å; Q486-N489 VanDerWaalsContact O-N 3.1Å; Q486-D490 PolarHBondContact NE2-OD1 2.93Å; Q486-D490 PolarHBondContact NE2-OD2 2.96Å; Q486-D490 VanDerWaalsContact NE2-OD2 3.09Å; Q486-D490 VanDerWaalsContact O-CG 3.31Å; Q486-D490 PolarHBondContact O-N 2.85Å |
| 487 | F | 95.4 | Very high | 94.5 | Very high | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.9 | -45 | 175.5 | 170 | -100 | 0 | 0 | 0 | 112.4 | M483 Y484 N489 D490 L491 | M483-F487 WeakPolarHBondContact O-CB 3.35Å; M483-F487 PolarHBondContact O-N 3.03Å; Y484-F487 PolarHBondContact O-N 3.44Å; F487-N489 VanDerWaalsContact C-N 3.34Å; F487-N489 PolarHBondContact O-N 2.89Å; F487-D490 PolarHBondContact O-N 2.88Å; F487-L491 HydrophobicContact CE1-CD2 4.23Å; F487-L491 HydrophobicContact CZ-CD2 4.32Å; F487-L491 WeakPolarHBondContact O-CB 3.49Å; F487-L491 PolarHBondContact O-N 2.88Å |
| 488 | V | 95.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 104.3 Ų | 104.3 | 19% | 0.194 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | Y484 R485 Q486 R492 | Y484-V488 HydrophobicContact CD1-CG2 4.17Å; Y484-V488 HydrophobicContact CD2-CG2 4.38Å; Y484-V488 HydrophobicContact CE1-CG2 3.72Å; Y484-V488 HydrophobicContact CE2-CG2 3.96Å; Y484-V488 HydrophobicContact CG-CG2 4.48Å; Y484-V488 WeakPolarHBondContact O-CB 3.26Å; Y484-V488 VanDerWaalsContact O-CG2 3.29Å; Y484-V488 WeakPolarHBondContact O-CG2 3.33Å; Y484-V488 PolarHBondContact O-N 2.91Å; R485-V488 PolarHBondContact O-N 2.96Å; Q486-V488 VanDerWaalsContact C-N 3.33Å; Q486-V488 PolarHBondContact O-N 2.76Å; V488-R492 VanDerWaalsContact O-CG 3.26Å; V488-R492 WeakPolarHBondContact O-CG 3.49Å; V488-R492 PolarHBondContact O-N 2.81Å |
| 489 | N | 95.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 101.7 Ų | 101.7 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.9 | -82.6 | -14.7 | 0 | 0 | 0 | 111.8 | R485 Q486 F487 L491 R492 F493 | R485-N489 PolarHBondContact O-N 3.38Å; Q486-N489 WeakPolarHBondContact O-CB 3.35Å; Q486-N489 PolarHBondContact O-N 3.39Å; Q486-N489 VanDerWaalsContact O-N 3.1Å; F487-N489 VanDerWaalsContact C-N 3.34Å; F487-N489 PolarHBondContact O-N 2.89Å; N489-L491 VanDerWaalsContact C-N 3.31Å; N489-L491 PolarHBondContact O-N 3.33Å; N489-R492 WeakPolarHBondContact O-CB 3.29Å; N489-R492 PolarHBondContact O-N 2.95Å; N489-R492 VanDerWaalsContact O-N 3.09Å; N489-F493 VanDerWaalsContact O-CD2 3.26Å; N489-F493 WeakPolarHBondContact O-CD2 3.5Å; N489-F493 PolarHBondContact O-N 2.9Å |
| 490 | D | 96.5 | Very high | 93.9 | Very high | 79 Ų | 79 | 102.7 Ų | 102.7 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 178.9 | -65.8 | -22.1 | 0 | 0 | 0 | 111.2 | Q486 F487 R492 F493 L494 | Q486-D490 PolarHBondContact NE2-OD1 2.93Å; Q486-D490 PolarHBondContact NE2-OD2 2.96Å; Q486-D490 VanDerWaalsContact NE2-OD2 3.09Å; Q486-D490 VanDerWaalsContact O-CG 3.31Å; Q486-D490 PolarHBondContact O-N 2.85Å; F487-D490 PolarHBondContact O-N 2.88Å; D490-R492 VanDerWaalsContact C-N 3.31Å; D490-R492 PolarHBondContact O-N 3.27Å; D490-F493 PolarHBondContact O-N 3.04Å; D490-L494 WeakPolarHBondContact O-CB 3.32Å; D490-L494 PolarHBondContact O-N 3.47Å |
| 491 | L | 96.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 104.1 Ų | 104.1 | 32% | 0.319 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 173.4 | -175.9 | 65.3 | 0 | 0 | 0 | 111.8 | F487 N489 L494 K495 | F487-L491 HydrophobicContact CE1-CD2 4.23Å; F487-L491 HydrophobicContact CZ-CD2 4.32Å; F487-L491 WeakPolarHBondContact O-CB 3.49Å; F487-L491 PolarHBondContact O-N 2.88Å; N489-L491 VanDerWaalsContact C-N 3.31Å; N489-L491 PolarHBondContact O-N 3.33Å; L491-L494 PolarHBondContact O-N 3.13Å; L491-K495 WeakPolarHBondContact O-CB 3.12Å; L491-K495 VanDerWaalsContact O-CG 3.31Å; L491-K495 WeakPolarHBondContact O-CG 3.36Å; L491-K495 PolarHBondContact O-N 2.98Å |
| 492 | R | 95.6 | Very high | 92.5 | Very high | 161 Ų | 161 | 105.8 Ų | 105.8 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 174.3 | -73.2 | 168.4 | -176.3 | -178.5 | -0.1 | 111.3 | V488 N489 D490 K495 R496 | V488-R492 VanDerWaalsContact O-CG 3.26Å; V488-R492 WeakPolarHBondContact O-CG 3.49Å; V488-R492 PolarHBondContact O-N 2.81Å; N489-R492 WeakPolarHBondContact O-CB 3.29Å; N489-R492 PolarHBondContact O-N 2.95Å; N489-R492 VanDerWaalsContact O-N 3.09Å; D490-R492 VanDerWaalsContact C-N 3.31Å; D490-R492 PolarHBondContact O-N 3.27Å; R492-K495 PolarHBondContact O-N 3.05Å; R492-R496 WeakPolarHBondContact O-CB 3.11Å; R492-R496 PolarHBondContact O-N 2.95Å |
| 493 | F | 95.4 | Very high | 91.8 | Very high | 136 Ų | 136 | 104 Ų | 104 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 174.7 | -81.4 | -70.6 | 0 | 0 | 0 | 111.9 | N489 D490 R496 S497 | N489-F493 VanDerWaalsContact O-CD2 3.26Å; N489-F493 WeakPolarHBondContact O-CD2 3.5Å; N489-F493 PolarHBondContact O-N 2.9Å; D490-F493 PolarHBondContact O-N 3.04Å; F493-R496 PolarHBondContact O-N 2.99Å; F493-S497 WeakPolarHBondContact O-CB 3.34Å; F493-S497 PolarHBondContact O-N 3.16Å |
| 494 | L | 95.7 | Very high | 90.9 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.6 | -178.8 | 63.3 | 0 | 0 | 0 | 111.3 | D490 L491 R496 S497 I498 | D490-L494 WeakPolarHBondContact O-CB 3.32Å; D490-L494 PolarHBondContact O-N 3.47Å; L491-L494 PolarHBondContact O-N 3.13Å; L494-R496 VanDerWaalsContact C-N 3.35Å; L494-R496 PolarHBondContact O-N 2.86Å; L494-S497 WeakPolarHBondContact O-CB 3.34Å; L494-S497 PolarHBondContact O-N 3.37Å; L494-I498 HydrophobicContact CD1-CD1 4.19Å; L494-I498 HydrophobicContact CD1-CG1 4.36Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 HydrophobicContact CG-CG1 4.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.25Å; L494-I498 PolarHBondContact O-N 3.25Å |
| 495 | K | 96 | Very high | 89.4 | Confident | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | 176.3 | -76.8 | 178.4 | 178.9 | -174.8 | 0 | 111.7 | L491 R492 S497 I498 S499 | L491-K495 WeakPolarHBondContact O-CB 3.12Å; L491-K495 VanDerWaalsContact O-CG 3.31Å; L491-K495 WeakPolarHBondContact O-CG 3.36Å; L491-K495 PolarHBondContact O-N 2.98Å; R492-K495 PolarHBondContact O-N 3.05Å; K495-S497 VanDerWaalsContact C-N 3.34Å; K495-S497 PolarHBondContact O-N 3.5Å; K495-I498 PolarHBondContact O-N 2.93Å; K495-S499 WeakPolarHBondContact O-CB 3.49Å; K495-S499 PolarHBondContact O-N 2.74Å; K495-S499 PolarHBondContact O-OG 3.18Å; K495-S499 VanDerWaalsContact O-OG 3.11Å |
| 496 | R | 94.6 | Very high | 87.9 | Confident | 186 Ų | 186 | 95 Ų | 95 | 70% | 0.702 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 175.5 | -178.9 | -178.1 | 175 | -176.1 | -0.9 | 111.4 | R492 F493 L494 S499 S500 | R492-R496 WeakPolarHBondContact O-CB 3.11Å; R492-R496 PolarHBondContact O-N 2.95Å; F493-R496 PolarHBondContact O-N 2.99Å; L494-R496 VanDerWaalsContact C-N 3.35Å; L494-R496 PolarHBondContact O-N 2.86Å; R496-S499 PolarHBondContact O-N 2.95Å; R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.48Å; R496-S500 PolarHBondContact O-N 2.87Å |
| 497 | S | 93.8 | Very high | 86.5 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | F493 L494 K495 S499 S500 T501 | F493-S497 WeakPolarHBondContact O-CB 3.34Å; F493-S497 PolarHBondContact O-N 3.16Å; L494-S497 WeakPolarHBondContact O-CB 3.34Å; L494-S497 PolarHBondContact O-N 3.37Å; K495-S497 VanDerWaalsContact C-N 3.34Å; K495-S497 PolarHBondContact O-N 3.5Å; S497-S499 PolarHBondContact O-N 2.85Å; S497-S500 PolarHBondContact O-N 3Å; S497-T501 WeakPolarHBondContact O-CB 3.48Å; S497-T501 PolarHBondContact O-N 3.13Å; S497-T501 PolarHBondContact O-OG1 3.12Å |
| 498 | I | 88.6 | Confident | 84.8 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.3 | -68.1 | 166 | 0 | 0 | 0 | 110.2 | L494 K495 S500 T501 F502 | L494-I498 HydrophobicContact CD1-CD1 4.19Å; L494-I498 HydrophobicContact CD1-CG1 4.36Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 HydrophobicContact CG-CG1 4.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.25Å; L494-I498 PolarHBondContact O-N 3.25Å; K495-I498 PolarHBondContact O-N 2.93Å; I498-S500 PolarHBondContact O-N 2.78Å; I498-T501 PolarHBondContact O-N 2.81Å; I498-F502 WeakPolarHBondContact O-CB 3.24Å; I498-F502 PolarHBondContact O-N 3.26Å |
| 499 | S | 89.1 | Confident | 82.9 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | K495 R496 S497 F502 L503 | K495-S499 WeakPolarHBondContact O-CB 3.49Å; K495-S499 PolarHBondContact O-N 2.74Å; K495-S499 PolarHBondContact O-OG 3.18Å; K495-S499 VanDerWaalsContact O-OG 3.11Å; R496-S499 PolarHBondContact O-N 2.95Å; S497-S499 PolarHBondContact O-N 2.85Å; S499-F502 PolarHBondContact O-N 2.87Å; S499-L503 WeakPolarHBondContact O-CB 3.35Å; S499-L503 PolarHBondContact O-N 2.79Å |
| 500 | S | 88.1 | Confident | 80.9 | Confident | 73 Ų | 73 | 99 Ų | 99 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 177.7 | -170 | 0 | 0 | 0 | 0 | 111.4 | R496 S497 I498 F502 L503 N504 | R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.48Å; R496-S500 PolarHBondContact O-N 2.87Å; S497-S500 PolarHBondContact O-N 3Å; I498-S500 PolarHBondContact O-N 2.78Å; S500-F502 VanDerWaalsContact C-N 3.32Å; S500-L503 PolarHBondContact O-N 3.45Å; S500-N504 VanDerWaalsContact O-CB 3.3Å; S500-N504 WeakPolarHBondContact O-CB 3.47Å; S500-N504 PolarHBondContact O-N 2.75Å |
| 501 | T | 79.6 | Confident | 78.8 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | S497 I498 N504 M505 | S497-T501 WeakPolarHBondContact O-CB 3.48Å; S497-T501 PolarHBondContact O-N 3.13Å; S497-T501 PolarHBondContact O-OG1 3.12Å; I498-T501 PolarHBondContact O-N 2.81Å; T501-N504 PolarHBondContact O-N 2.77Å; T501-M505 HydrophobicContact CG2-CE 4.13Å; T501-M505 WeakPolarHBondContact O-CB 3.35Å; T501-M505 WeakPolarHBondContact O-CG 3.22Å; T501-M505 PolarHBondContact O-N 2.79Å |
