| 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 | 27.7 | Very low | 39.9 | Very low | 189 Ų | 189 | 70.4 Ų | 70.4 | 93% | 0.931 | 36% | 0.357 | S | S | * | . | 0 | -48.8 | 0 | -151 | 173.9 | -170.4 | 0 | 0 | 112.3 | I3 L4 I5 | M1-I3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 2.76Å; M1-I5 PolarHBondContact O-N 3.04Å; M1-I5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | H | 27.6 | Very low | 40.6 | Very low | 155 Ų | 155 | 64.5 Ų | 64.5 | 72% | 0.718 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.6 | -42 | 172.4 | -99.7 | -89.2 | 0 | 0 | 0 | 113.9 | L4 I5 Q6 | H2-L4 VanDerWaalsContact C-N 3.33Å; H2-L4 PolarHBondContact O-N 3.2Å; H2-I5 PolarHBondContact O-N 3.35Å; H2-Q6 WeakPolarHBondContact O-CB 3.49Å; H2-Q6 PolarHBondContact O-N 2.94Å |
| 3 | I | 32.5 | Very low | 41.7 | Very low | 105 Ų | 105 | 60.6 Ų | 60.6 | 54% | 0.538 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 175.7 | -66.8 | 166.6 | 0 | 0 | 0 | 112 | M1 Q6 I7 | M1-I3 PolarHBondContact O-N 2.99Å; I3-Q6 PolarHBondContact O-N 3.14Å; I3-I7 HydrophobicContact CG2-CD1 3.6Å; I3-I7 HydrophobicContact CG2-CG1 4.3Å; I3-I7 WeakPolarHBondContact O-CB 3.19Å; I3-I7 WeakPolarHBondContact O-CG1 3.23Å; I3-I7 PolarHBondContact O-N 2.9Å |
| 4 | L | 31.1 | Very low | 42.5 | Very low | 40 Ų | 40 | 56.4 Ų | 56.4 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.4 | -35 | 178.1 | -89.9 | 160.9 | 0 | 0 | 0 | 112.8 | M1 H2 S8 E367 K369 | M1-L4 PolarHBondContact O-N 2.76Å; H2-L4 VanDerWaalsContact C-N 3.33Å; H2-L4 PolarHBondContact O-N 3.2Å; L4-S8 WeakPolarHBondContact O-CB 3.19Å; L4-S8 PolarHBondContact O-N 2.68Å; L4-S8 PolarHBondContact O-OG 2.69Å; L4-E367 WeakPolarHBondContact CD1-OE2 3.47Å; L4-E367 WeakPolarHBondContact CD2-OE2 3.37Å; L4-E367 WeakPolarHBondContact CG-OE2 3.26Å; L4-K369 HydrophobicContact CD2-CD 4.24Å |
| 5 | I | 36.1 | Very low | 42.9 | Very low | 95 Ų | 95 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 173.8 | -65.3 | 171.4 | 0 | 0 | 0 | 109.2 | M1 H2 I7 S8 V9 | M1-I5 PolarHBondContact O-N 3.04Å; M1-I5 VanDerWaalsContact O-N 3.14Å; H2-I5 PolarHBondContact O-N 3.35Å; I5-I7 PolarHBondContact O-N 3.37Å; I5-S8 WeakPolarHBondContact CA-OG 3.35Å; I5-S8 PolarHBondContact O-N 3.38Å; I5-S8 PolarHBondContact O-OG 3.32Å; I5-V9 HydrophobicContact CG2-CG2 4Å; I5-V9 VanDerWaalsContact O-CB 3.22Å; I5-V9 WeakPolarHBondContact O-CB 3.43Å; I5-V9 WeakPolarHBondContact O-CG2 3.16Å; I5-V9 PolarHBondContact O-N 2.97Å |
| 6 | Q | 42.4 | Very low | 43.4 | Very low | 59 Ų | 59 | 51 Ų | 51 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.1 | -83.3 | 169.5 | -33.7 | 0 | 0 | 111.2 | H2 I3 F10 N69 | H2-Q6 WeakPolarHBondContact O-CB 3.49Å; H2-Q6 PolarHBondContact O-N 2.94Å; I3-Q6 PolarHBondContact O-N 3.14Å; Q6-F10 VanDerWaalsContact O-CA 3.3Å; Q6-F10 WeakPolarHBondContact O-CA 3.37Å; Q6-F10 WeakPolarHBondContact O-CB 3.49Å; Q6-F10 PolarHBondContact O-N 2.75Å; Q6-N69 PolarHBondContact NE2-OD1 3.12Å |
| 7 | I | 46.5 | Very low | 43.8 | Very low | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.179 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 179.1 | -68.1 | 168 | 0 | 0 | 0 | 111.9 | I3 I5 L11 V366 | I3-I7 HydrophobicContact CG2-CD1 3.6Å; I3-I7 HydrophobicContact CG2-CG1 4.3Å; I3-I7 WeakPolarHBondContact O-CB 3.19Å; I3-I7 WeakPolarHBondContact O-CG1 3.23Å; I3-I7 PolarHBondContact O-N 2.9Å; I5-I7 PolarHBondContact O-N 3.37Å; I7-L11 HydrophobicContact CG2-CD1 3.6Å; I7-L11 HydrophobicContact CG2-CG 4.02Å; I7-L11 WeakPolarHBondContact O-CA 3.25Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 3.08Å; I7-V366 HydrophobicContact CD1-CG2 4.1Å; I7-V366 HydrophobicContact CG2-CG1 3.97Å; I7-V366 HydrophobicContact CG2-CG2 4.3Å |
| 8 | S | 43.7 | Very low | 44.2 | Very low | 26 Ų | 26 | 46.7 Ų | 46.7 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.6 | -40.2 | 178.9 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | L4 I5 A12 | L4-S8 WeakPolarHBondContact O-CB 3.19Å; L4-S8 PolarHBondContact O-N 2.68Å; L4-S8 PolarHBondContact O-OG 2.69Å; I5-S8 WeakPolarHBondContact CA-OG 3.35Å; I5-S8 PolarHBondContact O-N 3.38Å; I5-S8 PolarHBondContact O-OG 3.32Å; S8-A12 VanDerWaalsContact O-CB 3.24Å; S8-A12 WeakPolarHBondContact O-CB 3.2Å; S8-A12 PolarHBondContact O-N 2.84Å |
| 9 | V | 46.1 | Very low | 44.4 | Very low | 57 Ų | 57 | 45.4 Ų | 45.4 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65 | -48.2 | 170.8 | 174.2 | 0 | 0 | 0 | 0 | 109 | I5 L11 A12 Y13 | I5-V9 HydrophobicContact CG2-CG2 4Å; I5-V9 VanDerWaalsContact O-CB 3.22Å; I5-V9 WeakPolarHBondContact O-CB 3.43Å; I5-V9 WeakPolarHBondContact O-CG2 3.16Å; I5-V9 PolarHBondContact O-N 2.97Å; V9-L11 PolarHBondContact O-N 3.21Å; V9-A12 PolarHBondContact O-N 3.14Å; V9-Y13 HydrophobicContact CG1-CD2 4.13Å; V9-Y13 VanDerWaalsContact O-CB 3.23Å; V9-Y13 WeakPolarHBondContact O-CB 3.33Å; V9-Y13 PolarHBondContact O-N 3.35Å |
| 10 | F | 53 | Low | 44.7 | Very low | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 177.1 | -179.5 | -74.5 | 0 | 0 | 0 | 111.7 | Q6 A12 Y13 S14 W53 F71 F88 | Q6-F10 VanDerWaalsContact O-CA 3.3Å; Q6-F10 WeakPolarHBondContact O-CA 3.37Å; Q6-F10 WeakPolarHBondContact O-CB 3.49Å; Q6-F10 PolarHBondContact O-N 2.75Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 2.88Å; F10-Y13 PolarHBondContact O-N 2.84Å; F10-S14 WeakPolarHBondContact O-CA 3.28Å; F10-S14 WeakPolarHBondContact O-CB 3.26Å; F10-S14 PolarHBondContact O-N 3.3Å; F10-S14 PolarHBondContact O-OG 2.73Å; F10-W53 HydrophobicContact CD1-CD2 4.39Å; F10-W53 HydrophobicContact CD1-CE3 4.25Å; F10-W53 HydrophobicContact CD1-CH2 4.06Å; F10-W53 HydrophobicContact CD1-CZ2 4.22Å; F10-W53 HydrophobicContact CD1-CZ3 4.08Å; F10-W53 AromaticContact CE1-CD2 3.29Å; F10-W53 HydrophobicContact CE1-CD2 3.29Å; F10-W53 AromaticContact CE1-CE2 3.63Å; F10-W53 AromaticContact CE1-CE3 3.12Å; F10-W53 HydrophobicContact CE1-CE3 3.12Å; F10-W53 AromaticContact CE1-CG 3.92Å; F10-W53 HydrophobicContact CE1-CG 3.92Å; F10-W53 AromaticContact CE1-CH2 3.67Å; F10-W53 HydrophobicContact CE1-CH2 3.67Å; F10-W53 AromaticContact CE1-CZ2 3.83Å; F10-W53 HydrophobicContact CE1-CZ2 3.83Å; F10-W53 AromaticContact CE1-CZ3 3.32Å; F10-W53 HydrophobicContact CE1-CZ3 3.32Å; F10-W53 HydrophobicContact CE2-CE3 4.4Å; F10-W53 HydrophobicContact CE2-CZ3 4.48Å; F10-W53 AromaticContact CZ-CD2 3.76Å; F10-W53 HydrophobicContact CZ-CD2 3.76Å; F10-W53 AromaticContact CZ-CE3 3.21Å; F10-W53 HydrophobicContact CZ-CE3 3.21Å; F10-W53 HydrophobicContact CZ-CG 4.31Å; F10-W53 HydrophobicContact CZ-CH2 4.35Å; F10-W53 AromaticContact CZ-CZ3 3.57Å; F10-W53 HydrophobicContact CZ-CZ3 3.57Å; F10-F71 HydrophobicContact CD2-CD1 4.09Å; F10-F71 HydrophobicContact CD2-CE1 4.34Å; F10-F71 HydrophobicContact CD2-CG 4.31Å; F10-F71 HydrophobicContact CE2-CB 3.41Å; F10-F71 VanDerWaalsContact CE2-CB 3.41Å; F10-F71 AromaticContact CE2-CD1 3.38Å; F10-F71 HydrophobicContact CE2-CD1 3.38Å; F10-F71 AromaticContact CE2-CD2 3.72Å; F10-F71 HydrophobicContact CE2-CD2 3.72Å; F10-F71 AromaticContact CE2-CE1 3.96Å; F10-F71 HydrophobicContact CE2-CE1 3.96Å; F10-F71 HydrophobicContact CE2-CE2 4.25Å; F10-F71 AromaticContact CE2-CG 3.23Å; F10-F71 HydrophobicContact CE2-CG 3.23Å; F10-F71 HydrophobicContact CE2-CZ 4.35Å; F10-F71 HydrophobicContact CZ-CB 3.64Å; F10-F71 HydrophobicContact CZ-CD1 4.28Å; F10-F71 AromaticContact CZ-CD2 3.8Å; F10-F71 HydrophobicContact CZ-CD2 3.8Å; F10-F71 HydrophobicContact CZ-CE2 4.46Å; F10-F71 AromaticContact CZ-CG 3.68Å; F10-F71 HydrophobicContact CZ-CG 3.68Å; F10-F88 HydrophobicContact CB-CE2 4.15Å; F10-F88 HydrophobicContact CB-CZ 3.99Å; F10-F88 AromaticContact CD2-CE2 3.57Å; F10-F88 HydrophobicContact CD2-CE2 3.57Å; F10-F88 AromaticContact CD2-CZ 3.54Å; F10-F88 HydrophobicContact CD2-CZ 3.54Å; F10-F88 HydrophobicContact CE2-CE2 4.47Å; F10-F88 HydrophobicContact CE2-CZ 4.4Å; F10-F88 HydrophobicContact CG-CE2 4.36Å; F10-F88 HydrophobicContact CG-CZ 4.16Å |
| 11 | L | 52.1 | Low | 44.7 | Very low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.6 | -78 | 170.3 | 0 | 0 | 0 | 109.1 | I7 V9 S14 M15 W53 H364 V366 F371 | I7-L11 HydrophobicContact CG2-CD1 3.6Å; I7-L11 HydrophobicContact CG2-CG 4.02Å; I7-L11 WeakPolarHBondContact O-CA 3.25Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 3.08Å; V9-L11 PolarHBondContact O-N 3.21Å; L11-S14 PolarHBondContact O-OG 2.99Å; L11-M15 WeakPolarHBondContact O-CB 3.33Å; L11-M15 WeakPolarHBondContact O-CG 3.41Å; L11-M15 PolarHBondContact O-N 2.89Å; L11-W53 HydrophobicContact CD2-CZ2 3.87Å; L11-H364 HydrophobicContact CD2-CB 4.38Å; L11-V366 HydrophobicContact CD1-CG1 4.35Å; L11-F371 HydrophobicContact CD1-CB 4.43Å; L11-F371 HydrophobicContact CD1-CD1 4.15Å; L11-F371 HydrophobicContact CD1-CD2 3.66Å; L11-F371 HydrophobicContact CD1-CE1 4.31Å; L11-F371 HydrophobicContact CD1-CE2 3.84Å; L11-F371 HydrophobicContact CD1-CG 3.82Å; L11-F371 HydrophobicContact CD1-CZ 4.17Å |