| 502 | F | 75.9 | Confident | 76.8 | Confident | 117 Ų | 117 | 99 Ų | 99 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 176.6 | -173 | -108.2 | 0 | 0 | 0 | 112.5 | I498 S499 S500 N504 M505 L506 | I498-F502 WeakPolarHBondContact O-CB 3.24Å; I498-F502 PolarHBondContact O-N 3.26Å; S499-F502 PolarHBondContact O-N 2.87Å; S500-F502 VanDerWaalsContact C-N 3.32Å; F502-N504 VanDerWaalsContact C-N 3.35Å; F502-M505 WeakPolarHBondContact O-CB 3.37Å; F502-M505 PolarHBondContact O-N 2.82Å; F502-L506 HydrophobicContact CD1-CD1 3.79Å; F502-L506 HydrophobicContact CD1-CG 4.33Å; F502-L506 HydrophobicContact CE1-CD1 3.51Å; F502-L506 HydrophobicContact CE1-CD2 4.48Å; F502-L506 HydrophobicContact CE1-CG 4.07Å; F502-L506 HydrophobicContact CZ-CD1 4.19Å; F502-L506 HydrophobicContact CZ-CD2 4.37Å; F502-L506 HydrophobicContact CZ-CG 4.31Å; F502-L506 WeakPolarHBondContact O-CG 3.47Å; F502-L506 PolarHBondContact O-N 3.18Å |
| 503 | L | 79 | Confident | 74.8 | Confident | 90 Ų | 90 | 93 Ų | 93 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 173.4 | -178.6 | 65.7 | 0 | 0 | 0 | 110.8 | S499 S500 M505 L506 E507 | S499-L503 WeakPolarHBondContact O-CB 3.35Å; S499-L503 PolarHBondContact O-N 2.79Å; S500-L503 PolarHBondContact O-N 3.45Å; L503-M505 VanDerWaalsContact C-N 3.26Å; L503-M505 PolarHBondContact O-N 3.21Å; L503-L506 WeakPolarHBondContact O-CB 3.49Å; L503-L506 PolarHBondContact O-N 3.5Å; L503-E507 HydrophobicContact CD1-CG 4.36Å; L503-E507 HydrophobicContact CG-CG 4.42Å; L503-E507 WeakPolarHBondContact O-CG 3.46Å; L503-E507 PolarHBondContact O-N 2.75Å |
| 504 | N | 74.5 | Confident | 72.8 | Confident | 85 Ų | 85 | 89 Ų | 89 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 177.1 | -151.9 | 11.4 | 0 | 0 | 0 | 111.5 | S500 T501 F502 N508 | S500-N504 VanDerWaalsContact O-CB 3.3Å; S500-N504 WeakPolarHBondContact O-CB 3.47Å; S500-N504 PolarHBondContact O-N 2.75Å; T501-N504 PolarHBondContact O-N 2.77Å; F502-N504 VanDerWaalsContact C-N 3.35Å; N504-N508 VanDerWaalsContact O-CB 3.25Å; N504-N508 WeakPolarHBondContact O-CB 3.44Å; N504-N508 VanDerWaalsContact O-CG 3.26Å; N504-N508 PolarHBondContact O-N 3.12Å; N504-N508 PolarHBondContact O-ND2 2.81Å; N504-N508 PolarHBondContact OD1-ND2 3.36Å |
| 505 | M | 62.5 | Low | 70.8 | Confident | 67 Ų | 67 | 87.2 Ų | 87.2 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 170.9 | -80.1 | -161.2 | -94 | 0 | 0 | 112.7 | T501 F502 L503 Y509 N511 I513 | T501-M505 HydrophobicContact CG2-CE 4.13Å; T501-M505 WeakPolarHBondContact O-CB 3.35Å; T501-M505 WeakPolarHBondContact O-CG 3.22Å; T501-M505 PolarHBondContact O-N 2.79Å; F502-M505 WeakPolarHBondContact O-CB 3.37Å; F502-M505 PolarHBondContact O-N 2.82Å; L503-M505 VanDerWaalsContact C-N 3.26Å; L503-M505 PolarHBondContact O-N 3.21Å; M505-Y509 PolarHBondContact O-N 3.08Å; M505-Y509 VanDerWaalsContact O-N 3.11Å; M505-N511 PolarHBondContact SD-ND2 2.86Å; M505-I513 VanDerWaalsContact O-CD1 3.25Å; M505-I513 WeakPolarHBondContact O-CD1 3.29Å |
| 506 | L | 62.8 | Low | 68.5 | Low | 68 Ų | 68 | 86.3 Ų | 86.3 | 36% | 0.356 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 175.7 | -73.9 | 170.5 | 0 | 0 | 0 | 112.1 | F502 L503 I513 | F502-L506 HydrophobicContact CD1-CD1 3.79Å; F502-L506 HydrophobicContact CD1-CG 4.33Å; F502-L506 HydrophobicContact CE1-CD1 3.51Å; F502-L506 HydrophobicContact CE1-CD2 4.48Å; F502-L506 HydrophobicContact CE1-CG 4.07Å; F502-L506 HydrophobicContact CZ-CD1 4.19Å; F502-L506 HydrophobicContact CZ-CD2 4.37Å; F502-L506 HydrophobicContact CZ-CG 4.31Å; F502-L506 WeakPolarHBondContact O-CG 3.47Å; F502-L506 PolarHBondContact O-N 3.18Å; L503-L506 WeakPolarHBondContact O-CB 3.49Å; L503-L506 PolarHBondContact O-N 3.5Å; L506-I513 HydrophobicContact CD2-CD1 4.24Å; L506-I513 HydrophobicContact CD2-CG2 4.04Å |
| 507 | E | 66.7 | Low | 66.5 | Low | 122 Ų | 122 | 80.2 Ų | 80.2 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.2 | -40.2 | 179.7 | -72.4 | 178.6 | 169.8 | 0 | 0 | 112 | L503 Y509 | L503-E507 HydrophobicContact CD1-CG 4.36Å; L503-E507 HydrophobicContact CG-CG 4.42Å; L503-E507 WeakPolarHBondContact O-CG 3.46Å; L503-E507 PolarHBondContact O-N 2.75Å; E507-Y509 VanDerWaalsContact O-CD2 3.31Å; E507-Y509 WeakPolarHBondContact O-CD2 3.46Å |
| 508 | N | 59.5 | Low | 64.5 | Low | 91 Ų | 91 | 82.3 Ų | 82.3 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -86.6 | -6.5 | -177.9 | -63.9 | -37.4 | 0 | 0 | 0 | 114.2 | N504 S510 | N504-N508 VanDerWaalsContact O-CB 3.25Å; N504-N508 WeakPolarHBondContact O-CB 3.44Å; N504-N508 VanDerWaalsContact O-CG 3.26Å; N504-N508 PolarHBondContact O-N 3.12Å; N504-N508 PolarHBondContact O-ND2 2.81Å; N504-N508 PolarHBondContact OD1-ND2 3.36Å; N508-S510 VanDerWaalsContact CB-OG 3.27Å; N508-S510 WeakPolarHBondContact CB-OG 3.41Å; N508-S510 PolarHBondContact O-N 2.66Å; N508-S510 PolarHBondContact O-OG 2.89Å |
| 509 | Y | 55.1 | Low | 62.8 | Low | 134 Ų | 134 | 77.6 Ų | 77.6 | 53% | 0.525 | 44% | 0.437 | S | S | . | . | trans | 48.7 | 24.1 | -178.1 | -60.8 | -85.6 | 0 | 0 | 0 | 114.7 | M505 E507 N511 | M505-Y509 PolarHBondContact O-N 3.08Å; M505-Y509 VanDerWaalsContact O-N 3.11Å; E507-Y509 VanDerWaalsContact O-CD2 3.31Å; E507-Y509 WeakPolarHBondContact O-CD2 3.46Å; Y509-N511 PolarHBondContact O-N 3.28Å | ||
| 510 | S | 53.2 | Low | 61.2 | Low | 63 Ų | 63 | 79 Ų | 79 | 44% | 0.441 | 44% | 0.439 | S | S | . | . | trans | -75.5 | -11.8 | -167.5 | -47.3 | 0 | 0 | 0 | 0 | 114.1 | N508 | N508-S510 VanDerWaalsContact CB-OG 3.27Å; N508-S510 WeakPolarHBondContact CB-OG 3.41Å; N508-S510 PolarHBondContact O-N 2.66Å; N508-S510 PolarHBondContact O-OG 2.89Å | ||
| 511 | N | 52.2 | Low | 60.3 | Low | 82 Ų | 82 | 78.2 Ų | 78.2 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -118.9 | 152 | 172.3 | -77.1 | -49.6 | 0 | 0 | 0 | 109.2 | M505 Y509 I513 | M505-N511 PolarHBondContact SD-ND2 2.86Å; Y509-N511 PolarHBondContact O-N 3.28Å; N511-I513 HydrophobicContact CB-CG1 4.44Å; N511-I513 WeakPolarHBondContact O-CG1 3.46Å; N511-I513 PolarHBondContact O-N 2.88Å |
| 512 | P | 54.5 | Low | 60.2 | Low | 60 Ų | 60 | 75 Ų | 75 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | trans | -59.8 | 90.4 | 167.6 | 23.8 | -30.8 | 0 | 0 | 0 | 109.7 | P514 I616 S617 | P512-P514 WeakPolarHBondContact O-CD 3.49Å; P512-I616 HydrophobicContact CB-CD1 3.8Å; P512-I616 HydrophobicContact CB-CG1 3.7Å; P512-S617 WeakPolarHBondContact CA-O 3.48Å | ||
| 513 | I | 54.2 | Low | 60.6 | Low | 34 Ų | 34 | 75.2 Ų | 75.2 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | trans | -93.3 | 113.9 | 176.9 | -65 | 154.5 | 0 | 0 | 0 | 106.4 | M505 L506 N511 V515 | M505-I513 VanDerWaalsContact O-CD1 3.25Å; M505-I513 WeakPolarHBondContact O-CD1 3.29Å; L506-I513 HydrophobicContact CD2-CD1 4.24Å; L506-I513 HydrophobicContact CD2-CG2 4.04Å; N511-I513 HydrophobicContact CB-CG1 4.44Å; N511-I513 WeakPolarHBondContact O-CG1 3.46Å; N511-I513 PolarHBondContact O-N 2.88Å; I513-V515 PolarHBondContact O-N 3.18Å | ||
| 514 | P | 53.9 | Low | 60.9 | Low | 51 Ų | 51 | 71.2 Ų | 71.2 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -63 | 118.7 | 171.1 | 24.1 | -31 | 0 | 0 | 0 | 109.7 | P512 G519 | P512-P514 WeakPolarHBondContact O-CD 3.49Å; P514-G519 WeakPolarHBondContact CB-O 3.27Å |
| 515 | V | 53.3 | Low | 61.5 | Low | 59 Ų | 59 | 71.1 Ų | 71.1 | 36% | 0.358 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 132.1 | 169 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | I513 G517 G519 P614 I615 | I513-V515 PolarHBondContact O-N 3.18Å; V515-G517 PolarHBondContact O-N 2.93Å; V515-G519 PolarHBondContact O-N 3.48Å; V515-P614 WeakPolarHBondContact CG2-O 3.3Å; V515-I615 PolarHBondContact N-O 3.03Å |
| 516 | S | 48 | Very low | 62.8 | Low | 110 Ų | 110 | 68.8 Ų | 68.8 | 77% | 0.769 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | 126.1 | -175.4 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 517 | G | 51.6 | Low | 64.1 | Low | 58 Ų | 58 | 68.6 Ų | 68.6 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.1 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | V515 | V515-G517 PolarHBondContact O-N 2.93Š|
| 518 | Y | 52.9 | Low | 65.3 | Low | 110 Ų | 110 | 64.2 Ų | 64.2 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -33.4 | 179.9 | -76.8 | -82.1 | 0 | 0 | 0 | 113.5 | D520 Q521 I615 | Y518-D520 VanDerWaalsContact C-N 3.32Å; Y518-D520 PolarHBondContact O-N 3.02Å; Y518-Q521 PolarHBondContact O-N 3.45Å; Y518-I615 HydrophobicContact CG-CD1 4.35Å; Y518-I615 HydrophobicContact CG-CG1 4.46Å |
| 519 | G | 52.8 | Low | 66.7 | Low | 3 Ų | 3 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -66.4 | -31.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P514 V515 Q521 I522 | P514-G519 WeakPolarHBondContact CB-O 3.27Å; V515-G519 PolarHBondContact O-N 3.48Å; G519-Q521 PolarHBondContact O-N 3.38Å; G519-I522 PolarHBondContact O-N 3.4Å; G519-I522 VanDerWaalsContact O-N 3.16Å |
| 520 | D | 56 | Low | 68 | Low | 108 Ų | 108 | 60 Ų | 60 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -64.1 | -11.7 | -179.3 | -73 | -10.8 | 0 | 0 | 0 | 113.6 | Y518 | Y518-D520 VanDerWaalsContact C-N 3.32Å; Y518-D520 PolarHBondContact O-N 3.02Å |
| 521 | Q | 68 | Low | 69.1 | Low | 57 Ų | 57 | 62.5 Ų | 62.5 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -95.1 | -24.9 | -178.5 | -57.7 | -177.6 | 24.3 | 0 | 0 | 112.3 | Y518 G519 Q543 I544 L552 | Y518-Q521 PolarHBondContact O-N 3.45Å; G519-Q521 PolarHBondContact O-N 3.38Å; Q521-Q543 CarbonylContact O-C 3.55Å; Q521-Q543 VanDerWaalsContact O-CA 3.23Å; Q521-Q543 WeakPolarHBondContact O-CA 3.28Å; Q521-Q543 WeakPolarHBondContact O-CG 3.31Å; Q521-I544 PolarHBondContact O-N 2.89Å; Q521-L552 HydrophobicContact CB-CD1 4.33Å |
| 522 | I | 78 | Confident | 70.1 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.9 | -167.2 | -49.9 | 177.9 | 0 | 0 | 0 | 111.8 | G519 I541 V542 L552 L555 | G519-I522 PolarHBondContact O-N 3.4Å; G519-I522 VanDerWaalsContact O-N 3.16Å; I522-I541 HydrophobicContact CG2-CG2 3.27Å; I522-V542 CarbonylContact C-O 3.5Å; I522-V542 WeakPolarHBondContact CA-O 3.36Å; I522-L552 HydrophobicContact CD1-CD1 3.71Å; I522-L552 HydrophobicContact CG1-CD1 3.6Å; I522-L555 HydrophobicContact CD1-CD1 3.62Å |
| 523 | K | 83.5 | Confident | 71.5 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.1 | 165.1 | -159.5 | 177.1 | 178.5 | 178.6 | 0 | 110.1 | I541 V542 I544 | K523-I541 WeakPolarHBondContact O-CA 3.36Å; K523-V542 HydrophobicContact CB-CB 4.47Å; K523-V542 PolarHBondContact N-O 2.62Å; K523-V542 PolarHBondContact O-N 3.35Å; K523-I544 HydrophobicContact CB-CD1 3.57Å; K523-I544 HydrophobicContact CB-CG1 3.86Å; K523-I544 HydrophobicContact CD-CD1 4.2Å; K523-I544 HydrophobicContact CG-CD1 4.12Å |
| 524 | L | 85.9 | Confident | 73.1 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.9 | 166.5 | 178 | 69.8 | 0 | 0 | 0 | 108.6 | V526 C539 I541 V604 V606 I616 | L524-V526 HydrophobicContact CD1-CG2 4.04Å; L524-V526 HydrophobicContact CD2-CG2 3.74Å; L524-V526 HydrophobicContact CG-CG2 3.68Å; L524-C539 HydrophobicContact CD1-CB 4.32Å; L524-I541 HydrophobicContact CD1-CD1 4.44Å; L524-I541 HydrophobicContact CD1-CG1 3.83Å; L524-V604 HydrophobicContact CD2-CG1 4.14Å; L524-V606 HydrophobicContact CD1-CG2 4.14Å; L524-V606 HydrophobicContact CD2-CG2 4.16Å; L524-I616 HydrophobicContact CB-CD1 3.84Å; L524-I616 HydrophobicContact CB-CG1 4.22Å; L524-I616 HydrophobicContact CB-CG2 3.8Å; L524-I616 HydrophobicContact CD2-CG2 4.13Å |
| 525 | N | 87.6 | Confident | 74.8 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.6 | 168.9 | -175.4 | 26 | 0 | 0 | 0 | 108.5 | E540 | N525-E540 HydrophobicContact CB-CB 4.29Å; N525-E540 PolarHBondContact N-O 2.86Å; N525-E540 PolarHBondContact O-N 3.34Å |
| 526 | V | 90.1 | Very high | 76.7 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.8 | -177.2 | -168 | 0 | 0 | 0 | 0 | 109 | L524 L537 I538 V604 V620 | L524-V526 HydrophobicContact CD1-CG2 4.04Å; L524-V526 HydrophobicContact CD2-CG2 3.74Å; L524-V526 HydrophobicContact CG-CG2 3.68Å; V526-L537 HydrophobicContact CG1-CD1 3.56Å; V526-L537 HydrophobicContact CG1-CG 4.23Å; V526-I538 WeakPolarHBondContact CA-O 3.48Å; V526-V604 HydrophobicContact CG1-CG2 3.9Å; V526-V604 HydrophobicContact CG2-CB 4.17Å; V526-V604 HydrophobicContact CG2-CG1 4.23Å; V526-V604 HydrophobicContact CG2-CG2 4.38Å; V526-V620 HydrophobicContact CB-CG2 3.74Å; V526-V620 HydrophobicContact CG1-CG2 3.47Å; V526-V620 VanDerWaalsContact CG1-CG2 3.47Å |
| 527 | Q | 89.8 | Confident | 78.9 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147 | 176.3 | 64.6 | -170.5 | -20.4 | 0 | 0 | 109.7 | I538 | Q527-I538 HydrophobicContact CG-CB 3.63Å; Q527-I538 HydrophobicContact CG-CD1 4Å; Q527-I538 HydrophobicContact CG-CG1 4.44Å; Q527-I538 HydrophobicContact CG-CG2 4.06Å; Q527-I538 PolarHBondContact N-O 3Å; Q527-I538 PolarHBondContact O-N 2.85Å |
| 528 | V | 90.7 | Very high | 80.9 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 173.4 | 171 | 0 | 0 | 0 | 0 | 107.9 | F535 L537 V620 M622 P623 | V528-F535 HydrophobicContact CG1-CB 3.97Å; V528-F535 HydrophobicContact CG1-CD1 4.16Å; V528-F535 HydrophobicContact CG1-CG 4.33Å; V528-L537 HydrophobicContact CG2-CD1 3.46Å; V528-L537 VanDerWaalsContact CG2-CD1 3.46Å; V528-V620 HydrophobicContact CB-CG1 4.25Å; V528-V620 HydrophobicContact CG2-CB 4.37Å; V528-V620 HydrophobicContact CG2-CG1 3.56Å; V528-M622 HydrophobicContact CB-SD 4.47Å; V528-M622 HydrophobicContact CG1-CE 4.39Å; V528-M622 HydrophobicContact CG1-SD 3.97Å; V528-M622 HydrophobicContact CG2-SD 3.82Å; V528-P623 HydrophobicContact CG1-CG 4.35Å |
| 529 | Q | 88.9 | Confident | 82.9 | Confident | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.4 | 176.6 | -68.8 | -176.7 | -13.2 | 0 | 0 | 110 | F535 T536 I538 | Q529-F535 CarbonylContact O-C 3.6Å; Q529-F535 VanDerWaalsContact O-CA 3.29Å; Q529-F535 WeakPolarHBondContact O-CA 3.3Å; Q529-T536 PolarHBondContact N-O 2.78Å; Q529-T536 PolarHBondContact O-N 2.96Å; Q529-I538 HydrophobicContact CB-CD1 4.35Å; Q529-I538 HydrophobicContact CG-CD1 3.76Å; Q529-I538 VanDerWaalsContact OE1-CD1 3.22Å |
| 530 | G | 83.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | 125.7 | 154.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F535 | G530-F535 WeakPolarHBondContact O-CD1 3.41Å; G530-F535 WeakPolarHBondContact O-CE1 3.39Å | ||
| 531 | L | 76.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 45.5 Ų | 45.5 | 61% | 0.607 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -107.3 | 7.4 | 176.6 | -63.9 | 172 | 0 | 0 | 0 | 112.1 | S625 E626 | L531-S625 WeakPolarHBondContact O-CA 3.08Å; L531-E626 PolarHBondContact O-N 3.39Å |
| 532 | G | 74.5 | Confident | 87 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 85.8 | 164.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S625 | G532-S625 WeakPolarHBondContact CA-OG 3.16Š|
| 533 | P | 82.1 | Confident | 87.1 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | S | Bend | cis | -72.8 | -10.1 | -6.2 | 31.9 | -35.6 | 0 | 0 | 0 | 112.8 | T591 L592 | P533-T591 CarbonylContact O-C 3.59Å; P533-T591 WeakPolarHBondContact O-CA 3.14Å; P533-L592 HydrophobicContact CB-CB 4.15Å; P533-L592 WeakPolarHBondContact O-CB 3.34Å; P533-L592 PolarHBondContact O-N 2.86Å |
| 534 | E | 88 | Confident | 86.4 | Confident | 141 Ų | 141 | 44 Ų | 44 | 66% | 0.659 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.7 | 174.3 | -63.5 | -168 | 159.4 | 0 | 0 | 111.8 | I590 T591 | E534-I590 CarbonylContact C-O 3.58Å; E534-T591 HydrophobicContact CG-CG2 4.34Å |
| 535 | F | 90.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.9 | 175.4 | -49.5 | -88.5 | 0 | 0 | 0 | 110.2 | V528 Q529 G530 Y566 I590 L592 M622 P623 | V528-F535 HydrophobicContact CG1-CB 3.97Å; V528-F535 HydrophobicContact CG1-CD1 4.16Å; V528-F535 HydrophobicContact CG1-CG 4.33Å; Q529-F535 CarbonylContact O-C 3.6Å; Q529-F535 VanDerWaalsContact O-CA 3.29Å; Q529-F535 WeakPolarHBondContact O-CA 3.3Å; G530-F535 WeakPolarHBondContact O-CD1 3.41Å; G530-F535 WeakPolarHBondContact O-CE1 3.39Å; F535-Y566 HydrophobicContact CD2-CE1 4.5Å; F535-Y566 HydrophobicContact CE2-CE1 4.17Å; F535-I590 HydrophobicContact CB-CB 4.17Å; F535-I590 HydrophobicContact CD2-CG2 4.47Å; F535-I590 PolarHBondContact N-O 2.99Å; F535-I590 PolarHBondContact O-N 2.83Å; F535-L592 HydrophobicContact CE2-CB 4.4Å; F535-M622 HydrophobicContact CB-CE 4.25Å; F535-M622 HydrophobicContact CD2-CE 3.75Å; F535-M622 HydrophobicContact CE2-CE 4.25Å; F535-M622 HydrophobicContact CG-CE 3.99Å; F535-P623 HydrophobicContact CD1-CG 3.99Å; F535-P623 HydrophobicContact CE1-CG 3.58Å; F535-P623 HydrophobicContact CZ-CG 4.38Å |
| 536 | T | 93.4 | Very high | 83.7 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.3 | 171.2 | -56 | 0 | 0 | 0 | 0 | 108.9 | Q529 I538 T587 | Q529-T536 PolarHBondContact N-O 2.78Å; Q529-T536 PolarHBondContact O-N 2.96Å; T536-I538 HydrophobicContact CG2-CG1 4.16Å; T536-T587 HydrophobicContact CG2-CG2 4.34Å |
| 537 | L | 94 | Very high | 82 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.2 | 168 | -171.6 | 70.8 | 0 | 0 | 0 | 108.9 | V526 V528 I559 T587 S588 I590 V604 | V526-L537 HydrophobicContact CG1-CD1 3.56Å; V526-L537 HydrophobicContact CG1-CG 4.23Å; V528-L537 HydrophobicContact CG2-CD1 3.46Å; V528-L537 VanDerWaalsContact CG2-CD1 3.46Å; L537-I559 HydrophobicContact CD2-CD1 3.55Å; L537-I559 HydrophobicContact CD2-CG1 3.87Å; L537-I559 HydrophobicContact CD2-CG2 4.12Å; L537-T587 CarbonylContact O-C 3.56Å; L537-T587 WeakPolarHBondContact O-CA 3.32Å; L537-S588 PolarHBondContact N-O 2.93Å; L537-S588 PolarHBondContact O-N 2.87Å; L537-I590 HydrophobicContact CB-CD1 3.68Å; L537-I590 HydrophobicContact CB-CG1 4.26Å; L537-I590 HydrophobicContact CD1-CD1 4.38Å; L537-I590 HydrophobicContact CG-CD1 4.45Å; L537-V604 HydrophobicContact CD2-CG2 3.9Å |
| 538 | I | 94.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.2 | 176.1 | -63.2 | 146.9 | 0 | 0 | 0 | 108.6 | V526 Q527 Q529 T536 E540 R585 Y586 T587 | V526-I538 WeakPolarHBondContact CA-O 3.48Å; Q527-I538 HydrophobicContact CG-CB 3.63Å; Q527-I538 HydrophobicContact CG-CD1 4Å; Q527-I538 HydrophobicContact CG-CG1 4.44Å; Q527-I538 HydrophobicContact CG-CG2 4.06Å; Q527-I538 PolarHBondContact N-O 3Å; Q527-I538 PolarHBondContact O-N 2.85Å; Q529-I538 HydrophobicContact CB-CD1 4.35Å; Q529-I538 HydrophobicContact CG-CD1 3.76Å; Q529-I538 VanDerWaalsContact OE1-CD1 3.22Å; T536-I538 HydrophobicContact CG2-CG1 4.16Å; I538-E540 HydrophobicContact CG2-CG 4.01Å; I538-R585 HydrophobicContact CG2-CG 3.91Å; I538-R585 VanDerWaalsContact CG2-CZ 3.41Å; I538-Y586 WeakPolarHBondContact CA-O 3.41Å; I538-T587 HydrophobicContact CG1-CG2 3.91Å |
| 539 | C | 93.1 | Very high | 78.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.6 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | L524 I557 R585 Y586 | L524-C539 HydrophobicContact CD1-CB 4.32Å; C539-I557 HydrophobicContact CB-CD1 3.89Å; C539-R585 WeakPolarHBondContact O-CA 3.11Å; C539-Y586 PolarHBondContact N-O 2.89Å; C539-Y586 PolarHBondContact O-N 3.02Å |