| 12 | A | 49 | Very low | 45.7 | Very low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | S8 V9 F10 Q16 V382 I401 L404 | S8-A12 VanDerWaalsContact O-CB 3.24Å; S8-A12 WeakPolarHBondContact O-CB 3.2Å; S8-A12 PolarHBondContact O-N 2.84Å; V9-A12 PolarHBondContact O-N 3.14Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 2.88Å; A12-Q16 PolarHBondContact O-N 2.85Å; A12-Q16 VanDerWaalsContact O-N 3.11Å; A12-V382 HydrophobicContact CB-CG2 4.48Å; A12-I401 HydrophobicContact CB-CD1 4.18Å; A12-I401 HydrophobicContact CB-CG2 4.42Å; A12-L404 HydrophobicContact CB-CD1 3.26Å; A12-L404 HydrophobicContact CB-CD2 4.07Å; A12-L404 HydrophobicContact CB-CG 4.32Å |
| 13 | Y | 54.3 | Low | 47.2 | Very low | 14 Ų | 14 | 33.1 Ų | 33.1 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.8 | -51.2 | 176.1 | -121.9 | -77.8 | 0 | 0 | 0 | 112.3 | V9 F10 M15 Q16 L17 M407 V428 Q429 | V9-Y13 HydrophobicContact CG1-CD2 4.13Å; V9-Y13 VanDerWaalsContact O-CB 3.23Å; V9-Y13 WeakPolarHBondContact O-CB 3.33Å; V9-Y13 PolarHBondContact O-N 3.35Å; F10-Y13 PolarHBondContact O-N 2.84Å; Y13-M15 PolarHBondContact O-N 3.08Å; Y13-Q16 PolarHBondContact O-N 3.04Å; Y13-L17 HydrophobicContact CD1-CD1 3.64Å; Y13-L17 HydrophobicContact CD1-CG 3.96Å; Y13-L17 HydrophobicContact CE1-CD1 4.32Å; Y13-L17 HydrophobicContact CE1-CG 4.47Å; Y13-L17 VanDerWaalsContact O-CB 3.26Å; Y13-L17 WeakPolarHBondContact O-CB 3.24Å; Y13-L17 WeakPolarHBondContact O-CG 3.36Å; Y13-L17 PolarHBondContact O-N 2.85Å; Y13-M407 HydrophobicContact CE2-SD 3.93Å; Y13-V428 HydrophobicContact CD1-CG1 3.74Å; Y13-V428 HydrophobicContact CD2-CG1 3.96Å; Y13-V428 HydrophobicContact CE1-CB 4.48Å; Y13-V428 HydrophobicContact CE1-CG1 3.61Å; Y13-V428 WeakPolarHBondContact CE1-O 3.32Å; Y13-V428 HydrophobicContact CE2-CG1 3.8Å; Y13-V428 HydrophobicContact CG-CG1 3.92Å; Y13-Q429 VanDerWaalsContact OH-CA 3.25Å; Y13-Q429 WeakPolarHBondContact OH-CA 3.35Å |
| 14 | S | 52.4 | Low | 48.9 | Very low | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 177 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | F10 L11 L17 I18 | F10-S14 WeakPolarHBondContact O-CA 3.28Å; F10-S14 WeakPolarHBondContact O-CB 3.26Å; F10-S14 PolarHBondContact O-N 3.3Å; F10-S14 PolarHBondContact O-OG 2.73Å; L11-S14 PolarHBondContact O-OG 2.99Å; S14-L17 PolarHBondContact O-N 3.4Å; S14-I18 WeakPolarHBondContact O-CB 3.47Å; S14-I18 VanDerWaalsContact O-CD1 3.23Å; S14-I18 WeakPolarHBondContact O-CD1 3.14Å; S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.04Å |
| 15 | M | 48.9 | Very low | 50.8 | Low | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | -179.4 | -76.4 | -176.7 | 132.2 | 0 | 0 | 113.8 | L11 Y13 C19 D362 L373 V382 | L11-M15 WeakPolarHBondContact O-CB 3.33Å; L11-M15 WeakPolarHBondContact O-CG 3.41Å; L11-M15 PolarHBondContact O-N 2.89Å; Y13-M15 PolarHBondContact O-N 3.08Å; M15-C19 PolarHBondContact O-SG 3.09Å; M15-D362 HydrophobicContact CE-CB 3.66Å; M15-L373 HydrophobicContact CB-CB 4.48Å; M15-L373 HydrophobicContact CB-CD1 3.93Å; M15-L373 HydrophobicContact CB-CD2 3.65Å; M15-L373 HydrophobicContact CB-CG 4.2Å; M15-L373 HydrophobicContact CE-CB 3.37Å; M15-L373 HydrophobicContact CE-CD2 3.83Å; M15-L373 HydrophobicContact CE-CG 4.23Å; M15-L373 HydrophobicContact CG-CB 4.32Å; M15-L373 HydrophobicContact CG-CD2 3.79Å; M15-L373 HydrophobicContact CG-CG 4.45Å; M15-L373 HydrophobicContact SD-CB 3.51Å; M15-L373 VanDerWaalsContact SD-CB 3.51Å; M15-L373 HydrophobicContact SD-CD2 4.09Å; M15-L373 HydrophobicContact SD-CG 4.24Å; M15-V382 HydrophobicContact CB-CG2 4.3Å |
| 16 | Q | 50.5 | Low | 52.5 | Low | 21 Ų | 21 | 28.8 Ų | 28.8 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.3 | -48.5 | 170.6 | -90.7 | -177.8 | -30.6 | 0 | 0 | 112.3 | A12 Y13 I18 C19 C20 F380 L404 | A12-Q16 PolarHBondContact O-N 2.85Å; A12-Q16 VanDerWaalsContact O-N 3.11Å; Y13-Q16 PolarHBondContact O-N 3.04Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.75Å; Q16-C19 PolarHBondContact O-N 3.25Å; Q16-C19 VanDerWaalsContact O-N 3.13Å; Q16-C20 PolarHBondContact O-N 2.77Å; Q16-C20 PolarHBondContact O-SG 2.97Å; Q16-F380 HydrophobicContact CG-CB 4.42Å; Q16-L404 HydrophobicContact CG-CD2 3.73Å; Q16-L404 HydrophobicContact CG-CG 4.49Å; Q16-L404 VanDerWaalsContact OE1-CG 3.31Å |
| 17 | L | 51.3 | Low | 53.7 | Low | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.089 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | -179.2 | -74.5 | 173.8 | 0 | 0 | 0 | 112.4 | Y13 S14 C19 C20 A23 M73 | Y13-L17 HydrophobicContact CD1-CD1 3.64Å; Y13-L17 HydrophobicContact CD1-CG 3.96Å; Y13-L17 HydrophobicContact CE1-CD1 4.32Å; Y13-L17 HydrophobicContact CE1-CG 4.47Å; Y13-L17 VanDerWaalsContact O-CB 3.26Å; Y13-L17 WeakPolarHBondContact O-CB 3.24Å; Y13-L17 WeakPolarHBondContact O-CG 3.36Å; Y13-L17 PolarHBondContact O-N 2.85Å; S14-L17 PolarHBondContact O-N 3.4Å; L17-C19 PolarHBondContact O-N 3.28Å; L17-C20 PolarHBondContact O-N 3.29Å; L17-A23 HydrophobicContact CD2-CB 4.13Å; L17-M73 HydrophobicContact CB-CE 4.18Å; L17-M73 HydrophobicContact CB-SD 3.83Å; L17-M73 HydrophobicContact CD1-CE 4.15Å; L17-M73 HydrophobicContact CD1-SD 4.12Å |
| 18 | I | 50.8 | Low | 55 | Low | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 177.8 | -83.3 | 166.2 | 0 | 0 | 0 | 111.1 | S14 Q16 S51 W53 M73 R75 | S14-I18 WeakPolarHBondContact O-CB 3.47Å; S14-I18 VanDerWaalsContact O-CD1 3.23Å; S14-I18 WeakPolarHBondContact O-CD1 3.14Å; S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.04Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.75Å; I18-S51 WeakPolarHBondContact CG2-OG 3.37Å; I18-W53 HydrophobicContact CD1-CB 4.38Å; I18-M73 HydrophobicContact CG1-SD 4.35Å; I18-R75 PolarHBondContact O-NH1 2.75Å; I18-R75 VanDerWaalsContact O-NH1 3.13Å |
| 19 | C | 47.7 | Very low | 56.9 | Low | 22 Ų | 22 | 27.9 Ų | 27.9 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -83.9 | -22.3 | -172 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | M15 Q16 L17 S21 R75 F380 | M15-C19 PolarHBondContact O-SG 3.09Å; Q16-C19 PolarHBondContact O-N 3.25Å; Q16-C19 VanDerWaalsContact O-N 3.13Å; L17-C19 PolarHBondContact O-N 3.28Å; C19-S21 PolarHBondContact O-N 3.23Å; C19-R75 VanDerWaalsContact C-NH1 3.27Å; C19-R75 PolarHBondContact O-NH1 2.79Å; C19-F380 HydrophobicContact CB-CD1 3.9Å; C19-F380 HydrophobicContact CB-CD2 3.71Å; C19-F380 HydrophobicContact CB-CE1 3.43Å; C19-F380 VanDerWaalsContact CB-CE1 3.43Å; C19-F380 HydrophobicContact CB-CE2 3.22Å; C19-F380 HydrophobicContact CB-CG 4.04Å; C19-F380 HydrophobicContact CB-CZ 3.1Å |
| 20 | C | 50.8 | Low | 58.9 | Low | 14 Ų | 14 | 30.3 Ų | 30.3 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | trans | -86.2 | 102.1 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | Q16 L17 E22 A23 C509 | Q16-C20 PolarHBondContact O-N 2.77Å; Q16-C20 PolarHBondContact O-SG 2.97Å; L17-C20 PolarHBondContact O-N 3.29Å; C20-E22 PolarHBondContact O-N 3.4Å; C20-A23 HydrophobicContact CB-CB 3.84Å; C20-A23 WeakPolarHBondContact O-CB 3.34Å; C20-A23 PolarHBondContact O-N 2.66Å; C20-C509 VanDerWaalsContact SG-CA 3.57Å | ||
| 21 | S | 43.8 | Very low | 60.7 | Low | 58 Ų | 58 | 30.7 Ų | 30.7 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -62.6 | -26.5 | 178.9 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | C19 A23 | C19-S21 PolarHBondContact O-N 3.23Å; S21-A23 PolarHBondContact O-N 2.76Å |
| 22 | E | 49.1 | Very low | 62.5 | Low | 97 Ų | 97 | 35.4 Ų | 35.4 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -71.5 | -4.4 | 173.1 | -60.1 | -162.3 | -171.9 | 0 | 0 | 113.4 | C20 K437 | C20-E22 PolarHBondContact O-N 3.4Å; E22-K437 IonicContact OE2-NZ 3.75Å; E22-K437 PolarHBondContact OE2-NZ 3.18Å |
| 23 | A | 59.2 | Low | 64.4 | Low | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -91.3 | -15.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L17 C20 S21 R86 S431 | L17-A23 HydrophobicContact CD2-CB 4.13Å; C20-A23 HydrophobicContact CB-CB 3.84Å; C20-A23 WeakPolarHBondContact O-CB 3.34Å; C20-A23 PolarHBondContact O-N 2.66Å; S21-A23 PolarHBondContact O-N 2.76Å; A23-R86 PolarHBondContact O-NH2 3.17Å; A23-S431 WeakPolarHBondContact O-CB 3.46Å |
| 24 | F | 68.9 | Low | 65.4 | Low | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -75.2 | 128.2 | 178.1 | -87.8 | -104.6 | 0 | 0 | 0 | 110.6 | M73 R75 L82 E84 | F24-M73 HydrophobicContact CE1-CB 4.42Å; F24-M73 HydrophobicContact CZ-CB 3.96Å; F24-R75 HydrophobicContact CE2-CB 3.95Å; F24-R75 HydrophobicContact CZ-CB 3.96Å; F24-L82 HydrophobicContact CD1-CB 3.89Å; F24-L82 HydrophobicContact CE1-CB 4.25Å; F24-L82 HydrophobicContact CG-CB 4.33Å; F24-E84 VanDerWaalsContact CA-OE2 3.28Å; F24-E84 WeakPolarHBondContact CA-OE2 3.43Å; F24-E84 HydrophobicContact CD1-CB 3.58Å; F24-E84 HydrophobicContact CE1-CB 3.76Å; F24-E84 HydrophobicContact CG-CB 4.49Å |