| 540 | E | 91.6 | Very high | 77.9 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.1 | 177.9 | -58.5 | -178.7 | 144.3 | 0 | 0 | 110 | N525 I538 K583 Y584 R585 | N525-E540 HydrophobicContact CB-CB 4.29Å; N525-E540 PolarHBondContact N-O 2.86Å; N525-E540 PolarHBondContact O-N 3.34Å; I538-E540 HydrophobicContact CG2-CG 4.01Å; E540-K583 WeakPolarHBondContact OE1-CE 3.41Å; E540-K583 IonicContact OE1-NZ 3.17Å; E540-K583 PolarHBondContact OE1-NZ 2.91Å; E540-K583 WeakPolarHBondContact OE2-CE 3.37Å; E540-K583 IonicContact OE2-NZ 2.85Å; E540-K583 PolarHBondContact OE2-NZ 3.41Å; E540-Y584 CarbonylContact C-O 3.48Å; E540-Y584 VanDerWaalsContact CA-O 3.25Å; E540-Y584 WeakPolarHBondContact CA-O 3.45Å; E540-R585 HydrophobicContact CG-CB 4.46Å; E540-R585 HydrophobicContact CG-CG 4.24Å; E540-R585 IonicContact OE1-NH1 3.89Å; E540-R585 PolarHBondContact OE1-NH1 2.97Å |
| 541 | I | 88.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.1 | -178.7 | -56.3 | -178.9 | 0 | 0 | 0 | 109.3 | I522 K523 L524 I557 V575 I578 Y584 V606 | I522-I541 HydrophobicContact CG2-CG2 3.27Å; K523-I541 WeakPolarHBondContact O-CA 3.36Å; L524-I541 HydrophobicContact CD1-CD1 4.44Å; L524-I541 HydrophobicContact CD1-CG1 3.83Å; I541-I557 HydrophobicContact CD1-CD1 3.74Å; I541-I557 HydrophobicContact CD1-CG1 3.84Å; I541-I557 HydrophobicContact CG1-CD1 4.5Å; I541-V575 HydrophobicContact CD1-CG1 4.21Å; I541-V575 HydrophobicContact CD1-CG2 3.96Å; I541-I578 HydrophobicContact CB-CD1 4.43Å; I541-I578 HydrophobicContact CG2-CD1 3.53Å; I541-Y584 PolarHBondContact N-O 3.47Å; I541-Y584 PolarHBondContact O-N 3.44Å; I541-V606 HydrophobicContact CD1-CG2 4.07Å |
| 542 | V | 83.4 | Confident | 77.5 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.4 | 178 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | I522 K523 K583 | I522-V542 CarbonylContact C-O 3.5Å; I522-V542 WeakPolarHBondContact CA-O 3.36Å; K523-V542 HydrophobicContact CB-CB 4.47Å; K523-V542 PolarHBondContact N-O 2.62Å; K523-V542 PolarHBondContact O-N 3.35Å; V542-K583 HydrophobicContact CG2-CB 3.93Å; V542-K583 HydrophobicContact CG2-CD 4.44Å; V542-K583 HydrophobicContact CG2-CG 3.78Å |
| 543 | Q | 79.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.5 | 170.3 | -173.2 | 165.5 | -9.6 | 0 | 0 | 110.4 | Q521 S550 L552 I578 | Q521-Q543 CarbonylContact O-C 3.55Å; Q521-Q543 VanDerWaalsContact O-CA 3.23Å; Q521-Q543 WeakPolarHBondContact O-CA 3.28Å; Q521-Q543 WeakPolarHBondContact O-CG 3.31Å; Q543-S550 PolarHBondContact NE2-O 2.92Å; Q543-L552 HydrophobicContact CG-CD1 4.19Å; Q543-I578 HydrophobicContact CB-CG2 3.9Å |
| 544 | I | 69.7 | Low | 78 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | trans | -86.8 | -40.3 | -175.9 | -55.9 | 162.7 | 0 | 0 | 0 | 111.8 | Q521 K523 | Q521-I544 PolarHBondContact O-N 2.89Å; K523-I544 HydrophobicContact CB-CD1 3.57Å; K523-I544 HydrophobicContact CB-CG1 3.86Å; K523-I544 HydrophobicContact CD-CD1 4.2Å; K523-I544 HydrophobicContact CG-CD1 4.12Å | ||
| 545 | K | 59.8 | Low | 78 | Confident | 137 Ų | 137 | 51 Ų | 51 | 60% | 0.596 | 28% | 0.284 | S | S | * | . | trans | -125.2 | 127.9 | -173.3 | -89.4 | -177.1 | 175.3 | 177.7 | 0 | 111.3 | ||||
| 546 | S | 57.2 | Low | 78.1 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | trans | -146.6 | 106 | 159.3 | 89.7 | 0 | 0 | 0 | 0 | 108.4 | T548 | S546-T548 WeakPolarHBondContact CB-O 3.48Å; S546-T548 PolarHBondContact OG-O 2.66Å | ||
| 547 | N | 54.6 | Low | 78 | Confident | 174 Ų | 174 | 51.2 Ų | 51.2 | 93% | 0.93 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -68.1 | -26.6 | 167.6 | -81.6 | 11.5 | 0 | 0 | 0 | 110 | ||
| 548 | T | 54.6 | Low | 77.9 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -108.5 | 126.8 | 171.4 | 52 | 0 | 0 | 0 | 0 | 106.4 | S546 S550 | S546-T548 WeakPolarHBondContact CB-O 3.48Å; S546-T548 PolarHBondContact OG-O 2.66Å; T548-S550 PolarHBondContact O-N 2.94Å; T548-S550 PolarHBondContact O-OG 3.45Å; T548-S550 PolarHBondContact OG1-OG 2.8Å; T548-S550 VanDerWaalsContact OG1-OG 3.07Å |
| 549 | M | 58.5 | Low | 77.9 | Confident | 154 Ų | 154 | 53.4 Ų | 53.4 | 76% | 0.759 | 29% | 0.291 | S | S | * | . | trans | -65.3 | 51.9 | 174 | -84.4 | -84.8 | 149.3 | 0 | 0 | 112.6 | P580 | M549-P580 HydrophobicContact CE-CB 4.05Å; M549-P580 HydrophobicContact CE-CG 4.49Å; M549-P580 HydrophobicContact SD-CB 4.08Å; M549-P580 HydrophobicContact SD-CG 3.95Å | ||
| 550 | S | 68.8 | Low | 77.9 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 134.5 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | Q543 T548 | Q543-S550 PolarHBondContact NE2-O 2.92Å; T548-S550 PolarHBondContact O-N 2.94Å; T548-S550 PolarHBondContact O-OG 3.45Å; T548-S550 PolarHBondContact OG1-OG 2.8Å; T548-S550 VanDerWaalsContact OG1-OG 3.07Å |
| 551 | T | 74.3 | Confident | 77.9 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 148.7 | 174.4 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | T577 I578 Y579 | T551-T577 HydrophobicContact CG2-CG2 4.08Å; T551-I578 WeakPolarHBondContact CA-O 3.22Å; T551-Y579 HydrophobicContact CG2-CD1 3.41Å; T551-Y579 VanDerWaalsContact CG2-CD1 3.41Å; T551-Y579 HydrophobicContact CG2-CD2 4.45Å; T551-Y579 HydrophobicContact CG2-CE1 3.39Å; T551-Y579 HydrophobicContact CG2-CE2 4.45Å; T551-Y579 HydrophobicContact CG2-CG 3.98Å |
| 552 | L | 77.7 | Confident | 78 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -103.1 | 130.5 | 175.7 | -66.8 | 166.1 | 0 | 0 | 0 | 110.1 | Q521 I522 Q543 L555 T577 I578 | Q521-L552 HydrophobicContact CB-CD1 4.33Å; I522-L552 HydrophobicContact CD1-CD1 3.71Å; I522-L552 HydrophobicContact CG1-CD1 3.6Å; Q543-L552 HydrophobicContact CG-CD1 4.19Å; L552-L555 HydrophobicContact CB-CD1 4.27Å; L552-T577 WeakPolarHBondContact O-CA 3.41Å; L552-I578 HydrophobicContact CB-CB 4.26Å; L552-I578 PolarHBondContact N-O 3.21Å; L552-I578 PolarHBondContact O-N 3.13Å |
| 553 | N | 82.9 | Confident | 78.2 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | trans | -127.1 | 156.3 | -174.9 | -69.2 | -41.9 | 0 | 0 | 0 | 111.7 | T577 | N553-T577 WeakPolarHBondContact OD1-CB 3.18Å; N553-T577 WeakPolarHBondContact OD1-CG2 3.28Å; N553-T577 PolarHBondContact OD1-OG1 3.1Å | ||
| 554 | G | 84.3 | Confident | 78.6 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 76.3 | 25.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K609 | G554-K609 PolarHBondContact O-N 2.69Š|
| 555 | L | 88.2 | Confident | 79.4 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 147.7 | 177.5 | -62.9 | 173.7 | 0 | 0 | 0 | 111 | I522 L552 V575 I578 V606 I607 N608 I615 | I522-L555 HydrophobicContact CD1-CD1 3.62Å; L552-L555 HydrophobicContact CB-CD1 4.27Å; L555-V575 HydrophobicContact CB-CB 3.88Å; L555-V575 HydrophobicContact CB-CG1 4.26Å; L555-V575 HydrophobicContact CB-CG2 4.32Å; L555-V575 WeakPolarHBondContact O-CB 3.33Å; L555-V575 PolarHBondContact O-N 2.62Å; L555-I578 HydrophobicContact CD1-CD1 3.56Å; L555-I578 HydrophobicContact CD1-CG1 4.37Å; L555-V606 HydrophobicContact CB-CG1 4.19Å; L555-V606 HydrophobicContact CD2-CG1 4.16Å; L555-I607 CarbonylContact C-O 3.51Å; L555-I607 WeakPolarHBondContact CA-O 3.44Å; L555-N608 HydrophobicContact CD2-CB 4.5Å; L555-I615 HydrophobicContact CD2-CD1 3.35Å |
| 556 | Y | 90.9 | Very high | 80.9 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.2 | 173.3 | -69.6 | -99.4 | 0 | 0 | 0 | 109.7 | L572 I573 P574 V606 I607 K609 | Y556-L572 HydrophobicContact CD1-CD1 4.14Å; Y556-L572 HydrophobicContact CD1-CD2 4.28Å; Y556-L572 HydrophobicContact CD1-CG 4.06Å; Y556-L572 HydrophobicContact CG-CD1 4.37Å; Y556-I573 CarbonylContact C-O 3.59Å; Y556-I573 VanDerWaalsContact CA-O 3.32Å; Y556-I573 WeakPolarHBondContact CA-O 3.45Å; Y556-P574 HydrophobicContact CD1-CB 4.08Å; Y556-P574 HydrophobicContact CE1-CB 3.74Å; Y556-V606 CarbonylContact O-C 3.52Å; Y556-V606 WeakPolarHBondContact O-CA 3.37Å; Y556-I607 PolarHBondContact N-O 3.33Å; Y556-I607 PolarHBondContact O-N 3.06Å; Y556-K609 HydrophobicContact CD2-CB 4.45Å; Y556-K609 HydrophobicContact CE2-CB 3.99Å; Y556-K609 HydrophobicContact CE2-CD 4.32Å; Y556-K609 HydrophobicContact CE2-CG 4.2Å |
| 557 | I | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.9 | 167.8 | -57.7 | 163.8 | 0 | 0 | 0 | 107.3 | C539 I541 I559 L572 I573 V575 Y586 V604 F605 V606 | C539-I557 HydrophobicContact CB-CD1 3.89Å; I541-I557 HydrophobicContact CD1-CD1 3.74Å; I541-I557 HydrophobicContact CD1-CG1 3.84Å; I541-I557 HydrophobicContact CG1-CD1 4.5Å; I557-I559 HydrophobicContact CG2-CG1 4.37Å; I557-L572 CarbonylContact O-C 3.51Å; I557-L572 WeakPolarHBondContact O-CA 3.33Å; I557-I573 HydrophobicContact CB-CB 4.19Å; I557-I573 PolarHBondContact N-O 2.75Å; I557-I573 PolarHBondContact O-N 3.21Å; I557-V575 HydrophobicContact CD1-CG2 3.91Å; I557-V575 HydrophobicContact CG1-CG2 3.61Å; I557-Y586 HydrophobicContact CD1-CD2 3.62Å; I557-Y586 HydrophobicContact CD1-CE2 4.45Å; I557-Y586 HydrophobicContact CD1-CG 3.87Å; I557-V604 HydrophobicContact CG2-CG1 3.51Å; I557-F605 CarbonylContact C-O 3.58Å; I557-F605 WeakPolarHBondContact CA-O 3.48Å; I557-V606 HydrophobicContact CG1-CG2 4.47Å |
| 558 | L | 92.5 | Very high | 84.4 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.5 | 174.3 | 176.3 | 67.2 | 0 | 0 | 0 | 109.1 | L560 V571 L572 F605 I607 | L558-L560 HydrophobicContact CD1-CD2 4.47Å; L558-L560 HydrophobicContact CD2-CD2 4.16Å; L558-L560 HydrophobicContact CG-CD2 4.17Å; L558-V571 HydrophobicContact CD1-CG1 4.36Å; L558-L572 HydrophobicContact CB-CD1 4.24Å; L558-L572 HydrophobicContact CD1-CD1 4.15Å; L558-F605 HydrophobicContact CB-CB 4.46Å; L558-F605 PolarHBondContact N-O 3.3Å; L558-F605 PolarHBondContact O-N 3.46Å; L558-I607 HydrophobicContact CB-CD1 4.34Å |
| 559 | I | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.1 | 179.3 | -56 | 161.9 | 0 | 0 | 0 | 108.4 | L537 I557 F561 V568 V571 I573 I602 K603 V604 | L537-I559 HydrophobicContact CD2-CD1 3.55Å; L537-I559 HydrophobicContact CD2-CG1 3.87Å; L537-I559 HydrophobicContact CD2-CG2 4.12Å; I557-I559 HydrophobicContact CG2-CG1 4.37Å; I559-F561 HydrophobicContact CG2-CD1 4.32Å; I559-V568 HydrophobicContact CD1-CG1 4.12Å; I559-V568 HydrophobicContact CG2-CG1 4.14Å; I559-V571 PolarHBondContact N-O 3.14Å; I559-V571 WeakPolarHBondContact O-CG1 3.08Å; I559-I573 HydrophobicContact CD1-CD1 4.3Å; I559-I602 HydrophobicContact CG2-CG2 3.42Å; I559-I602 VanDerWaalsContact CG2-CG2 3.42Å; I559-K603 CarbonylContact C-O 3.27Å; I559-V604 HydrophobicContact CG1-CG2 4.5Å |
| 560 | L | 92 | Very high | 88 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 45% | 0.45 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.5 | 172.6 | -59.3 | -173.7 | 0 | 0 | 0 | 109.4 | L558 K603 F605 | L558-L560 HydrophobicContact CD1-CD2 4.47Å; L558-L560 HydrophobicContact CD2-CD2 4.16Å; L558-L560 HydrophobicContact CG-CD2 4.17Å; L560-K603 HydrophobicContact CB-CB 4.37Å; L560-K603 PolarHBondContact N-O 3.08Å; L560-K603 PolarHBondContact O-N 3.06Å; L560-F605 HydrophobicContact CB-CE2 4.28Å; L560-F605 HydrophobicContact CD1-CD2 4.14Å; L560-F605 HydrophobicContact CD1-CE2 3.54Å; L560-F605 HydrophobicContact CD1-CZ 4.34Å; L560-F605 HydrophobicContact CG-CD2 4.11Å; L560-F605 HydrophobicContact CG-CE2 3.83Å |
| 561 | F | 92.3 | Very high | 89.1 | Confident | 53 Ų | 53 | 48 Ų | 48 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | trans | -149.4 | 162 | -175.4 | 60 | -81.6 | 0 | 0 | 0 | 109.6 | I559 A563 Y566 V568 V571 I602 | I559-F561 HydrophobicContact CG2-CD1 4.32Å; F561-A563 HydrophobicContact CE2-CB 4.18Å; F561-A563 PolarHBondContact O-N 3.3Å; F561-Y566 VanDerWaalsContact CD2-O 3.28Å; F561-Y566 WeakPolarHBondContact CD2-O 3.44Å; F561-Y566 WeakPolarHBondContact CE2-O 3.4Å; F561-V568 HydrophobicContact CB-CG2 4.1Å; F561-V568 HydrophobicContact CD1-CB 3.77Å; F561-V568 HydrophobicContact CD1-CG2 3.5Å; F561-V568 HydrophobicContact CD2-CB 4.41Å; F561-V568 HydrophobicContact CD2-CG2 3.66Å; F561-V568 HydrophobicContact CE1-CB 3.55Å; F561-V568 HydrophobicContact CE1-CG1 4.46Å; F561-V568 HydrophobicContact CE1-CG2 3.77Å; F561-V568 HydrophobicContact CE2-CB 4.19Å; F561-V568 HydrophobicContact CE2-CG2 3.89Å; F561-V568 HydrophobicContact CG-CB 4.21Å; F561-V568 HydrophobicContact CG-CG2 3.46Å; F561-V568 VanDerWaalsContact CG-CG2 3.46Å; F561-V568 HydrophobicContact CZ-CB 3.75Å; F561-V568 HydrophobicContact CZ-CG2 3.94Å; F561-V571 HydrophobicContact CE1-CB 4.48Å; F561-V571 HydrophobicContact CE1-CG1 4Å; F561-V571 HydrophobicContact CE1-CG2 3.69Å; F561-V571 HydrophobicContact CZ-CG2 4.03Å; F561-I602 HydrophobicContact CB-CD1 4.22Å; F561-I602 HydrophobicContact CB-CG1 3.96Å | ||
| 562 | N | 90 | Very high | 90.1 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -77.1 | 105.1 | 172.8 | -172.8 | -10 | 0 | 0 | 0 | 109.9 | S564 V565 Y566 E600 | N562-S564 PolarHBondContact O-N 3.22Å; N562-S564 WeakPolarHBondContact OD1-CB 3.38Å; N562-S564 PolarHBondContact OD1-N 2.73Å; N562-S564 VanDerWaalsContact OD1-N 3.16Å; N562-V565 HydrophobicContact CB-CB 4.38Å; N562-V565 HydrophobicContact CB-CG2 4.23Å; N562-V565 PolarHBondContact O-N 3.01Å; N562-Y566 PolarHBondContact O-N 2.94Å; N562-E600 PolarHBondContact ND2-OE1 2.9Å | ||
| 563 | A | 88.9 | Confident | 90.8 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F561 V565 | F561-A563 HydrophobicContact CE2-CB 4.18Å; F561-A563 PolarHBondContact O-N 3.3Å; A563-V565 VanDerWaalsContact C-N 3.31Å |
| 564 | S | 87.3 | Confident | 91.3 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 65% | 0.65 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -19.3 | 171.5 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | N562 H594 | N562-S564 PolarHBondContact O-N 3.22Å; N562-S564 WeakPolarHBondContact OD1-CB 3.38Å; N562-S564 PolarHBondContact OD1-N 2.73Å; N562-S564 VanDerWaalsContact OD1-N 3.16Å; S564-H594 WeakPolarHBondContact O-CB 3.48Å |
| 565 | V | 87.3 | Confident | 91.6 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -44.6 | -174.2 | -178 | 0 | 0 | 0 | 0 | 111.3 | N562 A563 L592 I593 H594 T596 E600 | N562-V565 HydrophobicContact CB-CB 4.38Å; N562-V565 HydrophobicContact CB-CG2 4.23Å; N562-V565 PolarHBondContact O-N 3.01Å; A563-V565 VanDerWaalsContact C-N 3.31Å; V565-L592 HydrophobicContact CG1-CD1 3.78Å; V565-I593 PolarHBondContact O-N 3.07Å; V565-H594 PolarHBondContact O-N 3.34Å; V565-T596 HydrophobicContact CB-CG2 4.38Å; V565-T596 HydrophobicContact CG1-CG2 3.79Å; V565-T596 HydrophobicContact CG2-CG2 3.63Å; V565-E600 HydrophobicContact CG1-CG 4.33Å; V565-E600 HydrophobicContact CG2-CG 4.39Å |
| 566 | Y | 90.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147 | -175.6 | -63.6 | -72.5 | 0 | 0 | 0 | 111.9 | F535 F561 N562 I590 T591 L592 E600 I602 M622 | F535-Y566 HydrophobicContact CD2-CE1 4.5Å; F535-Y566 HydrophobicContact CE2-CE1 4.17Å; F561-Y566 VanDerWaalsContact CD2-O 3.28Å; F561-Y566 WeakPolarHBondContact CD2-O 3.44Å; F561-Y566 WeakPolarHBondContact CE2-O 3.4Å; N562-Y566 PolarHBondContact O-N 2.94Å; Y566-I590 HydrophobicContact CD1-CG2 3.56Å; Y566-I590 HydrophobicContact CE1-CG2 4.35Å; Y566-I590 HydrophobicContact CG-CG2 3.94Å; Y566-T591 CarbonylContact C-O 3.5Å; Y566-T591 WeakPolarHBondContact CA-O 3.43Å; Y566-L592 HydrophobicContact CD1-CB 4.33Å; Y566-L592 HydrophobicContact CD1-CD1 3.86Å; Y566-L592 HydrophobicContact CE1-CB 4.2Å; Y566-L592 HydrophobicContact CE1-CD1 3.33Å; Y566-L592 HydrophobicContact CE1-CG 4.37Å; Y566-E600 HydrophobicContact CE2-CB 3.75Å; Y566-E600 HydrophobicContact CE2-CG 4.46Å; Y566-I602 HydrophobicContact CD2-CD1 4.48Å; Y566-M622 HydrophobicContact CD1-CE 4.1Å; Y566-M622 HydrophobicContact CE1-CE 3.67Å; Y566-M622 HydrophobicContact CE2-CB 4.24Å; Y566-M622 HydrophobicContact CE2-CG 3.98Å; Y566-M622 VanDerWaalsContact OH-CB 3.22Å; Y566-M622 WeakPolarHBondContact OH-CB 3.3Å |
| 567 | H | 92.6 | Very high | 91.4 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.3 | 161.7 | -173.5 | -93.4 | 0 | 0 | 0 | 108.7 | I590 T591 I593 | H567-I590 CarbonylContact O-C 3.49Å; H567-I590 WeakPolarHBondContact O-CA 3.42Å; H567-T591 PolarHBondContact N-O 2.84Å; H567-T591 PolarHBondContact O-N 2.78Å; H567-I593 HydrophobicContact CB-CD1 3.89Å; H567-I593 HydrophobicContact CB-CG1 4.03Å |
| 568 | V | 93.4 | Very high | 91 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.6 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 110 | I559 F561 V571 S588 S589 I590 I602 | I559-V568 HydrophobicContact CD1-CG1 4.12Å; I559-V568 HydrophobicContact CG2-CG1 4.14Å; F561-V568 HydrophobicContact CB-CG2 4.1Å; F561-V568 HydrophobicContact CD1-CB 3.77Å; F561-V568 HydrophobicContact CD1-CG2 3.5Å; F561-V568 HydrophobicContact CD2-CB 4.41Å; F561-V568 HydrophobicContact CD2-CG2 3.66Å; F561-V568 HydrophobicContact CE1-CB 3.55Å; F561-V568 HydrophobicContact CE1-CG1 4.46Å; F561-V568 HydrophobicContact CE1-CG2 3.77Å; F561-V568 HydrophobicContact CE2-CB 4.19Å; F561-V568 HydrophobicContact CE2-CG2 3.89Å; F561-V568 HydrophobicContact CG-CB 4.21Å; F561-V568 HydrophobicContact CG-CG2 3.46Å; F561-V568 VanDerWaalsContact CG-CG2 3.46Å; F561-V568 HydrophobicContact CZ-CB 3.75Å; F561-V568 HydrophobicContact CZ-CG2 3.94Å; V568-V571 WeakPolarHBondContact O-CG2 3.38Å; V568-S588 WeakPolarHBondContact CG1-OG 3.4Å; V568-S589 WeakPolarHBondContact CA-O 3.39Å; V568-I590 HydrophobicContact CG1-CG1 4.11Å; V568-I590 HydrophobicContact CG2-CB 4.36Å; V568-I590 HydrophobicContact CG2-CG1 3.92Å; V568-I590 HydrophobicContact CG2-CG2 4.03Å; V568-I602 HydrophobicContact CG2-CD1 4.49Å |
| 569 | N | 93 | Very high | 90.5 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146 | 127.4 | 175.9 | -172.7 | 37.8 | 0 | 0 | 0 | 111.9 | S588 S589 | N569-S588 PolarHBondContact O-OG 3.11Å; N569-S588 VanDerWaalsContact O-OG 3.11Å; N569-S589 PolarHBondContact N-O 2.99Å; N569-S589 PolarHBondContact O-N 3.42Å |
| 570 | P | 94.5 | Very high | 89.7 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | cis | -77.8 | 142.7 | -6.5 | 32.4 | -37.1 | 0 | 0 | 0 | 114.1 | I573 S588 | P570-I573 HydrophobicContact CB-CG1 4.36Å; P570-I573 HydrophobicContact CG-CD1 4.23Å; P570-I573 HydrophobicContact CG-CG1 3.67Å; P570-S588 PolarHBondContact O-OG 2.9Å; P570-S588 VanDerWaalsContact O-OG 3.04Å | ||
| 571 | V | 93.3 | Very high | 88.7 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -75.6 | -32.1 | 176.3 | -177 | 0 | 0 | 0 | 0 | 112.8 | L558 I559 F561 V568 | L558-V571 HydrophobicContact CD1-CG1 4.36Å; I559-V571 PolarHBondContact N-O 3.14Å; I559-V571 WeakPolarHBondContact O-CG1 3.08Å; F561-V571 HydrophobicContact CE1-CB 4.48Å; F561-V571 HydrophobicContact CE1-CG1 4Å; F561-V571 HydrophobicContact CE1-CG2 3.69Å; F561-V571 HydrophobicContact CZ-CG2 4.03Å; V568-V571 WeakPolarHBondContact O-CG2 3.38Å |
| 572 | L | 93.5 | Very high | 88.1 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 47% | 0.466 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.8 | -179.8 | -177.1 | 72.4 | 0 | 0 | 0 | 109.4 | Y556 I557 L558 | Y556-L572 HydrophobicContact CD1-CD1 4.14Å; Y556-L572 HydrophobicContact CD1-CD2 4.28Å; Y556-L572 HydrophobicContact CD1-CG 4.06Å; Y556-L572 HydrophobicContact CG-CD1 4.37Å; I557-L572 CarbonylContact O-C 3.51Å; I557-L572 WeakPolarHBondContact O-CA 3.33Å; L558-L572 HydrophobicContact CB-CD1 4.24Å; L558-L572 HydrophobicContact CD1-CD1 4.15Å |