| 25 | R | 70.6 | Confident | 66 | Low | 17 Ų | 17 | 45.2 Ų | 45.2 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | trans | -60.1 | 139.8 | 170.6 | -73.7 | -174.1 | -69.9 | 161.2 | -13.8 | 110.6 | D27 E84 E85 I92 S96 F432 D433 | R25-D27 IonicContact CZ-OD2 3.75Å; R25-D27 IonicContact NE-OD2 2.99Å; R25-D27 IonicContact NH1-OD2 3.49Å; R25-D27 PolarHBondContact NH1-OD2 2.87Å; R25-E84 HydrophobicContact CB-CG 4.35Å; R25-E84 WeakPolarHBondContact CD-OE1 3.28Å; R25-E84 VanDerWaalsContact CG-OE1 3.29Å; R25-E84 WeakPolarHBondContact CG-OE1 2.97Å; R25-E84 IonicContact CZ-OE1 3.13Å; R25-E84 PolarHBondContact N-OE2 3.22Å; R25-E84 IonicContact NE-OE1 3.93Å; R25-E84 PolarHBondContact NE-OE1 3Å; R25-E84 IonicContact NH2-OE1 2.8Å; R25-E85 PolarHBondContact NH2-O 3.38Å; R25-I92 PolarHBondContact NH1-O 2.81Å; R25-I92 PolarHBondContact NH2-O 2.98Å; R25-S96 WeakPolarHBondContact O-CB 3.29Å; R25-S96 PolarHBondContact O-OG 3.4Å; R25-S96 VanDerWaalsContact O-OG 3.04Å; R25-F432 HydrophobicContact CG-CB 4.37Å; R25-D433 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 26 | H | 70.9 | Confident | 66.3 | Low | 130 Ų | 130 | 46.8 Ų | 46.8 | 60% | 0.602 | 25% | 0.254 | S | S | * | . | trans | -108.2 | 36.9 | 172.2 | -66.3 | -63.2 | 0 | 0 | 0 | 112.7 | D433 | H26-D433 IonicContact CD2-OD2 3.16Å; H26-D433 PolarHBondContact N-OD2 2.96Å | ||
| 27 | D | 68.3 | Low | 66.3 | Low | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | -87.3 | -11.9 | -179.2 | 63.1 | 7.9 | 0 | 0 | 0 | 115 | R25 S96 P452 | R25-D27 IonicContact CZ-OD2 3.75Å; R25-D27 IonicContact NE-OD2 2.99Å; R25-D27 IonicContact NH1-OD2 3.49Å; R25-D27 PolarHBondContact NH1-OD2 2.87Å; D27-S96 PolarHBondContact N-OG 2.86Å; D27-S96 VanDerWaalsContact N-OG 3.11Å; D27-S96 WeakPolarHBondContact OD1-CB 3.41Å; D27-S96 PolarHBondContact OD1-N 2.96Å; D27-S96 PolarHBondContact OD1-OG 2.96Å; D27-P452 HydrophobicContact CB-CB 3.18Å; D27-P452 HydrophobicContact CB-CG 4.06Å | ||
| 28 | G | 74 | Confident | 66.4 | Low | 23 Ų | 23 | 53.6 Ų | 53.6 | 24% | 0.237 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -91.8 | 165.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | S96 | G28-S96 WeakPolarHBondContact CA-O 3.46Å; G28-S96 WeakPolarHBondContact CA-OG 3.1Å; G28-S96 PolarHBondContact N-OG 2.91Å |
| 29 | P | 83.7 | Confident | 66.5 | Low | 56 Ų | 56 | 58.3 Ų | 58.3 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -62.6 | 146.1 | 171.5 | 28.3 | -33.2 | 0 | 0 | 0 | 110.6 | L31 L97 S98 | P29-L31 HydrophobicContact CB-CD2 4.15Å; P29-L31 HydrophobicContact CB-CG 4.32Å; P29-L97 HydrophobicContact CG-CD1 3.89Å; P29-S98 PolarHBondContact O-N 2.97Å | ||
| 30 | K | 88.4 | Confident | 66.7 | Low | 108 Ų | 108 | 59.3 Ų | 59.3 | 47% | 0.47 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115 | 165.1 | -175.4 | 173.7 | -171.5 | 166.5 | 0 | 109.1 | S98 | K30-S98 CarbonylContact C-O 3.46Å; K30-S98 VanDerWaalsContact CA-O 3.31Å; K30-S98 WeakPolarHBondContact CA-O 3.19Å |
| 31 | L | 90.7 | Very high | 66.7 | Low | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.2 | -177.6 | -54.8 | 177.1 | 0 | 0 | 0 | 109.1 | P29 L97 S98 L99 R100 L153 I158 | P29-L31 HydrophobicContact CB-CD2 4.15Å; P29-L31 HydrophobicContact CB-CG 4.32Å; L31-L97 HydrophobicContact CD1-CD1 3.77Å; L31-L97 HydrophobicContact CG-CD1 4.16Å; L31-S98 PolarHBondContact N-O 2.77Å; L31-L99 HydrophobicContact CB-CD2 3.92Å; L31-L99 HydrophobicContact CD1-CD2 4.25Å; L31-L99 HydrophobicContact CG-CD2 4.47Å; L31-L99 WeakPolarHBondContact O-CA 3.13Å; L31-R100 PolarHBondContact O-N 2.81Å; L31-L153 HydrophobicContact CD1-CD2 4.01Å; L31-L153 HydrophobicContact CD1-CG 4.15Å; L31-I158 HydrophobicContact CB-CD1 3.93Å; L31-I158 HydrophobicContact CD1-CD1 3.28Å; L31-I158 HydrophobicContact CG-CD1 4.19Å |
| 32 | I | 89.3 | Confident | 66.9 | Low | 101 Ų | 101 | 63.7 Ų | 63.7 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.5 | -179 | -58.4 | 175.6 | 0 | 0 | 0 | 108.4 | R100 T102 | I32-R100 CarbonylContact C-O 3.53Å; I32-R100 WeakPolarHBondContact CA-O 3.08Å; I32-T102 WeakPolarHBondContact CG2-OG1 3.49Å |
| 33 | L | 88.9 | Confident | 66.5 | Low | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 165.5 | 175.6 | -64.2 | 96.4 | 0 | 0 | 0 | 110.2 | L99 R100 F101 T102 Y130 I132 I158 | L33-L99 HydrophobicContact CD1-CB 3.87Å; L33-L99 HydrophobicContact CD1-CD2 4.03Å; L33-L99 HydrophobicContact CD1-CG 4.41Å; L33-R100 PolarHBondContact N-O 3.49Å; L33-F101 HydrophobicContact CB-CD1 3.85Å; L33-F101 HydrophobicContact CB-CE1 4.16Å; L33-F101 HydrophobicContact CD1-CE1 4.22Å; L33-F101 HydrophobicContact CD1-CZ 4.49Å; L33-F101 HydrophobicContact CD2-CD1 4.42Å; L33-F101 HydrophobicContact CD2-CE1 3.89Å; L33-F101 HydrophobicContact CG-CE1 4.33Å; L33-T102 WeakPolarHBondContact O-CB 3.17Å; L33-T102 PolarHBondContact O-N 2.92Å; L33-T102 PolarHBondContact O-OG1 3.41Å; L33-Y130 HydrophobicContact CB-CE1 4.17Å; L33-Y130 HydrophobicContact CD2-CD1 3.65Å; L33-Y130 HydrophobicContact CD2-CE1 3.83Å; L33-Y130 HydrophobicContact CD2-CG 4.39Å; L33-I132 HydrophobicContact CD2-CD1 4.41Å; L33-I158 HydrophobicContact CD1-CG2 4.25Å; L33-I158 HydrophobicContact CD2-CG2 3.18Å; L33-I158 HydrophobicContact CG-CG2 3.5Å; L33-I158 VanDerWaalsContact CG-CG2 3.5Å |
| 34 | G | 75.4 | Confident | 66 | Low | 25 Ų | 25 | 70.5 Ų | 70.5 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | trans | 88.9 | 129.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 35 | E | 64.2 | Low | 65.4 | Low | 189 Ų | 189 | 72.7 Ų | 72.7 | 88% | 0.883 | 42% | 0.423 | S | S | * | . | trans | -105.5 | 4.9 | 170.4 | -63.1 | -174.9 | 168.1 | 0 | 0 | 111 | S37 | E35-S37 PolarHBondContact O-N 2.97Å; E35-S37 VanDerWaalsContact O-N 3.11Å | ||
| 36 | S | 56 | Low | 64.7 | Low | 39 Ų | 39 | 81.2 Ų | 81.2 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | trans | -67.8 | 114.1 | -172.8 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | A38 N103 | S36-A38 PolarHBondContact OG-N 2.91Å; S36-N103 PolarHBondContact O-ND2 2.97Å | ||
| 37 | S | 49.8 | Very low | 64.4 | Low | 120 Ų | 120 | 77 Ų | 77 | 84% | 0.839 | 45% | 0.445 | S | S | * | . | trans | -76.4 | -9 | 167.6 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | E35 V39 | E35-S37 PolarHBondContact O-N 2.97Å; E35-S37 VanDerWaalsContact O-N 3.11Å; S37-V39 PolarHBondContact O-N 3.22Å | ||
| 38 | A | 54.6 | Low | 64.6 | Low | 61 Ų | 61 | 79.5 Ų | 79.5 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | trans | -76.3 | 114.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S36 C40 N103 | S36-A38 PolarHBondContact OG-N 2.91Å; A38-C40 PolarHBondContact O-N 2.88Å; A38-C40 VanDerWaalsContact O-N 3.12Å; A38-N103 VanDerWaalsContact O-CB 3.25Å; A38-N103 WeakPolarHBondContact O-CB 3.24Å | ||
| 39 | V | 51.6 | Low | 64.9 | Low | 107 Ų | 107 | 82.1 Ų | 82.1 | 65% | 0.648 | 47% | 0.471 | S | S | * | . | trans | -70.8 | 101.8 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | S37 T41 | S37-V39 PolarHBondContact O-N 3.22Å; V39-T41 PolarHBondContact O-N 2.97Å | ||
| 40 | C | 53.4 | Low | 64.8 | Low | 43 Ų | 43 | 80.1 Ų | 80.1 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | trans | -64.4 | 117.5 | 152.4 | -82.2 | 0 | 0 | 0 | 0 | 105.8 | A38 L42 N103 | A38-C40 PolarHBondContact O-N 2.88Å; A38-C40 VanDerWaalsContact O-N 3.12Å; C40-L42 PolarHBondContact O-N 3.33Å; C40-N103 WeakPolarHBondContact CB-O 3.28Å | ||
| 41 | T | 50.3 | Low | 64.6 | Low | 79 Ų | 79 | 76.9 Ų | 76.9 | 49% | 0.485 | 45% | 0.449 | S | S | . | . | trans | -61.2 | 91.1 | 170.3 | 26.5 | 0 | 0 | 0 | 0 | 108 | V39 A43 E44 | V39-T41 PolarHBondContact O-N 2.97Å; T41-A43 PolarHBondContact O-N 2.83Å; T41-E44 PolarHBondContact O-N 3.38Å; T41-E44 PolarHBondContact OG1-OE2 3.15Å | ||
| 42 | L | 47.7 | Very low | 64.3 | Low | 84 Ų | 84 | 76.5 Ų | 76.5 | 44% | 0.44 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -21.8 | 177.9 | -83.1 | 166.8 | 0 | 0 | 0 | 113.7 | C40 E44 Q79 V105 | C40-L42 PolarHBondContact O-N 3.33Å; L42-E44 PolarHBondContact O-N 3.31Å; L42-Q79 HydrophobicContact CD2-CG 3.91Å; L42-V105 HydrophobicContact CD2-CG2 3.64Å |
| 43 | A | 41.4 | Very low | 64.2 | Low | 93 Ų | 93 | 74.8 Ų | 74.8 | 77% | 0.769 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T41 | T41-A43 PolarHBondContact O-N 2.83Š|