| 573 | I | 93.9 | Very high | 87.8 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.1 | -176.6 | -58 | 164.2 | 0 | 0 | 0 | 109.5 | Y556 I557 I559 P570 V575 Y586 | Y556-I573 CarbonylContact C-O 3.59Å; Y556-I573 VanDerWaalsContact CA-O 3.32Å; Y556-I573 WeakPolarHBondContact CA-O 3.45Å; I557-I573 HydrophobicContact CB-CB 4.19Å; I557-I573 PolarHBondContact N-O 2.75Å; I557-I573 PolarHBondContact O-N 3.21Å; I559-I573 HydrophobicContact CD1-CD1 4.3Å; P570-I573 HydrophobicContact CB-CG1 4.36Å; P570-I573 HydrophobicContact CG-CD1 4.23Å; P570-I573 HydrophobicContact CG-CG1 3.67Å; I573-V575 PolarHBondContact O-N 3.02Å; I573-Y586 HydrophobicContact CG2-CD1 3.52Å; I573-Y586 HydrophobicContact CG2-CE1 4.2Å; I573-Y586 HydrophobicContact CG2-CG 4.01Å |
| 574 | P | 92.8 | Very high | 87.9 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.3 | 170.9 | 27.7 | -31.6 | 0 | 0 | 0 | 110.2 | Y556 | Y556-P574 HydrophobicContact CD1-CB 4.08Å; Y556-P574 HydrophobicContact CE1-CB 3.74Å |
| 575 | V | 90.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 132.1 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | I541 L555 I557 I573 I578 Y586 | I541-V575 HydrophobicContact CD1-CG1 4.21Å; I541-V575 HydrophobicContact CD1-CG2 3.96Å; L555-V575 HydrophobicContact CB-CB 3.88Å; L555-V575 HydrophobicContact CB-CG1 4.26Å; L555-V575 HydrophobicContact CB-CG2 4.32Å; L555-V575 WeakPolarHBondContact O-CB 3.33Å; L555-V575 PolarHBondContact O-N 2.62Å; I557-V575 HydrophobicContact CD1-CG2 3.91Å; I557-V575 HydrophobicContact CG1-CG2 3.61Å; I573-V575 PolarHBondContact O-N 3.02Å; V575-I578 HydrophobicContact CG1-CD1 3.91Å; V575-I578 HydrophobicContact CG1-CG1 3.96Å; V575-Y586 HydrophobicContact CB-CE2 4.37Å; V575-Y586 HydrophobicContact CG1-CE2 3.83Å; V575-Y586 HydrophobicContact CG2-CE2 4.18Å |
| 576 | A | 88.5 | Confident | 88.6 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 163 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I578 Y586 | A576-I578 WeakPolarHBondContact O-CG1 3.47Å; A576-I578 PolarHBondContact O-N 3.47Å; A576-I578 VanDerWaalsContact O-N 3.09Å; A576-Y586 PolarHBondContact N-OH 3.41Å |
| 577 | T | 86.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 119.1 | 172.5 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | T551 L552 N553 Y579 Y584 | T551-T577 HydrophobicContact CG2-CG2 4.08Å; L552-T577 WeakPolarHBondContact O-CA 3.41Å; N553-T577 WeakPolarHBondContact OD1-CB 3.18Å; N553-T577 WeakPolarHBondContact OD1-CG2 3.28Å; N553-T577 PolarHBondContact OD1-OG1 3.1Å; T577-Y579 HydrophobicContact CG2-CD2 4.32Å; T577-Y579 HydrophobicContact CG2-CE2 3.86Å; T577-Y584 PolarHBondContact O-OH 2.94Å; T577-Y584 VanDerWaalsContact O-OH 3.12Å |
| 578 | I | 83.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -87.5 | 121 | -178.9 | -54.9 | -178.2 | 0 | 0 | 0 | 108.5 | I541 Q543 T551 L552 L555 V575 A576 Y584 | I541-I578 HydrophobicContact CB-CD1 4.43Å; I541-I578 HydrophobicContact CG2-CD1 3.53Å; Q543-I578 HydrophobicContact CB-CG2 3.9Å; T551-I578 WeakPolarHBondContact CA-O 3.22Å; L552-I578 HydrophobicContact CB-CB 4.26Å; L552-I578 PolarHBondContact N-O 3.21Å; L552-I578 PolarHBondContact O-N 3.13Å; L555-I578 HydrophobicContact CD1-CD1 3.56Å; L555-I578 HydrophobicContact CD1-CG1 4.37Å; V575-I578 HydrophobicContact CG1-CD1 3.91Å; V575-I578 HydrophobicContact CG1-CG1 3.96Å; A576-I578 WeakPolarHBondContact O-CG1 3.47Å; A576-I578 PolarHBondContact O-N 3.47Å; A576-I578 VanDerWaalsContact O-N 3.09Å; I578-Y584 HydrophobicContact CB-CD2 4.48Å; I578-Y584 HydrophobicContact CB-CE2 4.11Å; I578-Y584 HydrophobicContact CG1-CD2 4.32Å; I578-Y584 HydrophobicContact CG1-CE2 4.38Å; I578-Y584 HydrophobicContact CG2-CD2 4Å; I578-Y584 HydrophobicContact CG2-CE2 3.67Å |
| 579 | Y | 80.9 | Confident | 88.9 | Confident | 126 Ų | 126 | 66 Ų | 66 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 146.4 | 170.5 | -71.9 | -96 | 0 | 0 | 0 | 110.5 | T551 T577 C581 F582 Y584 | T551-Y579 HydrophobicContact CG2-CD1 3.41Å; T551-Y579 VanDerWaalsContact CG2-CD1 3.41Å; T551-Y579 HydrophobicContact CG2-CD2 4.45Å; T551-Y579 HydrophobicContact CG2-CE1 3.39Å; T551-Y579 HydrophobicContact CG2-CE2 4.45Å; T551-Y579 HydrophobicContact CG2-CG 3.98Å; T577-Y579 HydrophobicContact CG2-CD2 4.32Å; T577-Y579 HydrophobicContact CG2-CE2 3.86Å; Y579-C581 PolarHBondContact O-N 2.75Å; Y579-F582 PolarHBondContact O-N 3.48Å; Y579-Y584 WeakPolarHBondContact CD2-OH 3.48Å; Y579-Y584 PolarHBondContact N-OH 2.87Å |
| 580 | P | 77.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 61 Ų | 61 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 139.8 | 176.8 | -26.4 | 34.7 | 0 | 0 | 0 | 112.5 | M549 F582 | M549-P580 HydrophobicContact CE-CB 4.05Å; M549-P580 HydrophobicContact CE-CG 4.49Å; M549-P580 HydrophobicContact SD-CB 4.08Å; M549-P580 HydrophobicContact SD-CG 3.95Å; P580-F582 VanDerWaalsContact O-CD2 3.31Å; P580-F582 WeakPolarHBondContact O-CD2 3.29Å; P580-F582 PolarHBondContact O-N 3.26Å; P580-F582 VanDerWaalsContact O-N 3.13Å |
| 581 | C | 71.9 | Confident | 88.7 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 73% | 0.73 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 4.3 | 177.6 | -53.9 | 0 | 0 | 0 | 0 | 116.6 | Y579 | Y579-C581 PolarHBondContact O-N 2.75Š|
| 582 | F | 79.8 | Confident | 88.4 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | trans | -93 | 147.4 | 171.9 | -74.3 | -89.1 | 0 | 0 | 0 | 111.8 | Y579 P580 Y584 | Y579-F582 PolarHBondContact O-N 3.48Å; P580-F582 VanDerWaalsContact O-CD2 3.31Å; P580-F582 WeakPolarHBondContact O-CD2 3.29Å; P580-F582 PolarHBondContact O-N 3.26Å; P580-F582 VanDerWaalsContact O-N 3.13Å; F582-Y584 HydrophobicContact CB-CD2 4.42Å; F582-Y584 HydrophobicContact CB-CE2 3.59Å | ||
| 583 | K | 84.2 | Confident | 88 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 53% | 0.53 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.1 | 176.1 | -177.7 | 178.3 | -178.7 | -174.1 | 0 | 109.5 | E540 V542 | E540-K583 WeakPolarHBondContact OE1-CE 3.41Å; E540-K583 IonicContact OE1-NZ 3.17Å; E540-K583 PolarHBondContact OE1-NZ 2.91Å; E540-K583 WeakPolarHBondContact OE2-CE 3.37Å; E540-K583 IonicContact OE2-NZ 2.85Å; E540-K583 PolarHBondContact OE2-NZ 3.41Å; V542-K583 HydrophobicContact CG2-CB 3.93Å; V542-K583 HydrophobicContact CG2-CD 4.44Å; V542-K583 HydrophobicContact CG2-CG 3.78Å |
| 584 | Y | 90.7 | Very high | 87.2 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.3 | 178.5 | -63.5 | -97.5 | 0 | 0 | 0 | 109.1 | E540 I541 T577 I578 Y579 F582 | E540-Y584 CarbonylContact C-O 3.48Å; E540-Y584 VanDerWaalsContact CA-O 3.25Å; E540-Y584 WeakPolarHBondContact CA-O 3.45Å; I541-Y584 PolarHBondContact N-O 3.47Å; I541-Y584 PolarHBondContact O-N 3.44Å; T577-Y584 PolarHBondContact O-OH 2.94Å; T577-Y584 VanDerWaalsContact O-OH 3.12Å; I578-Y584 HydrophobicContact CB-CD2 4.48Å; I578-Y584 HydrophobicContact CB-CE2 4.11Å; I578-Y584 HydrophobicContact CG1-CD2 4.32Å; I578-Y584 HydrophobicContact CG1-CE2 4.38Å; I578-Y584 HydrophobicContact CG2-CD2 4Å; I578-Y584 HydrophobicContact CG2-CE2 3.67Å; Y579-Y584 WeakPolarHBondContact CD2-OH 3.48Å; Y579-Y584 PolarHBondContact N-OH 2.87Å; F582-Y584 HydrophobicContact CB-CD2 4.42Å; F582-Y584 HydrophobicContact CB-CE2 3.59Å |
| 585 | R | 94.1 | Very high | 86.3 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.1 | -177.8 | -177.8 | 177.2 | 173.1 | 116.1 | -8.9 | 109.6 | I538 C539 E540 | I538-R585 HydrophobicContact CG2-CG 3.91Å; I538-R585 VanDerWaalsContact CG2-CZ 3.41Å; C539-R585 WeakPolarHBondContact O-CA 3.11Å; E540-R585 HydrophobicContact CG-CB 4.46Å; E540-R585 HydrophobicContact CG-CG 4.24Å; E540-R585 IonicContact OE1-NH1 3.89Å; E540-R585 PolarHBondContact OE1-NH1 2.97Å |
| 586 | Y | 94.8 | Very high | 85.3 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.7 | 177 | -63 | -80.6 | 0 | 0 | 0 | 109.6 | I538 C539 I557 I573 V575 A576 | I538-Y586 WeakPolarHBondContact CA-O 3.41Å; C539-Y586 PolarHBondContact N-O 2.89Å; C539-Y586 PolarHBondContact O-N 3.02Å; I557-Y586 HydrophobicContact CD1-CD2 3.62Å; I557-Y586 HydrophobicContact CD1-CE2 4.45Å; I557-Y586 HydrophobicContact CD1-CG 3.87Å; I573-Y586 HydrophobicContact CG2-CD1 3.52Å; I573-Y586 HydrophobicContact CG2-CE1 4.2Å; I573-Y586 HydrophobicContact CG2-CG 4.01Å; V575-Y586 HydrophobicContact CB-CE2 4.37Å; V575-Y586 HydrophobicContact CG1-CE2 3.83Å; V575-Y586 HydrophobicContact CG2-CE2 4.18Å; A576-Y586 PolarHBondContact N-OH 3.41Å |
| 587 | T | 94.9 | Very high | 84 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.7 | -177.8 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | T536 L537 I538 | T536-T587 HydrophobicContact CG2-CG2 4.34Å; L537-T587 CarbonylContact O-C 3.56Å; L537-T587 WeakPolarHBondContact O-CA 3.32Å; I538-T587 HydrophobicContact CG1-CG2 3.91Å |
| 588 | S | 93.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.1 | 169 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | L537 V568 N569 P570 | L537-S588 PolarHBondContact N-O 2.93Å; L537-S588 PolarHBondContact O-N 2.87Å; V568-S588 WeakPolarHBondContact CG1-OG 3.4Å; N569-S588 PolarHBondContact O-OG 3.11Å; N569-S588 VanDerWaalsContact O-OG 3.11Å; P570-S588 PolarHBondContact O-OG 2.9Å; P570-S588 VanDerWaalsContact O-OG 3.04Å |
| 589 | S | 93.4 | Very high | 82.6 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 51% | 0.51 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 137.8 | 172.1 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | V568 N569 | V568-S589 WeakPolarHBondContact CA-O 3.39Å; N569-S589 PolarHBondContact N-O 2.99Å; N569-S589 PolarHBondContact O-N 3.42Å |
| 590 | I | 93.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.5 | 175.1 | -55.5 | 165.6 | 0 | 0 | 0 | 107.4 | E534 F535 L537 Y566 H567 V568 I602 M622 | E534-I590 CarbonylContact C-O 3.58Å; F535-I590 HydrophobicContact CB-CB 4.17Å; F535-I590 HydrophobicContact CD2-CG2 4.47Å; F535-I590 PolarHBondContact N-O 2.99Å; F535-I590 PolarHBondContact O-N 2.83Å; L537-I590 HydrophobicContact CB-CD1 3.68Å; L537-I590 HydrophobicContact CB-CG1 4.26Å; L537-I590 HydrophobicContact CD1-CD1 4.38Å; L537-I590 HydrophobicContact CG-CD1 4.45Å; Y566-I590 HydrophobicContact CD1-CG2 3.56Å; Y566-I590 HydrophobicContact CE1-CG2 4.35Å; Y566-I590 HydrophobicContact CG-CG2 3.94Å; H567-I590 CarbonylContact O-C 3.49Å; H567-I590 WeakPolarHBondContact O-CA 3.42Å; V568-I590 HydrophobicContact CG1-CG1 4.11Å; V568-I590 HydrophobicContact CG2-CB 4.36Å; V568-I590 HydrophobicContact CG2-CG1 3.92Å; V568-I590 HydrophobicContact CG2-CG2 4.03Å; I590-I602 HydrophobicContact CD1-CD1 3.55Å; I590-I602 HydrophobicContact CG1-CD1 4.3Å; I590-I602 HydrophobicContact CG2-CD1 4.22Å; I590-M622 HydrophobicContact CB-CE 4.28Å; I590-M622 HydrophobicContact CD1-CE 3.75Å; I590-M622 HydrophobicContact CD1-SD 4.11Å; I590-M622 HydrophobicContact CG2-CE 3.64Å |
| 591 | T | 89.7 | Confident | 83.2 | Confident | 49 Ų | 49 | 82.5 Ų | 82.5 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.4 | 176.9 | -48.4 | 0 | 0 | 0 | 0 | 108.8 | P533 E534 Y566 H567 I593 | P533-T591 CarbonylContact O-C 3.59Å; P533-T591 WeakPolarHBondContact O-CA 3.14Å; E534-T591 HydrophobicContact CG-CG2 4.34Å; Y566-T591 CarbonylContact C-O 3.5Å; Y566-T591 WeakPolarHBondContact CA-O 3.43Å; H567-T591 PolarHBondContact N-O 2.84Å; H567-T591 PolarHBondContact O-N 2.78Å; T591-I593 PolarHBondContact O-N 3.3Å |
| 592 | L | 86.5 | Confident | 84 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.4 | 172.7 | -174.5 | 73.7 | 0 | 0 | 0 | 109.1 | P533 F535 V565 Y566 H594 E595 | P533-L592 HydrophobicContact CB-CB 4.15Å; P533-L592 WeakPolarHBondContact O-CB 3.34Å; P533-L592 PolarHBondContact O-N 2.86Å; F535-L592 HydrophobicContact CE2-CB 4.4Å; V565-L592 HydrophobicContact CG1-CD1 3.78Å; Y566-L592 HydrophobicContact CD1-CB 4.33Å; Y566-L592 HydrophobicContact CD1-CD1 3.86Å; Y566-L592 HydrophobicContact CE1-CB 4.2Å; Y566-L592 HydrophobicContact CE1-CD1 3.33Å; Y566-L592 HydrophobicContact CE1-CG 4.37Å; L592-H594 WeakPolarHBondContact CD1-O 3.34Å; L592-E595 HydrophobicContact CD2-CG 4.2Å |
| 593 | I | 85.1 | Confident | 84.5 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 55% | 0.549 | 37% | 0.373 | S | S | . | . | trans | -94.3 | -39.2 | 177.4 | -50 | 164.6 | 0 | 0 | 0 | 110 | V565 H567 T591 | V565-I593 PolarHBondContact O-N 3.07Å; H567-I593 HydrophobicContact CB-CD1 3.89Å; H567-I593 HydrophobicContact CB-CG1 4.03Å; T591-I593 PolarHBondContact O-N 3.3Å | ||
| 594 | H | 79 | Confident | 84.8 | Confident | 126 Ų | 126 | 70 Ų | 70 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -135.1 | 125 | -174.5 | -153.1 | -58.9 | 0 | 0 | 0 | 110.2 | S564 V565 L592 | S564-H594 WeakPolarHBondContact O-CB 3.48Å; V565-H594 PolarHBondContact O-N 3.34Å; L592-H594 WeakPolarHBondContact CD1-O 3.34Å |
| 595 | E | 72.4 | Confident | 84.6 | Confident | 128 Ų | 128 | 69.5 Ų | 69.5 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | trans | -62.7 | 139.5 | 174.3 | -72.1 | -175.1 | 168.2 | 0 | 0 | 110.8 | L592 | L592-E595 HydrophobicContact CD2-CG 4.2Š| ||
| 596 | T | 69.5 | Low | 84.3 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -129.1 | 143.1 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | V565 | V565-T596 HydrophobicContact CB-CG2 4.38Å; V565-T596 HydrophobicContact CG1-CG2 3.79Å; V565-T596 HydrophobicContact CG2-CG2 3.63Å | ||
| 597 | I | 62.8 | Low | 83.9 | Confident | 163 Ų | 163 | 63.4 Ų | 63.4 | 84% | 0.836 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -78.6 | -26.6 | 179.1 | -60.1 | 165.3 | 0 | 0 | 0 | 110.9 | ||
| 598 | N | 69.2 | Low | 83.4 | Confident | 127 Ų | 127 | 60.4 Ų | 60.4 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -98.3 | 146.2 | -177.2 | -65.7 | -18.9 | 0 | 0 | 0 | 110.9 | E600 | N598-E600 PolarHBondContact O-N 3.15Å; N598-E600 VanDerWaalsContact O-N 3.11Å |
| 599 | E | 71.8 | Confident | 82.6 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | trans | -60.8 | 112.1 | 168 | -67 | 179.7 | 172.3 | 0 | 0 | 109.9 | K621 | E599-K621 IonicContact OE2-NZ 2.69Å; E599-K621 PolarHBondContact OE2-NZ 3.04Å | ||
| 600 | E | 83.1 | Confident | 81.6 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | trans | -82.8 | 157.2 | 171.2 | -83.2 | -79.3 | -167.2 | 0 | 0 | 111 | N562 V565 Y566 N598 M622 | N562-E600 PolarHBondContact ND2-OE1 2.9Å; V565-E600 HydrophobicContact CG1-CG 4.33Å; V565-E600 HydrophobicContact CG2-CG 4.39Å; Y566-E600 HydrophobicContact CE2-CB 3.75Å; Y566-E600 HydrophobicContact CE2-CG 4.46Å; N598-E600 PolarHBondContact O-N 3.15Å; N598-E600 VanDerWaalsContact O-N 3.11Å; E600-M622 PolarHBondContact O-N 3.06Å | ||
| 601 | E | 85.9 | Confident | 80.6 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.5 | -177 | -170.5 | -177.8 | -132.4 | 0 | 0 | 111 | K603 S619 V620 | E601-K603 VanDerWaalsContact OE2-CE 3.23Å; E601-K603 WeakPolarHBondContact OE2-CE 3.18Å; E601-S619 WeakPolarHBondContact OE1-CB 3.36Å; E601-S619 PolarHBondContact OE1-OG 3.11Å; E601-V620 WeakPolarHBondContact CA-O 3.43Å |
| 602 | I | 89.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131 | 170.5 | -65.7 | -175.3 | 0 | 0 | 0 | 108.9 | I559 F561 Y566 V568 I590 V604 S619 V620 M622 | I559-I602 HydrophobicContact CG2-CG2 3.42Å; I559-I602 VanDerWaalsContact CG2-CG2 3.42Å; F561-I602 HydrophobicContact CB-CD1 4.22Å; F561-I602 HydrophobicContact CB-CG1 3.96Å; Y566-I602 HydrophobicContact CD2-CD1 4.48Å; V568-I602 HydrophobicContact CG2-CD1 4.49Å; I590-I602 HydrophobicContact CD1-CD1 3.55Å; I590-I602 HydrophobicContact CG1-CD1 4.3Å; I590-I602 HydrophobicContact CG2-CD1 4.22Å; I602-V604 HydrophobicContact CG2-CG2 4.48Å; I602-S619 WeakPolarHBondContact O-CA 3.48Å; I602-V620 PolarHBondContact N-O 2.78Å; I602-V620 PolarHBondContact O-N 3.34Å; I602-M622 HydrophobicContact CD1-CE 3.77Å; I602-M622 HydrophobicContact CD1-CG 3.79Å; I602-M622 HydrophobicContact CD1-SD 3.51Å; I602-M622 VanDerWaalsContact CD1-SD 3.51Å; I602-M622 HydrophobicContact CG1-CG 3.77Å; I602-M622 HydrophobicContact CG1-SD 4.05Å |
| 603 | K | 90 | Very high | 78.7 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126 | 179.9 | -62.1 | -178.1 | -178.4 | -179.3 | 0 | 110.4 | I559 L560 E601 F605 | I559-K603 CarbonylContact C-O 3.27Å; L560-K603 HydrophobicContact CB-CB 4.37Å; L560-K603 PolarHBondContact N-O 3.08Å; L560-K603 PolarHBondContact O-N 3.06Å; E601-K603 VanDerWaalsContact OE2-CE 3.23Å; E601-K603 WeakPolarHBondContact OE2-CE 3.18Å; K603-F605 HydrophobicContact CB-CD2 4.46Å; K603-F605 HydrophobicContact CB-CE2 3.52Å; K603-F605 HydrophobicContact CB-CZ 3.87Å; K603-F605 HydrophobicContact CD-CZ 4.32Å |
| 604 | V | 90.4 | Very high | 78.3 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L524 V526 L537 I557 I559 I602 S617 S618 | L524-V604 HydrophobicContact CD2-CG1 4.14Å; V526-V604 HydrophobicContact CG1-CG2 3.9Å; V526-V604 HydrophobicContact CG2-CB 4.17Å; V526-V604 HydrophobicContact CG2-CG1 4.23Å; V526-V604 HydrophobicContact CG2-CG2 4.38Å; L537-V604 HydrophobicContact CD2-CG2 3.9Å; I557-V604 HydrophobicContact CG2-CG1 3.51Å; I559-V604 HydrophobicContact CG1-CG2 4.5Å; I602-V604 HydrophobicContact CG2-CG2 4.48Å; V604-S617 CarbonylContact O-C 3.53Å; V604-S617 WeakPolarHBondContact O-CA 3.21Å; V604-S618 PolarHBondContact N-O 3.33Å; V604-S618 PolarHBondContact O-N 2.94Å |
| 605 | F | 87.8 | Confident | 78.2 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.3 | 179.8 | -59.7 | -86.2 | 0 | 0 | 0 | 110.1 | I557 L558 L560 K603 I607 P614 I616 | I557-F605 CarbonylContact C-O 3.58Å; I557-F605 WeakPolarHBondContact CA-O 3.48Å; L558-F605 HydrophobicContact CB-CB 4.46Å; L558-F605 PolarHBondContact N-O 3.3Å; L558-F605 PolarHBondContact O-N 3.46Å; L560-F605 HydrophobicContact CB-CE2 4.28Å; L560-F605 HydrophobicContact CD1-CD2 4.14Å; L560-F605 HydrophobicContact CD1-CE2 3.54Å; L560-F605 HydrophobicContact CD1-CZ 4.34Å; L560-F605 HydrophobicContact CG-CD2 4.11Å; L560-F605 HydrophobicContact CG-CE2 3.83Å; K603-F605 HydrophobicContact CB-CD2 4.46Å; K603-F605 HydrophobicContact CB-CE2 3.52Å; K603-F605 HydrophobicContact CB-CZ 3.87Å; K603-F605 HydrophobicContact CD-CZ 4.32Å; F605-I607 HydrophobicContact CB-CG2 4.3Å; F605-P614 HydrophobicContact CB-CB 4.27Å; F605-P614 HydrophobicContact CD1-CB 3.62Å; F605-P614 HydrophobicContact CD1-CG 4.09Å; F605-P614 HydrophobicContact CE1-CB 4.47Å; F605-P614 HydrophobicContact CE1-CG 4.49Å; F605-P614 HydrophobicContact CG-CB 4.37Å; F605-I616 WeakPolarHBondContact CA-O 3.49Å |
| 606 | V | 87.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.3 | 161.2 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | L524 I541 L555 Y556 I557 I615 I616 | L524-V606 HydrophobicContact CD1-CG2 4.14Å; L524-V606 HydrophobicContact CD2-CG2 4.16Å; I541-V606 HydrophobicContact CD1-CG2 4.07Å; L555-V606 HydrophobicContact CB-CG1 4.19Å; L555-V606 HydrophobicContact CD2-CG1 4.16Å; Y556-V606 CarbonylContact O-C 3.52Å; Y556-V606 WeakPolarHBondContact O-CA 3.37Å; I557-V606 HydrophobicContact CG1-CG2 4.47Å; V606-I615 WeakPolarHBondContact O-CB 3.35Å; V606-I615 PolarHBondContact O-N 3.31Å; V606-I616 HydrophobicContact CB-CG2 3.7Å; V606-I616 HydrophobicContact CG2-CG2 3.49Å; V606-I616 VanDerWaalsContact CG2-CG2 3.49Å; V606-I616 PolarHBondContact N-O 3.26Å |