| 44 | E | 48.9 | Very low | 64.1 | Low | 155 Ų | 155 | 75.5 Ų | 75.5 | 72% | 0.724 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -25.7 | -176.3 | -71.5 | 163.6 | 162.4 | 0 | 0 | 113 | T41 L42 K46 | T41-E44 PolarHBondContact O-N 3.38Å; T41-E44 PolarHBondContact OG1-OE2 3.15Å; L42-E44 PolarHBondContact O-N 3.31Å; E44-K46 PolarHBondContact O-N 3.19Å |
| 45 | L | 55.7 | Low | 64.5 | Low | 47 Ų | 47 | 75.2 Ų | 75.2 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | trans | -103.2 | 81 | 178.3 | -81.2 | 127.3 | 0 | 0 | 0 | 111.7 | S47 V105 T126 P174 | L45-S47 VanDerWaalsContact C-N 3.26Å; L45-S47 PolarHBondContact O-N 2.95Å; L45-V105 HydrophobicContact CB-CG2 4.42Å; L45-T126 HydrophobicContact CD1-CG2 4.4Å; L45-T126 HydrophobicContact CD2-CG2 3.94Å; L45-P174 HydrophobicContact CD1-CG 3.74Å; L45-P174 HydrophobicContact CD2-CG 4.26Å | ||
| 46 | K | 56.2 | Low | 65.6 | Low | 197 Ų | 197 | 66.3 Ų | 66.3 | 86% | 0.857 | 39% | 0.392 | S | S | * | . | trans | -70.1 | 87.4 | 157.6 | -72.5 | -178.2 | -179 | 175.5 | 0 | 108.3 | E44 | E44-K46 PolarHBondContact O-N 3.19Š| ||
| 47 | S | 64.8 | Low | 66.7 | Low | 41 Ų | 41 | 64.8 Ų | 64.8 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -80 | 127.6 | 164.2 | 68.2 | 0 | 0 | 0 | 0 | 108.9 | L45 V105 | L45-S47 VanDerWaalsContact C-N 3.26Å; L45-S47 PolarHBondContact O-N 2.95Å; S47-V105 WeakPolarHBondContact OG-CG1 3.48Å |
| 48 | D | 71.6 | Confident | 67.5 | Low | 75 Ų | 75 | 64.7 Ų | 64.7 | 40% | 0.401 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.2 | 171.3 | -59.3 | -46 | 0 | 0 | 0 | 108.8 | T50 R108 S306 | D48-T50 WeakPolarHBondContact O-CG2 3.27Å; D48-T50 PolarHBondContact O-N 3.14Å; D48-R108 VanDerWaalsContact CB-NH2 3.32Å; D48-R108 IonicContact OD2-CZ 2.73Å; D48-R108 IonicContact OD2-NH2 3.95Å; D48-R108 PolarHBondContact OD2-NH2 2.56Å; D48-S306 WeakPolarHBondContact OD2-CB 3.15Å |
| 49 | P | 79.3 | Confident | 68 | Low | 77 Ų | 77 | 67.5 Ų | 67.5 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -46.1 | 136.2 | 169.9 | -31.5 | 37.8 | 0 | 0 | 0 | 111.7 | A76 L77 | P49-A76 WeakPolarHBondContact CA-O 3.4Å; P49-L77 HydrophobicContact CB-CD2 3.75Å; P49-L77 HydrophobicContact CG-CD2 3.81Å |
| 50 | T | 82.4 | Confident | 68.8 | Low | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 155 | 177.2 | 83.4 | 0 | 0 | 0 | 0 | 108.8 | D48 W74 R75 A76 R108 | D48-T50 WeakPolarHBondContact O-CG2 3.27Å; D48-T50 PolarHBondContact O-N 3.14Å; T50-W74 WeakPolarHBondContact OG1-CZ3 3.34Å; T50-R75 CarbonylContact O-C 3.57Å; T50-R75 WeakPolarHBondContact O-CA 3.39Å; T50-A76 PolarHBondContact N-O 3.09Å; T50-A76 VanDerWaalsContact N-O 3.1Å; T50-A76 PolarHBondContact O-N 2.75Å; T50-A76 WeakPolarHBondContact OG1-CB 3.25Å; T50-R108 HydrophobicContact CG2-CB 4.21Å; T50-R108 HydrophobicContact CG2-CG 3.24Å |
| 51 | S | 84.3 | Confident | 69.4 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 28% | 0.28 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 158.2 | -174.3 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | I18 W74 | I18-S51 WeakPolarHBondContact CG2-OG 3.37Å; S51-W74 VanDerWaalsContact C-CZ3 3.46Å; S51-W74 VanDerWaalsContact CA-O 3.24Å; S51-W74 WeakPolarHBondContact CA-O 3.44Å; S51-W74 WeakPolarHBondContact CB-O 3.1Å; S51-W74 WeakPolarHBondContact O-CH2 3.33Å |
| 52 | G | 84.5 | Confident | 70.2 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -173.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M73 W74 | G52-M73 WeakPolarHBondContact O-CA 3.36Å; G52-W74 VanDerWaalsContact CA-CZ2 3.44Å; G52-W74 VanDerWaalsContact N-CE2 3.31Å; G52-W74 VanDerWaalsContact N-CZ2 3.32Å; G52-W74 PolarHBondContact N-O 2.81Å; G52-W74 PolarHBondContact O-N 3.01Å |
| 53 | W | 86.2 | Confident | 71.3 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 166.4 | -178.1 | 65.2 | -88.8 | 0 | 0 | 0 | 110.3 | F10 L11 I18 I72 M73 | F10-W53 HydrophobicContact CD1-CD2 4.39Å; F10-W53 HydrophobicContact CD1-CE3 4.25Å; F10-W53 HydrophobicContact CD1-CH2 4.06Å; F10-W53 HydrophobicContact CD1-CZ2 4.22Å; F10-W53 HydrophobicContact CD1-CZ3 4.08Å; F10-W53 AromaticContact CE1-CD2 3.29Å; F10-W53 HydrophobicContact CE1-CD2 3.29Å; F10-W53 AromaticContact CE1-CE2 3.63Å; F10-W53 AromaticContact CE1-CE3 3.12Å; F10-W53 HydrophobicContact CE1-CE3 3.12Å; F10-W53 AromaticContact CE1-CG 3.92Å; F10-W53 HydrophobicContact CE1-CG 3.92Å; F10-W53 AromaticContact CE1-CH2 3.67Å; F10-W53 HydrophobicContact CE1-CH2 3.67Å; F10-W53 AromaticContact CE1-CZ2 3.83Å; F10-W53 HydrophobicContact CE1-CZ2 3.83Å; F10-W53 AromaticContact CE1-CZ3 3.32Å; F10-W53 HydrophobicContact CE1-CZ3 3.32Å; F10-W53 HydrophobicContact CE2-CE3 4.4Å; F10-W53 HydrophobicContact CE2-CZ3 4.48Å; F10-W53 AromaticContact CZ-CD2 3.76Å; F10-W53 HydrophobicContact CZ-CD2 3.76Å; F10-W53 AromaticContact CZ-CE3 3.21Å; F10-W53 HydrophobicContact CZ-CE3 3.21Å; F10-W53 HydrophobicContact CZ-CG 4.31Å; F10-W53 HydrophobicContact CZ-CH2 4.35Å; F10-W53 AromaticContact CZ-CZ3 3.57Å; F10-W53 HydrophobicContact CZ-CZ3 3.57Å; L11-W53 HydrophobicContact CD2-CZ2 3.87Å; I18-W53 HydrophobicContact CD1-CB 4.38Å; W53-I72 CarbonylContact C-O 3.49Å; W53-I72 WeakPolarHBondContact CA-O 3.24Å; W53-M73 HydrophobicContact CB-CG 4.42Å |
| 54 | F | 86.8 | Confident | 72.7 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.9 | 177.9 | 164.3 | -93.3 | 0 | 0 | 0 | 108 | Y56 F71 I72 I112 E114 L119 | F54-Y56 AromaticContact CE1-CD1 3.85Å; F54-Y56 HydrophobicContact CE1-CD1 3.85Å; F54-Y56 HydrophobicContact CE1-CD2 4.03Å; F54-Y56 AromaticContact CE1-CE1 3.95Å; F54-Y56 HydrophobicContact CE1-CE1 3.95Å; F54-Y56 HydrophobicContact CE1-CE2 4.12Å; F54-Y56 AromaticContact CE1-CG 3.91Å; F54-Y56 HydrophobicContact CE1-CG 3.91Å; F54-Y56 HydrophobicContact CZ-CD1 4.3Å; F54-Y56 HydrophobicContact CZ-CG 4.48Å; F54-F71 CarbonylContact O-C 3.46Å; F54-F71 WeakPolarHBondContact O-CA 3.24Å; F54-F71 WeakPolarHBondContact O-CB 3.35Å; F54-I72 HydrophobicContact CD1-CB 4.44Å; F54-I72 HydrophobicContact CD1-CD1 4.33Å; F54-I72 HydrophobicContact CD1-CG1 4.47Å; F54-I72 PolarHBondContact N-O 3.27Å; F54-I72 PolarHBondContact O-N 3.27Å; F54-I112 HydrophobicContact CB-CB 3.79Å; F54-I112 HydrophobicContact CB-CD1 4.03Å; F54-I112 HydrophobicContact CB-CG1 4.41Å; F54-I112 HydrophobicContact CB-CG2 4.15Å; F54-I112 HydrophobicContact CD1-CB 4.48Å; F54-I112 HydrophobicContact CD1-CG2 3.89Å; F54-I112 HydrophobicContact CD2-CB 4Å; F54-I112 HydrophobicContact CD2-CG2 3.83Å; F54-I112 WeakPolarHBondContact CD2-O 3.5Å; F54-I112 HydrophobicContact CE1-CG2 4.33Å; F54-I112 HydrophobicContact CE2-CG2 4.29Å; F54-I112 HydrophobicContact CG-CB 3.81Å; F54-I112 HydrophobicContact CG-CG2 3.64Å; F54-E114 HydrophobicContact CE2-CB 3.81Å; F54-E114 HydrophobicContact CZ-CB 3.66Å; F54-E114 HydrophobicContact CZ-CG 4.16Å; F54-E114 WeakPolarHBondContact CZ-OE2 3.39Å; F54-L119 HydrophobicContact CE1-CD2 3.87Å; F54-L119 HydrophobicContact CZ-CD2 3.82Å |
| 55 | S | 85.5 | Confident | 73.6 | Confident | 18 Ų | 18 | 66 Ų | 66 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.5 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 56 | Y | 85.8 | Confident | 74.2 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 144.5 | 177.1 | -70 | -91.1 | 0 | 0 | 0 | 111.4 | F54 N58 R70 I72 E85 L119 H136 P137 A149 | F54-Y56 AromaticContact CE1-CD1 3.85Å; F54-Y56 HydrophobicContact CE1-CD1 3.85Å; F54-Y56 HydrophobicContact CE1-CD2 4.03Å; F54-Y56 AromaticContact CE1-CE1 3.95Å; F54-Y56 HydrophobicContact CE1-CE1 3.95Å; F54-Y56 HydrophobicContact CE1-CE2 4.12Å; F54-Y56 AromaticContact CE1-CG 3.91Å; F54-Y56 HydrophobicContact CE1-CG 3.91Å; F54-Y56 HydrophobicContact CZ-CD1 4.3Å; F54-Y56 HydrophobicContact CZ-CG 4.48Å; Y56-N58 VanDerWaalsContact C-N 3.28Å; Y56-N58 PolarHBondContact O-N 3.49Å; Y56-R70 HydrophobicContact CD2-CB 3.99Å; Y56-R70 HydrophobicContact CD2-CG 3.8Å; Y56-R70 WeakPolarHBondContact CD2-O 3.22Å; Y56-R70 HydrophobicContact CE2-CB 4.44Å; Y56-R70 HydrophobicContact CE2-CG 3.74Å; Y56-R70 PolarHBondContact N-O 2.53Å; Y56-I72 HydrophobicContact CE2-CD1 4.44Å; Y56-I72 HydrophobicContact CE2-CG1 4.23Å; Y56-E85 WeakPolarHBondContact CE2-OE1 3.32Å; Y56-E85 PolarHBondContact OH-OE1 3.32Å; Y56-L119 HydrophobicContact CD1-CD2 4.33Å; Y56-L119 HydrophobicContact CE1-CD1 3.59Å; Y56-L119 HydrophobicContact CE1-CD2 3.83Å; Y56-L119 HydrophobicContact CE1-CG 4.21Å; Y56-L119 VanDerWaalsContact OH-CD1 3.24Å; Y56-L119 WeakPolarHBondContact OH-CD1 3.37Å; Y56-H136 AromaticContact CD1-NE2 3.63Å; Y56-P137 HydrophobicContact CD1-CG 4.28Å; Y56-P137 HydrophobicContact CE1-CG 3.67Å; Y56-A149 WeakPolarHBondContact OH-CB 3.23Å |
| 57 | G | 79.1 | Confident | 75.1 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 18.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D59 R60 I63 E114 | G57-D59 PolarHBondContact O-N 3.29Å; G57-R60 PolarHBondContact O-N 2.89Å; G57-I63 VanDerWaalsContact CA-CD1 3.43Å; G57-E114 PolarHBondContact N-OE1 3.09Å; G57-E114 PolarHBondContact N-OE2 3.18Å |
| 58 | N | 67.8 | Low | 75.4 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28 | -175.7 | -154.3 | 28.7 | 0 | 0 | 0 | 112.9 | Y56 | Y56-N58 VanDerWaalsContact C-N 3.28Å; Y56-N58 PolarHBondContact O-N 3.49Å |
| 59 | D | 65.2 | Low | 75.6 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 10.7 | 178.8 | -70.3 | -11.2 | 0 | 0 | 0 | 113.6 | G57 R255 | G57-D59 PolarHBondContact O-N 3.29Å; D59-R255 IonicContact OD2-CZ 2.85Å; D59-R255 IonicContact OD2-NH1 3.63Å; D59-R255 IonicContact OD2-NH2 3.86Å; D59-R255 PolarHBondContact OD2-NH2 3.29Å |
| 60 | R | 67.2 | Low | 75.8 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | trans | -122.8 | 127.4 | -169.2 | -68.8 | -173.3 | 68.2 | 166.6 | 7.8 | 112.5 | G57 D62 I63 D116 | G57-R60 PolarHBondContact O-N 2.89Å; R60-D62 WeakPolarHBondContact CB-OD1 3.2Å; R60-D62 IonicContact CZ-OD1 2.58Å; R60-D62 IonicContact CZ-OD2 2.7Å; R60-D62 IonicContact NE-OD1 3.2Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.92Å; R60-D62 IonicContact NH2-OD1 2.7Å; R60-D62 PolarHBondContact NH2-OD1 3.24Å; R60-D62 IonicContact NH2-OD2 2.65Å; R60-D62 PolarHBondContact NH2-OD2 3.43Å; R60-I63 HydrophobicContact CB-CB 4.35Å; R60-D116 IonicContact CZ-OD1 2.8Å; R60-D116 IonicContact NH1-OD1 3.49Å | ||
| 61 | T | 66.2 | Low | 76 | Confident | 147 Ų | 147 | 54.9 Ų | 54.9 | 90% | 0.902 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -86.3 | -18.1 | 174.3 | 54.6 | 0 | 0 | 0 | 0 | 113 | ||
| 62 | D | 68.4 | Low | 76.2 | Confident | 108 Ų | 108 | 53 Ų | 53 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -97.4 | 7.8 | -171.8 | 67.2 | -39.5 | 0 | 0 | 0 | 113.8 | R60 | R60-D62 WeakPolarHBondContact CB-OD1 3.2Å; R60-D62 IonicContact CZ-OD1 2.58Å; R60-D62 IonicContact CZ-OD2 2.7Å; R60-D62 IonicContact NE-OD1 3.2Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.92Å; R60-D62 IonicContact NH2-OD1 2.7Å; R60-D62 PolarHBondContact NH2-OD1 3.24Å; R60-D62 IonicContact NH2-OD2 2.65Å; R60-D62 PolarHBondContact NH2-OD2 3.43Å |
| 63 | I | 69.3 | Low | 76.4 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | trans | -80.3 | 136.4 | -176.6 | -152.6 | 171.9 | 0 | 0 | 0 | 111.8 | G57 R60 E65 F67 K68 | G57-I63 VanDerWaalsContact CA-CD1 3.43Å; R60-I63 HydrophobicContact CB-CB 4.35Å; I63-E65 PolarHBondContact O-N 3.06Å; I63-F67 HydrophobicContact CD1-CB 3.45Å; I63-F67 VanDerWaalsContact CD1-CB 3.45Å; I63-F67 HydrophobicContact CD1-CD2 4.31Å; I63-F67 HydrophobicContact CD1-CG 4.07Å; I63-F67 HydrophobicContact CG1-CB 3.76Å; I63-F67 HydrophobicContact CG1-CD2 4.02Å; I63-F67 HydrophobicContact CG1-CG 4.23Å; I63-K68 HydrophobicContact CG2-CD 4.47Å; I63-K68 HydrophobicContact CG2-CG 3.74Å | ||
| 64 | D | 70.4 | Confident | 76.6 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | trans | -51.2 | 135.7 | 172 | -172.2 | -23.8 | 0 | 0 | 0 | 109.5 | K66 F67 R145 | D64-K66 PolarHBondContact O-N 3.17Å; D64-K66 PolarHBondContact OD1-N 3.09Å; D64-F67 HydrophobicContact CB-CD2 3.88Å; D64-F67 HydrophobicContact CB-CE2 4.23Å; D64-F67 PolarHBondContact O-N 2.89Å; D64-R145 IonicContact OD2-NH1 3Å; D64-R145 PolarHBondContact OD2-NH1 3.34Å | ||
| 65 | E | 68.9 | Low | 76.7 | Confident | 142 Ų | 142 | 50.7 Ų | 50.7 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.2 | -27.3 | -178.1 | -66 | -166.9 | 153.5 | 0 | 0 | 112.5 | I63 F67 K68 | I63-E65 PolarHBondContact O-N 3.06Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 3.44Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 PolarHBondContact O-N 3.01Å; E65-K68 VanDerWaalsContact O-N 3.17Å |
| 66 | K | 67.6 | Low | 76.9 | Confident | 99 Ų | 99 | 50 Ų | 50 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 174.7 | -64.9 | -174 | 177.6 | -164.3 | 0 | 113 | D64 | D64-K66 PolarHBondContact O-N 3.17Å; D64-K66 PolarHBondContact OD1-N 3.09Å |
| 67 | F | 75.6 | Confident | 77 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -79.5 | -22.9 | 179.2 | -66.6 | -67.1 | 0 | 0 | 0 | 113.1 | I63 D64 E65 N69 R70 P137 V138 R145 | I63-F67 HydrophobicContact CD1-CB 3.45Å; I63-F67 VanDerWaalsContact CD1-CB 3.45Å; I63-F67 HydrophobicContact CD1-CD2 4.31Å; I63-F67 HydrophobicContact CD1-CG 4.07Å; I63-F67 HydrophobicContact CG1-CB 3.76Å; I63-F67 HydrophobicContact CG1-CD2 4.02Å; I63-F67 HydrophobicContact CG1-CG 4.23Å; D64-F67 HydrophobicContact CB-CD2 3.88Å; D64-F67 HydrophobicContact CB-CE2 4.23Å; D64-F67 PolarHBondContact O-N 2.89Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 3.44Å; F67-N69 PolarHBondContact O-N 3.39Å; F67-N69 VanDerWaalsContact O-N 3.15Å; F67-R70 PolarHBondContact O-N 2.74Å; F67-P137 HydrophobicContact CD1-CG 4.05Å; F67-P137 HydrophobicContact CE1-CB 3.65Å; F67-P137 HydrophobicContact CE1-CG 3.43Å; F67-P137 VanDerWaalsContact CE1-CG 3.43Å; F67-P137 HydrophobicContact CZ-CB 4.12Å; F67-P137 HydrophobicContact CZ-CG 4.2Å; F67-V138 HydrophobicContact CD2-CG2 3.83Å; F67-V138 HydrophobicContact CE2-CB 4.45Å; F67-V138 HydrophobicContact CE2-CG2 3.41Å; F67-V138 VanDerWaalsContact CE2-CG2 3.41Å; F67-V138 HydrophobicContact CZ-CG2 3.81Å; F67-R145 HydrophobicContact CZ-CG 4.48Å |
| 68 | K | 70.8 | Confident | 77.4 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -22.4 | 178.4 | -63 | -177.7 | -177.2 | 168.6 | 0 | 113 | I63 E65 | I63-K68 HydrophobicContact CG2-CD 4.47Å; I63-K68 HydrophobicContact CG2-CG 3.74Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 PolarHBondContact O-N 3.01Å; E65-K68 VanDerWaalsContact O-N 3.17Å |
| 69 | N | 75.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 0.6 | 177.9 | -70.3 | -48.2 | 0 | 0 | 0 | 113.4 | Q6 F67 S87 F88 T89 | Q6-N69 PolarHBondContact NE2-OD1 3.12Å; F67-N69 PolarHBondContact O-N 3.39Å; F67-N69 VanDerWaalsContact O-N 3.15Å; N69-S87 VanDerWaalsContact O-CA 3.25Å; N69-S87 WeakPolarHBondContact O-CA 3.38Å; N69-F88 HydrophobicContact CB-CB 4.11Å; N69-F88 HydrophobicContact CB-CD2 4.13Å; N69-F88 PolarHBondContact O-N 3.33Å; N69-T89 HydrophobicContact CB-CG2 4.15Å; N69-T89 VanDerWaalsContact ND2-CG2 3.33Å; N69-T89 WeakPolarHBondContact ND2-CG2 3.47Å |
| 70 | R | 84 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.5 | -174.7 | -173.1 | 168 | 167.7 | 170.4 | -0.2 | 110.3 | Y56 F67 E85 R86 I92 R145 F147 A149 | Y56-R70 HydrophobicContact CD2-CB 3.99Å; Y56-R70 HydrophobicContact CD2-CG 3.8Å; Y56-R70 WeakPolarHBondContact CD2-O 3.22Å; Y56-R70 HydrophobicContact CE2-CB 4.44Å; Y56-R70 HydrophobicContact CE2-CG 3.74Å; Y56-R70 PolarHBondContact N-O 2.53Å; F67-R70 PolarHBondContact O-N 2.74Å; R70-E85 HydrophobicContact CG-CG 4.38Å; R70-E85 IonicContact CZ-OE1 3.72Å; R70-E85 IonicContact CZ-OE2 3.92Å; R70-E85 VanDerWaalsContact NE-CD 3.31Å; R70-E85 IonicContact NE-OE1 3.79Å; R70-E85 PolarHBondContact NE-OE1 2.84Å; R70-E85 IonicContact NE-OE2 3.53Å; R70-E85 IonicContact NH2-OE1 3.68Å; R70-E85 PolarHBondContact NH2-OE1 2.86Å; R70-E85 IonicContact NH2-OE2 3.72Å; R70-E85 PolarHBondContact NH2-OE2 3.05Å; R70-R86 CarbonylContact C-O 3.5Å; R70-R86 VanDerWaalsContact CA-O 3.29Å; R70-R86 WeakPolarHBondContact CA-O 3.37Å; R70-I92 HydrophobicContact CG-CD1 3.7Å; R70-R145 PolarHBondContact NH1-O 2.8Å; R70-F147 PolarHBondContact NH1-O 2.85Å; R70-F147 PolarHBondContact NH2-O 2.78Å; R70-A149 VanDerWaalsContact NH2-N 3.2Å |
| 71 | F | 85.8 | Confident | 81 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 156.9 | -175.6 | 58.7 | -84.1 | 0 | 0 | 0 | 112.4 | F10 F54 M73 E85 R86 F88 | F10-F71 HydrophobicContact CD2-CD1 4.09Å; F10-F71 HydrophobicContact CD2-CE1 4.34Å; F10-F71 HydrophobicContact CD2-CG 4.31Å; F10-F71 HydrophobicContact CE2-CB 3.41Å; F10-F71 VanDerWaalsContact CE2-CB 3.41Å; F10-F71 AromaticContact CE2-CD1 3.38Å; F10-F71 HydrophobicContact CE2-CD1 3.38Å; F10-F71 AromaticContact CE2-CD2 3.72Å; F10-F71 HydrophobicContact CE2-CD2 3.72Å; F10-F71 AromaticContact CE2-CE1 3.96Å; F10-F71 HydrophobicContact CE2-CE1 3.96Å; F10-F71 HydrophobicContact CE2-CE2 4.25Å; F10-F71 AromaticContact CE2-CG 3.23Å; F10-F71 HydrophobicContact CE2-CG 3.23Å; F10-F71 HydrophobicContact CE2-CZ 4.35Å; F10-F71 HydrophobicContact CZ-CB 3.64Å; F10-F71 HydrophobicContact CZ-CD1 4.28Å; F10-F71 AromaticContact CZ-CD2 3.8Å; F10-F71 HydrophobicContact CZ-CD2 3.8Å; F10-F71 HydrophobicContact CZ-CE2 4.46Å; F10-F71 AromaticContact CZ-CG 3.68Å; F10-F71 HydrophobicContact CZ-CG 3.68Å; F54-F71 CarbonylContact O-C 3.46Å; F54-F71 WeakPolarHBondContact O-CA 3.24Å; F54-F71 WeakPolarHBondContact O-CB 3.35Å; F71-M73 HydrophobicContact CD2-CG 3.72Å; F71-M73 HydrophobicContact CD2-SD 4.35Å; F71-M73 HydrophobicContact CE2-CE 4.11Å; F71-M73 HydrophobicContact CE2-CG 3.71Å; F71-M73 HydrophobicContact CE2-SD 3.71Å; F71-E85 CarbonylContact O-C 3.53Å; F71-E85 VanDerWaalsContact O-CA 3.27Å; F71-E85 WeakPolarHBondContact O-CA 3.41Å; F71-R86 HydrophobicContact CD1-CB 4.43Å; F71-R86 WeakPolarHBondContact CD1-O 3.37Å; F71-R86 HydrophobicContact CD2-CB 4.42Å; F71-R86 HydrophobicContact CE1-CB 3.88Å; F71-R86 HydrophobicContact CE2-CB 3.85Å; F71-R86 HydrophobicContact CE2-CG 4.49Å; F71-R86 HydrophobicContact CZ-CB 3.57Å; F71-R86 HydrophobicContact CZ-CG 4.45Å; F71-R86 PolarHBondContact N-O 3.12Å; F71-R86 PolarHBondContact O-N 3.12Å; F71-F88 HydrophobicContact CD1-CZ 4.46Å; F71-F88 HydrophobicContact CE1-CD1 4.11Å; F71-F88 HydrophobicContact CE1-CD2 4.41Å; F71-F88 AromaticContact CE1-CE1 3.72Å; F71-F88 HydrophobicContact CE1-CE1 3.72Å; F71-F88 HydrophobicContact CE1-CE2 4.08Å; F71-F88 HydrophobicContact CE1-CG 4.44Å; F71-F88 AromaticContact CE1-CZ 3.7Å; F71-F88 HydrophobicContact CE1-CZ 3.7Å; F71-F88 HydrophobicContact CZ-CE1 4.02Å; F71-F88 HydrophobicContact CZ-CZ 4.19Å |