| 607 | I | 86.7 | Confident | 79.2 | Confident | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 155.7 | 179.7 | 61.1 | 175.7 | 0 | 0 | 0 | 109.8 | L555 Y556 L558 F605 P614 | L555-I607 CarbonylContact C-O 3.51Å; L555-I607 WeakPolarHBondContact CA-O 3.44Å; Y556-I607 PolarHBondContact N-O 3.33Å; Y556-I607 PolarHBondContact O-N 3.06Å; L558-I607 HydrophobicContact CB-CD1 4.34Å; F605-I607 HydrophobicContact CB-CG2 4.3Å; I607-P614 HydrophobicContact CG2-CB 4.48Å |
| 608 | N | 83.7 | Confident | 80.2 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.7 | 169.4 | -172.8 | -37.7 | 0 | 0 | 0 | 108.6 | L555 Q610 S611 I615 | L555-N608 HydrophobicContact CD2-CB 4.5Å; N608-Q610 PolarHBondContact O-N 2.72Å; N608-Q610 PolarHBondContact OD1-N 3.03Å; N608-S611 PolarHBondContact O-N 2.99Å; N608-I615 HydrophobicContact CB-CD1 4.01Å |
| 609 | K | 77.7 | Confident | 80.9 | Confident | 157 Ų | 157 | 56.7 Ų | 56.7 | 68% | 0.683 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | -31.6 | 173.5 | -165.3 | 174.5 | 179.8 | 176.8 | 0 | 113.9 | G554 Y556 | G554-K609 PolarHBondContact O-N 2.69Å; Y556-K609 HydrophobicContact CD2-CB 4.45Å; Y556-K609 HydrophobicContact CE2-CB 3.99Å; Y556-K609 HydrophobicContact CE2-CD 4.32Å; Y556-K609 HydrophobicContact CE2-CG 4.2Å |
| 610 | Q | 72.4 | Confident | 81.6 | Confident | 176 Ų | 176 | 52.3 Ų | 52.3 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.7 | -176.5 | -64 | -178.3 | -14.4 | 0 | 0 | 114.7 | N608 | N608-Q610 PolarHBondContact O-N 2.72Å; N608-Q610 PolarHBondContact OD1-N 3.03Å |
| 611 | S | 70.9 | Confident | 81.8 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.8 | -175.6 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | N608 K613 | N608-S611 PolarHBondContact O-N 2.99Å; S611-K613 VanDerWaalsContact C-N 3.25Å; S611-K613 PolarHBondContact O-N 2.84Å; S611-K613 PolarHBondContact OG-N 2.76Å |
| 612 | S | 65.5 | Low | 81.8 | Confident | 122 Ų | 122 | 53 Ų | 53 | 85% | 0.853 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -8.5 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 613 | K | 72.6 | Confident | 81.5 | Confident | 147 Ų | 147 | 55.3 Ų | 55.3 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.4 | 179.5 | -68.5 | -174.8 | 177.9 | -178.3 | 0 | 110.3 | S611 I615 | S611-K613 VanDerWaalsContact C-N 3.25Å; S611-K613 PolarHBondContact O-N 2.84Å; S611-K613 PolarHBondContact OG-N 2.76Å; K613-I615 PolarHBondContact O-N 3.01Å |
| 614 | P | 75.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 56 Ų | 56 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136.5 | 174.5 | 27.5 | -33.1 | 0 | 0 | 0 | 110.5 | V515 F605 I607 | V515-P614 WeakPolarHBondContact CG2-O 3.3Å; F605-P614 HydrophobicContact CB-CB 4.27Å; F605-P614 HydrophobicContact CD1-CB 3.62Å; F605-P614 HydrophobicContact CD1-CG 4.09Å; F605-P614 HydrophobicContact CE1-CB 4.47Å; F605-P614 HydrophobicContact CE1-CG 4.49Å; F605-P614 HydrophobicContact CG-CB 4.37Å; I607-P614 HydrophobicContact CG2-CB 4.48Å |
| 615 | I | 76.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -43.8 | 175.6 | -66.3 | 166.7 | 0 | 0 | 0 | 109.8 | V515 Y518 L555 V606 N608 K613 | V515-I615 PolarHBondContact N-O 3.03Å; Y518-I615 HydrophobicContact CG-CD1 4.35Å; Y518-I615 HydrophobicContact CG-CG1 4.46Å; L555-I615 HydrophobicContact CD2-CD1 3.35Å; V606-I615 WeakPolarHBondContact O-CB 3.35Å; V606-I615 PolarHBondContact O-N 3.31Å; N608-I615 HydrophobicContact CB-CD1 4.01Å; K613-I615 PolarHBondContact O-N 3.01Å |
| 616 | I | 80.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 140.7 | 178.9 | -165.7 | 164.2 | 0 | 0 | 0 | 107.8 | P512 L524 F605 V606 | P512-I616 HydrophobicContact CB-CD1 3.8Å; P512-I616 HydrophobicContact CB-CG1 3.7Å; L524-I616 HydrophobicContact CB-CD1 3.84Å; L524-I616 HydrophobicContact CB-CG1 4.22Å; L524-I616 HydrophobicContact CB-CG2 3.8Å; L524-I616 HydrophobicContact CD2-CG2 4.13Å; F605-I616 WeakPolarHBondContact CA-O 3.49Å; V606-I616 HydrophobicContact CB-CG2 3.7Å; V606-I616 HydrophobicContact CG2-CG2 3.49Å; V606-I616 VanDerWaalsContact CG2-CG2 3.49Å; V606-I616 PolarHBondContact N-O 3.26Å |
| 617 | S | 82.5 | Confident | 77.4 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.5 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | P512 V604 | P512-S617 WeakPolarHBondContact CA-O 3.48Å; V604-S617 CarbonylContact O-C 3.53Å; V604-S617 WeakPolarHBondContact O-CA 3.21Å |
| 618 | S | 83.6 | Confident | 75.8 | Confident | 20 Ų | 20 | 69 Ų | 69 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.5 | 169.9 | -171.1 | 0 | 0 | 0 | 0 | 108 | V604 | V604-S618 PolarHBondContact N-O 3.33Å; V604-S618 PolarHBondContact O-N 2.94Å |
| 619 | S | 85.3 | Confident | 74 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.9 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 109.9 | E601 I602 | E601-S619 WeakPolarHBondContact OE1-CB 3.36Å; E601-S619 PolarHBondContact OE1-OG 3.11Å; I602-S619 WeakPolarHBondContact O-CA 3.48Å |
| 620 | V | 86.4 | Confident | 72 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121.5 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | V526 V528 E601 I602 | V526-V620 HydrophobicContact CB-CG2 3.74Å; V526-V620 HydrophobicContact CG1-CG2 3.47Å; V526-V620 VanDerWaalsContact CG1-CG2 3.47Å; V528-V620 HydrophobicContact CB-CG1 4.25Å; V528-V620 HydrophobicContact CG2-CB 4.37Å; V528-V620 HydrophobicContact CG2-CG1 3.56Å; E601-V620 WeakPolarHBondContact CA-O 3.43Å; I602-V620 PolarHBondContact N-O 2.78Å; I602-V620 PolarHBondContact O-N 3.34Å |
| 621 | K | 86.4 | Confident | 72 | Confident | 136 Ų | 136 | 74.9 Ų | 74.9 | 59% | 0.591 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.9 | 170 | -69.4 | 179.7 | 153.8 | -140.2 | 0 | 109.2 | E599 | E599-K621 IonicContact OE2-NZ 2.69Å; E599-K621 PolarHBondContact OE2-NZ 3.04Å |
| 622 | M | 87 | Confident | 72.1 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 133 | 179 | -70.3 | -66.6 | -80.6 | 0 | 0 | 109.8 | V528 F535 Y566 I590 E600 I602 | V528-M622 HydrophobicContact CB-SD 4.47Å; V528-M622 HydrophobicContact CG1-CE 4.39Å; V528-M622 HydrophobicContact CG1-SD 3.97Å; V528-M622 HydrophobicContact CG2-SD 3.82Å; F535-M622 HydrophobicContact CB-CE 4.25Å; F535-M622 HydrophobicContact CD2-CE 3.75Å; F535-M622 HydrophobicContact CE2-CE 4.25Å; F535-M622 HydrophobicContact CG-CE 3.99Å; Y566-M622 HydrophobicContact CD1-CE 4.1Å; Y566-M622 HydrophobicContact CE1-CE 3.67Å; Y566-M622 HydrophobicContact CE2-CB 4.24Å; Y566-M622 HydrophobicContact CE2-CG 3.98Å; Y566-M622 VanDerWaalsContact OH-CB 3.22Å; Y566-M622 WeakPolarHBondContact OH-CB 3.3Å; I590-M622 HydrophobicContact CB-CE 4.28Å; I590-M622 HydrophobicContact CD1-CE 3.75Å; I590-M622 HydrophobicContact CD1-SD 4.11Å; I590-M622 HydrophobicContact CG2-CE 3.64Å; E600-M622 PolarHBondContact O-N 3.06Å; I602-M622 HydrophobicContact CD1-CE 3.77Å; I602-M622 HydrophobicContact CD1-CG 3.79Å; I602-M622 HydrophobicContact CD1-SD 3.51Å; I602-M622 VanDerWaalsContact CD1-SD 3.51Å; I602-M622 HydrophobicContact CG1-CG 3.77Å; I602-M622 HydrophobicContact CG1-SD 4.05Å |
| 623 | P | 81.6 | Confident | 72.4 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 144.8 | 172.2 | 27 | -32.3 | 0 | 0 | 0 | 110 | V528 F535 S625 | V528-P623 HydrophobicContact CG1-CG 4.35Å; F535-P623 HydrophobicContact CD1-CG 3.99Å; F535-P623 HydrophobicContact CE1-CG 3.58Å; F535-P623 HydrophobicContact CZ-CG 4.38Å; P623-S625 PolarHBondContact O-N 2.96Å |
| 624 | I | 76.6 | Confident | 72.4 | Confident | 110 Ų | 110 | 68.8 Ų | 68.8 | 56% | 0.564 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 130.5 | 173.3 | -56.6 | 169.9 | 0 | 0 | 0 | 107.2 | ||
| 625 | S | 70.7 | Confident | 72.2 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -64 | 135.4 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | L531 G532 P623 | L531-S625 WeakPolarHBondContact O-CA 3.08Å; G532-S625 WeakPolarHBondContact CA-OG 3.16Å; P623-S625 PolarHBondContact O-N 2.96Å |
| 626 | E | 65.5 | Low | 71.9 | Confident | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 137.3 | 165 | -76.9 | -174.8 | 161.8 | 0 | 0 | 108.6 | L531 S628 | L531-E626 PolarHBondContact O-N 3.39Å; E626-S628 PolarHBondContact O-N 2.86Å |
| 627 | P | 58.7 | Low | 71.3 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 131.5 | 173.6 | 23.8 | -31.2 | 0 | 0 | 0 | 108.4 | T629 | P627-T629 PolarHBondContact O-N 3.04Š|
| 628 | S | 52.3 | Low | 70.5 | Confident | 95 Ų | 95 | 85.6 Ų | 85.6 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 116 | 175.4 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | E626 E630 | E626-S628 PolarHBondContact O-N 2.86Å; S628-E630 PolarHBondContact O-N 3.39Å |
| 629 | T | 45.7 | Very low | 69.4 | Low | 147 Ų | 147 | 91.1 Ų | 91.1 | 90% | 0.902 | 50% | 0.497 | S | S | * | . | trans | -75.5 | 53.1 | 173.7 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | P627 | P627-T629 PolarHBondContact O-N 3.04Š| ||
| 630 | E | 36.1 | Very low | 67.9 | Low | 251 Ų | 251 | 96.5 Ų | 96.5 | 100% | 1.173 | 52% | 0.522 | S | S | * | . | trans | -87.8 | 0 | 163.4 | -77.9 | -165.8 | 164.2 | 0 | 0 | 111.2 | S628 | S628-E630 PolarHBondContact O-N 3.39Š|
Retrieved 630 of 630 residues in 576.7 ms
(Link to these results)