| 72 | I | 89 | Confident | 82.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.3 | 171.8 | -59.2 | 171.1 | 0 | 0 | 0 | 107.9 | W53 F54 Y56 L83 E84 E85 I112 L119 L150 | W53-I72 CarbonylContact C-O 3.49Å; W53-I72 WeakPolarHBondContact CA-O 3.24Å; F54-I72 HydrophobicContact CD1-CB 4.44Å; F54-I72 HydrophobicContact CD1-CD1 4.33Å; F54-I72 HydrophobicContact CD1-CG1 4.47Å; F54-I72 PolarHBondContact N-O 3.27Å; F54-I72 PolarHBondContact O-N 3.27Å; Y56-I72 HydrophobicContact CE2-CD1 4.44Å; Y56-I72 HydrophobicContact CE2-CG1 4.23Å; I72-L83 HydrophobicContact CG2-CB 4.44Å; I72-L83 HydrophobicContact CG2-CD2 4.22Å; I72-E84 CarbonylContact C-O 3.58Å; I72-E84 WeakPolarHBondContact CA-O 3.48Å; I72-E85 HydrophobicContact CG1-CB 4.05Å; I72-E85 HydrophobicContact CG1-CG 3.87Å; I72-I112 HydrophobicContact CB-CD1 4Å; I72-I112 HydrophobicContact CD1-CD1 4.31Å; I72-I112 HydrophobicContact CG2-CD1 3.66Å; I72-L119 HydrophobicContact CD1-CD1 3.97Å; I72-L150 HydrophobicContact CD1-CD2 4.23Å; I72-L150 HydrophobicContact CG2-CD2 4.48Å |
| 73 | M | 88.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 152.4 | 165.1 | -56.8 | 179.4 | -63.6 | 0 | 0 | 108.9 | L17 I18 F24 G52 W53 F71 L83 E84 R86 | L17-M73 HydrophobicContact CB-CE 4.18Å; L17-M73 HydrophobicContact CB-SD 3.83Å; L17-M73 HydrophobicContact CD1-CE 4.15Å; L17-M73 HydrophobicContact CD1-SD 4.12Å; I18-M73 HydrophobicContact CG1-SD 4.35Å; F24-M73 HydrophobicContact CE1-CB 4.42Å; F24-M73 HydrophobicContact CZ-CB 3.96Å; G52-M73 WeakPolarHBondContact O-CA 3.36Å; W53-M73 HydrophobicContact CB-CG 4.42Å; F71-M73 HydrophobicContact CD2-CG 3.72Å; F71-M73 HydrophobicContact CD2-SD 4.35Å; F71-M73 HydrophobicContact CE2-CE 4.11Å; F71-M73 HydrophobicContact CE2-CG 3.71Å; F71-M73 HydrophobicContact CE2-SD 3.71Å; M73-L83 CarbonylContact O-C 3.53Å; M73-L83 WeakPolarHBondContact O-CA 3.35Å; M73-E84 PolarHBondContact N-O 3.11Å; M73-E84 PolarHBondContact O-N 3.19Å; M73-R86 HydrophobicContact CE-CG 4.31Å |
| 74 | W | 90.7 | Very high | 84.3 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.9 | 172.7 | 61.5 | -99.3 | 0 | 0 | 0 | 111.3 | T50 S51 G52 A76 L81 L82 L83 T110 | T50-W74 WeakPolarHBondContact OG1-CZ3 3.34Å; S51-W74 VanDerWaalsContact C-CZ3 3.46Å; S51-W74 VanDerWaalsContact CA-O 3.24Å; S51-W74 WeakPolarHBondContact CA-O 3.44Å; S51-W74 WeakPolarHBondContact CB-O 3.1Å; S51-W74 WeakPolarHBondContact O-CH2 3.33Å; G52-W74 VanDerWaalsContact CA-CZ2 3.44Å; G52-W74 VanDerWaalsContact N-CE2 3.31Å; G52-W74 VanDerWaalsContact N-CZ2 3.32Å; G52-W74 PolarHBondContact N-O 2.81Å; G52-W74 PolarHBondContact O-N 3.01Å; W74-A76 HydrophobicContact CZ3-CB 4.43Å; W74-L81 HydrophobicContact CB-CD1 4.18Å; W74-L81 HydrophobicContact CD2-CD1 4.37Å; W74-L81 HydrophobicContact CE3-CD1 3.8Å; W74-L82 CarbonylContact C-O 3.52Å; W74-L82 WeakPolarHBondContact CA-O 2.95Å; W74-L82 WeakPolarHBondContact CB-O 3.42Å; W74-L83 HydrophobicContact CB-CD2 4.15Å; W74-L83 HydrophobicContact CB-CG 3.97Å; W74-T110 HydrophobicContact CD2-CG2 3.95Å; W74-T110 HydrophobicContact CE3-CG2 4.2Å; W74-T110 HydrophobicContact CG-CG2 4.4Å; W74-T110 HydrophobicContact CZ2-CG2 4.27Å; W74-T110 WeakPolarHBondContact CZ2-O 3.35Å; W74-T110 HydrophobicContact CZ3-CG2 4.47Å |
| 75 | R | 88.5 | Confident | 85.1 | Confident | 35 Ų | 35 | 27.7 Ų | 27.7 | 13% | 0.132 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 125 | 176.6 | -171.2 | 175.9 | 178.8 | 157.3 | -6.6 | 110.7 | I18 C19 F24 T50 L77 L81 L82 | I18-R75 PolarHBondContact O-NH1 2.75Å; I18-R75 VanDerWaalsContact O-NH1 3.13Å; C19-R75 VanDerWaalsContact C-NH1 3.27Å; C19-R75 PolarHBondContact O-NH1 2.79Å; F24-R75 HydrophobicContact CE2-CB 3.95Å; F24-R75 HydrophobicContact CZ-CB 3.96Å; T50-R75 CarbonylContact O-C 3.57Å; T50-R75 WeakPolarHBondContact O-CA 3.39Å; R75-L77 HydrophobicContact CG-CD2 4.29Å; R75-L77 HydrophobicContact CG-CG 4.11Å; R75-L81 WeakPolarHBondContact O-CA 2.93Å; R75-L82 PolarHBondContact N-O 2.88Å; R75-L82 PolarHBondContact O-N 3.35Å |
| 76 | A | 89.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | P49 T50 W74 D80 L81 V106 | P49-A76 WeakPolarHBondContact CA-O 3.4Å; T50-A76 PolarHBondContact N-O 3.09Å; T50-A76 VanDerWaalsContact N-O 3.1Å; T50-A76 PolarHBondContact O-N 2.75Å; T50-A76 WeakPolarHBondContact OG1-CB 3.25Å; W74-A76 HydrophobicContact CZ3-CB 4.43Å; A76-D80 CarbonylContact C-O 3.55Å; A76-D80 WeakPolarHBondContact CA-O 3.43Å; A76-L81 HydrophobicContact CB-CD1 4.17Å; A76-V106 HydrophobicContact CB-CB 3.92Å; A76-V106 HydrophobicContact CB-CG1 3.61Å |
| 77 | L | 87.7 | Confident | 86.3 | Confident | 56 Ų | 56 | 17 Ų | 17 | 29% | 0.293 | 9% | 0.086 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 86.6 | -179.6 | -67.9 | 176.8 | 0 | 0 | 0 | 108.5 | P49 R75 Q79 D80 L82 | P49-L77 HydrophobicContact CB-CD2 3.75Å; P49-L77 HydrophobicContact CG-CD2 3.81Å; R75-L77 HydrophobicContact CG-CD2 4.29Å; R75-L77 HydrophobicContact CG-CG 4.11Å; L77-Q79 PolarHBondContact O-N 3.48Å; L77-D80 PolarHBondContact N-O 3.43Å; L77-D80 PolarHBondContact O-N 3.05Å; L77-L82 HydrophobicContact CD1-CD1 4.05Å |
| 78 | G | 88.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 18.8 Ų | 18.8 | 22% | 0.216 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -107.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | V105 V106 | G78-V105 WeakPolarHBondContact O-CA 3.36Å; G78-V106 PolarHBondContact O-N 2.69Å |
| 79 | Q | 90.9 | Very high | 86.3 | Confident | 35 Ų | 35 | 18.7 Ų | 18.7 | 16% | 0.164 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -13.8 | -179.6 | -57.6 | -167.1 | -28.3 | 0 | 0 | 114.3 | L42 L77 R100 F101 E104 | L42-Q79 HydrophobicContact CD2-CG 3.91Å; L77-Q79 PolarHBondContact O-N 3.48Å; Q79-R100 WeakPolarHBondContact O-CA 3.21Å; Q79-F101 WeakPolarHBondContact CB-O 3.18Å; Q79-F101 WeakPolarHBondContact O-CD2 3.14Å; Q79-F101 PolarHBondContact O-N 2.86Å; Q79-E104 WeakPolarHBondContact CA-O 3.33Å; Q79-E104 WeakPolarHBondContact CG-O 3.44Å |
| 80 | D | 91.6 | Very high | 86.2 | Confident | 34 Ų | 34 | 19.2 Ų | 19.2 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.2 | -174.1 | -70 | -39 | 0 | 0 | 0 | 110.1 | A76 L77 L99 R100 | A76-D80 CarbonylContact C-O 3.55Å; A76-D80 WeakPolarHBondContact CA-O 3.43Å; L77-D80 PolarHBondContact N-O 3.43Å; L77-D80 PolarHBondContact O-N 3.05Å; D80-L99 CarbonylContact C-O 3.54Å; D80-L99 WeakPolarHBondContact CA-O 3.46Å; D80-R100 WeakPolarHBondContact OD1-CB 3.47Å; D80-R100 WeakPolarHBondContact OD1-CG 3.18Å; D80-R100 IonicContact OD1-CZ 3.23Å; D80-R100 IonicContact OD1-NE 2.76Å; D80-R100 PolarHBondContact OD1-NE 2.92Å; D80-R100 IonicContact OD1-NH2 3.45Å; D80-R100 PolarHBondContact OD1-NH2 2.95Å; D80-R100 IonicContact OD2-CZ 3.89Å; D80-R100 IonicContact OD2-NE 2.71Å; D80-R100 IonicContact OD2-NH2 3.29Å; D80-R100 PolarHBondContact OD2-NH2 3.13Å |
| 81 | L | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.6 | 166.3 | 179 | 65.4 | 0 | 0 | 0 | 108.4 | W74 R75 A76 L83 L99 F101 V106 T110 L121 V123 | W74-L81 HydrophobicContact CB-CD1 4.18Å; W74-L81 HydrophobicContact CD2-CD1 4.37Å; W74-L81 HydrophobicContact CE3-CD1 3.8Å; R75-L81 WeakPolarHBondContact O-CA 2.93Å; A76-L81 HydrophobicContact CB-CD1 4.17Å; L81-L83 HydrophobicContact CD2-CD1 4.13Å; L81-L83 HydrophobicContact CG-CD1 3.89Å; L81-L83 HydrophobicContact CG-CG 4.41Å; L81-L99 HydrophobicContact CB-CB 4.31Å; L81-L99 HydrophobicContact CD2-CD1 4.34Å; L81-L99 PolarHBondContact N-O 2.92Å; L81-L99 PolarHBondContact O-N 2.87Å; L81-F101 HydrophobicContact CB-CE2 3.88Å; L81-V106 HydrophobicContact CB-CG2 4.42Å; L81-T110 HydrophobicContact CD1-CG2 4.34Å; L81-T110 HydrophobicContact CD2-CG2 4.16Å; L81-L121 HydrophobicContact CD2-CD1 4.39Å; L81-L121 HydrophobicContact CD2-CD2 4.27Å; L81-V123 HydrophobicContact CD2-CG1 4.29Å; L81-V123 HydrophobicContact CD2-CG2 3.6Å |
| 82 | L | 92.3 | Very high | 85.4 | Confident | 19 Ų | 19 | 21.9 Ų | 21.9 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.8 | 176 | -52.5 | -179.3 | 0 | 0 | 0 | 108.3 | F24 W74 R75 L77 | F24-L82 HydrophobicContact CD1-CB 3.89Å; F24-L82 HydrophobicContact CE1-CB 4.25Å; F24-L82 HydrophobicContact CG-CB 4.33Å; W74-L82 CarbonylContact C-O 3.52Å; W74-L82 WeakPolarHBondContact CA-O 2.95Å; W74-L82 WeakPolarHBondContact CB-O 3.42Å; R75-L82 PolarHBondContact N-O 2.88Å; R75-L82 PolarHBondContact O-N 3.35Å; L77-L82 HydrophobicContact CD1-CD1 4.05Å |
| 83 | L | 92.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142 | 173.5 | -60.4 | 101.3 | 0 | 0 | 0 | 109.3 | I72 M73 W74 L81 S96 L97 L99 I112 L121 L150 | I72-L83 HydrophobicContact CG2-CB 4.44Å; I72-L83 HydrophobicContact CG2-CD2 4.22Å; M73-L83 CarbonylContact O-C 3.53Å; M73-L83 WeakPolarHBondContact O-CA 3.35Å; W74-L83 HydrophobicContact CB-CD2 4.15Å; W74-L83 HydrophobicContact CB-CG 3.97Å; L81-L83 HydrophobicContact CD2-CD1 4.13Å; L81-L83 HydrophobicContact CG-CD1 3.89Å; L81-L83 HydrophobicContact CG-CG 4.41Å; L83-S96 CarbonylContact O-C 3.51Å; L83-S96 VanDerWaalsContact O-CA 3.24Å; L83-S96 WeakPolarHBondContact O-CA 3.34Å; L83-S96 WeakPolarHBondContact O-CB 3.41Å; L83-L97 HydrophobicContact CB-CB 4.37Å; L83-L97 HydrophobicContact CD1-CB 4.5Å; L83-L97 HydrophobicContact CD1-CD2 4.12Å; L83-L97 HydrophobicContact CD1-CG 4.26Å; L83-L97 PolarHBondContact N-O 3.41Å; L83-L97 PolarHBondContact O-N 2.8Å; L83-L99 HydrophobicContact CD1-CD1 3.98Å; L83-L99 HydrophobicContact CD1-CG 4.11Å; L83-I112 HydrophobicContact CD2-CD1 4.31Å; L83-L121 HydrophobicContact CD1-CD2 4.13Å; L83-L121 HydrophobicContact CD2-CD1 4.07Å; L83-L121 HydrophobicContact CD2-CD2 3.64Å; L83-L121 HydrophobicContact CD2-CG 4.46Å; L83-L150 HydrophobicContact CB-CD1 3.88Å; L83-L150 HydrophobicContact CB-CD2 4.15Å; L83-L150 HydrophobicContact CD2-CD2 4.2Å |
| 84 | E | 88.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 128.1 | 172.4 | -168.4 | -173.8 | 162.8 | 0 | 0 | 110.7 | F24 R25 I72 M73 R86 G95 | F24-E84 VanDerWaalsContact CA-OE2 3.28Å; F24-E84 WeakPolarHBondContact CA-OE2 3.43Å; F24-E84 HydrophobicContact CD1-CB 3.58Å; F24-E84 HydrophobicContact CE1-CB 3.76Å; F24-E84 HydrophobicContact CG-CB 4.49Å; R25-E84 HydrophobicContact CB-CG 4.35Å; R25-E84 WeakPolarHBondContact CD-OE1 3.28Å; R25-E84 VanDerWaalsContact CG-OE1 3.29Å; R25-E84 WeakPolarHBondContact CG-OE1 2.97Å; R25-E84 IonicContact CZ-OE1 3.13Å; R25-E84 PolarHBondContact N-OE2 3.22Å; R25-E84 IonicContact NE-OE1 3.93Å; R25-E84 PolarHBondContact NE-OE1 3Å; R25-E84 IonicContact NH2-OE1 2.8Å; I72-E84 CarbonylContact C-O 3.58Å; I72-E84 WeakPolarHBondContact CA-O 3.48Å; M73-E84 PolarHBondContact N-O 3.11Å; M73-E84 PolarHBondContact O-N 3.19Å; E84-R86 VanDerWaalsContact CD-NH2 3.26Å; E84-R86 HydrophobicContact CG-CG 4.3Å; E84-R86 IonicContact OE1-CZ 2.66Å; E84-R86 VanDerWaalsContact OE1-CZ 3.29Å; E84-R86 IonicContact OE1-NE 3.88Å; E84-R86 PolarHBondContact OE1-NE 3.07Å; E84-R86 IonicContact OE1-NH2 3.81Å; E84-R86 PolarHBondContact OE1-NH2 3.48Å; E84-R86 IonicContact OE2-CZ 3.82Å; E84-R86 IonicContact OE2-NE 2.89Å; E84-R86 PolarHBondContact OE2-NE 3.05Å; E84-R86 IonicContact OE2-NH2 2.74Å; E84-R86 PolarHBondContact OE2-NH2 2.76Å; E84-G95 CarbonylContact C-O 3.55Å; E84-G95 VanDerWaalsContact CA-O 3.29Å; E84-G95 WeakPolarHBondContact CA-O 3.09Å |
| 85 | E | 87.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.1 | 172.6 | -168 | 166.4 | -155.8 | 0 | 0 | 111 | R25 Y56 R70 F71 I72 I92 G95 S148 A149 L150 | R25-E85 PolarHBondContact NH2-O 3.38Å; Y56-E85 WeakPolarHBondContact CE2-OE1 3.32Å; Y56-E85 PolarHBondContact OH-OE1 3.32Å; R70-E85 HydrophobicContact CG-CG 4.38Å; R70-E85 IonicContact CZ-OE1 3.72Å; R70-E85 IonicContact CZ-OE2 3.92Å; R70-E85 VanDerWaalsContact NE-CD 3.31Å; R70-E85 IonicContact NE-OE1 3.79Å; R70-E85 PolarHBondContact NE-OE1 2.84Å; R70-E85 IonicContact NE-OE2 3.53Å; R70-E85 IonicContact NH2-OE1 3.68Å; R70-E85 PolarHBondContact NH2-OE1 2.86Å; R70-E85 IonicContact NH2-OE2 3.72Å; R70-E85 PolarHBondContact NH2-OE2 3.05Å; F71-E85 CarbonylContact O-C 3.53Å; F71-E85 VanDerWaalsContact O-CA 3.27Å; F71-E85 WeakPolarHBondContact O-CA 3.41Å; I72-E85 HydrophobicContact CG1-CB 4.05Å; I72-E85 HydrophobicContact CG1-CG 3.87Å; E85-I92 HydrophobicContact CG-CD1 3.81Å; E85-I92 HydrophobicContact CG-CG2 4.35Å; E85-G95 PolarHBondContact N-O 2.84Å; E85-S148 WeakPolarHBondContact OE2-CA 3.47Å; E85-S148 PolarHBondContact OE2-OG 2.88Å; E85-A149 PolarHBondContact OE2-N 3.31Å; E85-L150 HydrophobicContact CB-CD1 4.03Å; E85-L150 HydrophobicContact CB-CG 4.4Å |
| 86 | R | 81.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.5 | 179.3 | -67.3 | -167.8 | 178.8 | -179.5 | 6.9 | 111 | A23 R70 F71 M73 E84 | A23-R86 PolarHBondContact O-NH2 3.17Å; R70-R86 CarbonylContact C-O 3.5Å; R70-R86 VanDerWaalsContact CA-O 3.29Å; R70-R86 WeakPolarHBondContact CA-O 3.37Å; F71-R86 HydrophobicContact CD1-CB 4.43Å; F71-R86 WeakPolarHBondContact CD1-O 3.37Å; F71-R86 HydrophobicContact CD2-CB 4.42Å; F71-R86 HydrophobicContact CE1-CB 3.88Å; F71-R86 HydrophobicContact CE2-CB 3.85Å; F71-R86 HydrophobicContact CE2-CG 4.49Å; F71-R86 HydrophobicContact CZ-CB 3.57Å; F71-R86 HydrophobicContact CZ-CG 4.45Å; F71-R86 PolarHBondContact N-O 3.12Å; F71-R86 PolarHBondContact O-N 3.12Å; M73-R86 HydrophobicContact CE-CG 4.31Å; E84-R86 VanDerWaalsContact CD-NH2 3.26Å; E84-R86 HydrophobicContact CG-CG 4.3Å; E84-R86 IonicContact OE1-CZ 2.66Å; E84-R86 VanDerWaalsContact OE1-CZ 3.29Å; E84-R86 IonicContact OE1-NE 3.88Å; E84-R86 PolarHBondContact OE1-NE 3.07Å; E84-R86 IonicContact OE1-NH2 3.81Å; E84-R86 PolarHBondContact OE1-NH2 3.48Å; E84-R86 IonicContact OE2-CZ 3.82Å; E84-R86 IonicContact OE2-NE 2.89Å; E84-R86 PolarHBondContact OE2-NE 3.05Å; E84-R86 IonicContact OE2-NH2 2.74Å; E84-R86 PolarHBondContact OE2-NH2 2.76Å |
| 87 | S | 79.2 | Confident | 84.2 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.9 | 165.4 | 171.8 | 0 | 0 | 0 | 0 | 110 | N69 T89 E90 | N69-S87 VanDerWaalsContact O-CA 3.25Å; N69-S87 WeakPolarHBondContact O-CA 3.38Å; S87-T89 PolarHBondContact OG-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.99Å; S87-E90 WeakPolarHBondContact CB-O 3.37Å; S87-E90 WeakPolarHBondContact OG-CG 3.19Å |
| 88 | F | 73.7 | Confident | 84.5 | Confident | 39 Ų | 39 | 24.4 Ų | 24.4 | 17% | 0.171 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -74.8 | -15.2 | 173.3 | -60.6 | -55.4 | 0 | 0 | 0 | 113.7 | F10 N69 F71 V428 | F10-F88 HydrophobicContact CB-CE2 4.15Å; F10-F88 HydrophobicContact CB-CZ 3.99Å; F10-F88 AromaticContact CD2-CE2 3.57Å; F10-F88 HydrophobicContact CD2-CE2 3.57Å; F10-F88 AromaticContact CD2-CZ 3.54Å; F10-F88 HydrophobicContact CD2-CZ 3.54Å; F10-F88 HydrophobicContact CE2-CE2 4.47Å; F10-F88 HydrophobicContact CE2-CZ 4.4Å; F10-F88 HydrophobicContact CG-CE2 4.36Å; F10-F88 HydrophobicContact CG-CZ 4.16Å; N69-F88 HydrophobicContact CB-CB 4.11Å; N69-F88 HydrophobicContact CB-CD2 4.13Å; N69-F88 PolarHBondContact O-N 3.33Å; F71-F88 HydrophobicContact CD1-CZ 4.46Å; F71-F88 HydrophobicContact CE1-CD1 4.11Å; F71-F88 HydrophobicContact CE1-CD2 4.41Å; F71-F88 AromaticContact CE1-CE1 3.72Å; F71-F88 HydrophobicContact CE1-CE1 3.72Å; F71-F88 HydrophobicContact CE1-CE2 4.08Å; F71-F88 HydrophobicContact CE1-CG 4.44Å; F71-F88 AromaticContact CE1-CZ 3.7Å; F71-F88 HydrophobicContact CE1-CZ 3.7Å; F71-F88 HydrophobicContact CZ-CE1 4.02Å; F71-F88 HydrophobicContact CZ-CZ 4.19Å; F88-V428 HydrophobicContact CB-CG2 4.25Å; F88-V428 HydrophobicContact CD1-CB 4.31Å; F88-V428 HydrophobicContact CD1-CG1 3.62Å; F88-V428 HydrophobicContact CD1-CG2 3.67Å; F88-V428 HydrophobicContact CE1-CG1 3.71Å; F88-V428 HydrophobicContact CG-CG2 4.44Å |
| 89 | T | 71.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 23.4 Ų | 23.4 | 53% | 0.528 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -115.1 | -19.6 | -171.2 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | N69 S87 | N69-T89 HydrophobicContact CB-CG2 4.15Å; N69-T89 VanDerWaalsContact ND2-CG2 3.33Å; N69-T89 WeakPolarHBondContact ND2-CG2 3.47Å; S87-T89 PolarHBondContact OG-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.99Å |
| 90 | E | 73.7 | Confident | 84.8 | Confident | 35 Ų | 35 | 25.7 Ų | 25.7 | 16% | 0.164 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -146.9 | 150.2 | -174 | 55.2 | -173.9 | 166.6 | 0 | 0 | 110.6 | S87 | S87-E90 WeakPolarHBondContact CB-O 3.37Å; S87-E90 WeakPolarHBondContact OG-CG 3.19Å |
| 91 | D | 74.8 | Confident | 84.8 | Confident | 56 Ų | 56 | 24.1 Ų | 24.1 | 30% | 0.299 | 13% | 0.126 | S | C | . | . | trans | -75.6 | 141.1 | 170.6 | -75.9 | -42.3 | 0 | 0 | 0 | 110.4 | P93 R455 | D91-P93 WeakPolarHBondContact O-CD 3.45Å; D91-R455 WeakPolarHBondContact OD1-CD 3.48Å; D91-R455 IonicContact OD1-NE 2.67Å; D91-R455 PolarHBondContact OD1-NE 3.15Å; D91-R455 VanDerWaalsContact OD1-NE 3.16Å; D91-R455 WeakPolarHBondContact OD2-CB 3.24Å | ||
| 92 | I | 79.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | trans | -115.2 | 94.2 | 179.7 | -57.2 | -177.9 | 0 | 0 | 0 | 107.9 | R25 R70 E85 G95 | R25-I92 PolarHBondContact NH1-O 2.81Å; R25-I92 PolarHBondContact NH2-O 2.98Å; R70-I92 HydrophobicContact CG-CD1 3.7Å; E85-I92 HydrophobicContact CG-CD1 3.81Å; E85-I92 HydrophobicContact CG-CG2 4.35Å; I92-G95 PolarHBondContact O-N 2.79Å | ||
| 93 | P | 76.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 27.1 Ų | 27.1 | 33% | 0.331 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 150.1 | 175.1 | 26 | -35.7 | 0 | 0 | 0 | 111.4 | D91 G95 S146 S148 | D91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-G95 PolarHBondContact O-N 2.89Å; P93-S146 WeakPolarHBondContact CD-O 3.45Å; P93-S148 WeakPolarHBondContact O-CB 3.17Å |
| 94 | L | 79.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 27.3 Ų | 27.3 | 46% | 0.455 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36 | -176.3 | -56.6 | 174.1 | 0 | 0 | 0 | 112.1 | S96 S148 | L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 2.86Å; L94-S148 WeakPolarHBondContact O-CB 3.3Å; L94-S148 PolarHBondContact O-OG 2.79Å |
| 95 | G | 85.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -84.9 | 4.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E84 E85 I92 P93 L150 | E84-G95 CarbonylContact C-O 3.55Å; E84-G95 VanDerWaalsContact CA-O 3.29Å; E84-G95 WeakPolarHBondContact CA-O 3.09Å; E85-G95 PolarHBondContact N-O 2.84Å; I92-G95 PolarHBondContact O-N 2.79Å; P93-G95 PolarHBondContact O-N 2.89Å; G95-L150 WeakPolarHBondContact O-CD1 3.41Å | ||
| 96 | S | 88.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 164.6 | 171 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | R25 D27 G28 L83 L94 | R25-S96 WeakPolarHBondContact O-CB 3.29Å; R25-S96 PolarHBondContact O-OG 3.4Å; R25-S96 VanDerWaalsContact O-OG 3.04Å; D27-S96 PolarHBondContact N-OG 2.86Å; D27-S96 VanDerWaalsContact N-OG 3.11Å; D27-S96 WeakPolarHBondContact OD1-CB 3.41Å; D27-S96 PolarHBondContact OD1-N 2.96Å; D27-S96 PolarHBondContact OD1-OG 2.96Å; G28-S96 WeakPolarHBondContact CA-O 3.46Å; G28-S96 WeakPolarHBondContact CA-OG 3.1Å; G28-S96 PolarHBondContact N-OG 2.91Å; L83-S96 CarbonylContact O-C 3.51Å; L83-S96 VanDerWaalsContact O-CA 3.24Å; L83-S96 WeakPolarHBondContact O-CA 3.34Å; L83-S96 WeakPolarHBondContact O-CB 3.41Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 2.86Å |
| 97 | L | 91.3 | Very high | 85 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 132.9 | 176.9 | 170.1 | 66.7 | 0 | 0 | 0 | 108.7 | P29 L31 L83 L99 L150 L153 | P29-L97 HydrophobicContact CG-CD1 3.89Å; L31-L97 HydrophobicContact CD1-CD1 3.77Å; L31-L97 HydrophobicContact CG-CD1 4.16Å; L83-L97 HydrophobicContact CB-CB 4.37Å; L83-L97 HydrophobicContact CD1-CB 4.5Å; L83-L97 HydrophobicContact CD1-CD2 4.12Å; L83-L97 HydrophobicContact CD1-CG 4.26Å; L83-L97 PolarHBondContact N-O 3.41Å; L83-L97 PolarHBondContact O-N 2.8Å; L97-L99 HydrophobicContact CD1-CD2 3.81Å; L97-L99 HydrophobicContact CD2-CD1 4.43Å; L97-L99 HydrophobicContact CD2-CD2 3.96Å; L97-L99 HydrophobicContact CD2-CG 4.19Å; L97-L99 HydrophobicContact CG-CD2 3.86Å; L97-L99 HydrophobicContact CG-CG 4.1Å; L97-L150 HydrophobicContact CB-CB 4.06Å; L97-L150 HydrophobicContact CB-CD1 4.19Å; L97-L150 HydrophobicContact CD2-CB 4.41Å; L97-L150 HydrophobicContact CD2-CD2 4.25Å; L97-L153 HydrophobicContact CD1-CD2 4.28Å; L97-L153 HydrophobicContact CD2-CD2 3.49Å; L97-L153 VanDerWaalsContact CD2-CD2 3.49Å |
| 98 | S | 92.2 | Very high | 85.5 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.9 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | P29 K30 L31 | P29-S98 PolarHBondContact O-N 2.97Å; K30-S98 CarbonylContact C-O 3.46Å; K30-S98 VanDerWaalsContact CA-O 3.31Å; K30-S98 WeakPolarHBondContact CA-O 3.19Å; L31-S98 PolarHBondContact N-O 2.77Å |
| 99 | L | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.9 | 174.3 | -56.9 | -179.1 | 0 | 0 | 0 | 108.6 | L31 L33 D80 L81 L83 L97 F101 L121 I132 L153 I158 | L31-L99 HydrophobicContact CB-CD2 3.92Å; L31-L99 HydrophobicContact CD1-CD2 4.25Å; L31-L99 HydrophobicContact CG-CD2 4.47Å; L31-L99 WeakPolarHBondContact O-CA 3.13Å; L33-L99 HydrophobicContact CD1-CB 3.87Å; L33-L99 HydrophobicContact CD1-CD2 4.03Å; L33-L99 HydrophobicContact CD1-CG 4.41Å; D80-L99 CarbonylContact C-O 3.54Å; D80-L99 WeakPolarHBondContact CA-O 3.46Å; L81-L99 HydrophobicContact CB-CB 4.31Å; L81-L99 HydrophobicContact CD2-CD1 4.34Å; L81-L99 PolarHBondContact N-O 2.92Å; L81-L99 PolarHBondContact O-N 2.87Å; L83-L99 HydrophobicContact CD1-CD1 3.98Å; L83-L99 HydrophobicContact CD1-CG 4.11Å; L97-L99 HydrophobicContact CD1-CD2 3.81Å; L97-L99 HydrophobicContact CD2-CD1 4.43Å; L97-L99 HydrophobicContact CD2-CD2 3.96Å; L97-L99 HydrophobicContact CD2-CG 4.19Å; L97-L99 HydrophobicContact CG-CD2 3.86Å; L97-L99 HydrophobicContact CG-CG 4.1Å; L99-F101 HydrophobicContact CB-CE2 4.15Å; L99-F101 HydrophobicContact CB-CZ 4.31Å; L99-L121 HydrophobicContact CD1-CD2 3.93Å; L99-I132 HydrophobicContact CD1-CD1 3.41Å; L99-I132 VanDerWaalsContact CD1-CD1 3.41Å; L99-L153 HydrophobicContact CD2-CD2 4.15Å; L99-I158 HydrophobicContact CD2-CD1 4.25Å |
| 100 | R | 92.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 25.5 Ų | 25.5 | 32% | 0.317 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.3 | 176.5 | 175.6 | 166.7 | -70.6 | -168.1 | -11.5 | 110.2 | L31 I32 L33 Q79 D80 | L31-R100 PolarHBondContact O-N 2.81Å; I32-R100 CarbonylContact C-O 3.53Å; I32-R100 WeakPolarHBondContact CA-O 3.08Å; L33-R100 PolarHBondContact N-O 3.49Å; Q79-R100 WeakPolarHBondContact O-CA 3.21Å; D80-R100 WeakPolarHBondContact OD1-CB 3.47Å; D80-R100 WeakPolarHBondContact OD1-CG 3.18Å; D80-R100 IonicContact OD1-CZ 3.23Å; D80-R100 IonicContact OD1-NE 2.76Å; D80-R100 PolarHBondContact OD1-NE 2.92Å; D80-R100 IonicContact OD1-NH2 3.45Å; D80-R100 PolarHBondContact OD1-NH2 2.95Å; D80-R100 IonicContact OD2-CZ 3.89Å; D80-R100 IonicContact OD2-NE 2.71Å; D80-R100 IonicContact OD2-NH2 3.29Å; D80-R100 PolarHBondContact OD2-NH2 3.13Å |
| 101 | F | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.7 | 177.3 | -57.1 | -89.8 | 0 | 0 | 0 | 110 | L33 Q79 L81 L99 N103 E104 V106 V123 T125 Y130 | L33-F101 HydrophobicContact CB-CD1 3.85Å; L33-F101 HydrophobicContact CB-CE1 4.16Å; L33-F101 HydrophobicContact CD1-CE1 4.22Å; L33-F101 HydrophobicContact CD1-CZ 4.49Å; L33-F101 HydrophobicContact CD2-CD1 4.42Å; L33-F101 HydrophobicContact CD2-CE1 3.89Å; L33-F101 HydrophobicContact CG-CE1 4.33Å; Q79-F101 WeakPolarHBondContact CB-O 3.18Å; Q79-F101 WeakPolarHBondContact O-CD2 3.14Å; Q79-F101 PolarHBondContact O-N 2.86Å; L81-F101 HydrophobicContact CB-CE2 3.88Å; L99-F101 HydrophobicContact CB-CE2 4.15Å; L99-F101 HydrophobicContact CB-CZ 4.31Å; F101-N103 PolarHBondContact O-N 2.77Å; F101-E104 HydrophobicContact CB-CB 3.94Å; F101-E104 PolarHBondContact O-N 3.09Å; F101-V106 HydrophobicContact CD2-CG2 3.35Å; F101-V106 HydrophobicContact CE2-CG2 3.52Å; F101-V106 HydrophobicContact CG-CG2 4.3Å; F101-V123 HydrophobicContact CE1-CG1 4.41Å; F101-V123 HydrophobicContact CE2-CG1 4.15Å; F101-V123 HydrophobicContact CZ-CB 4.23Å; F101-V123 HydrophobicContact CZ-CG1 3.77Å; F101-V123 HydrophobicContact CZ-CG2 4.42Å; F101-T125 HydrophobicContact CB-CG2 4.06Å; F101-T125 HydrophobicContact CD1-CG2 3.71Å; F101-T125 HydrophobicContact CD2-CG2 4.33Å; F101-T125 HydrophobicContact CE1-CG2 4.22Å; F101-T125 HydrophobicContact CG-CG2 3.77Å; F101-Y130 AromaticContact CD1-CD2 3.86Å; F101-Y130 HydrophobicContact CD1-CD2 3.86Å; F101-Y130 HydrophobicContact CD1-CE1 4.32Å; F101-Y130 AromaticContact CD1-CE2 3.42Å; F101-Y130 HydrophobicContact CD1-CE2 3.42Å; F101-Y130 VanDerWaalsContact CD1-CE2 3.42Å; F101-Y130 HydrophobicContact CD1-CG 4.45Å; F101-Y130 AromaticContact CD1-CZ 3.67Å; F101-Y130 HydrophobicContact CE1-CD1 4.21Å; F101-Y130 AromaticContact CE1-CD2 3.46Å; F101-Y130 HydrophobicContact CE1-CD2 3.46Å; F101-Y130 VanDerWaalsContact CE1-CD2 3.46Å; F101-Y130 HydrophobicContact CE1-CE1 4.3Å; F101-Y130 AromaticContact CE1-CE2 3.56Å; F101-Y130 HydrophobicContact CE1-CE2 3.56Å; F101-Y130 AromaticContact CE1-CG 3.8Å; F101-Y130 HydrophobicContact CE1-CG 3.8Å; F101-Y130 AromaticContact CE1-CZ 3.98Å; F101-Y130 HydrophobicContact CZ-CD2 4.49Å |
| 102 | T | 88.5 | Confident | 89.3 | Confident | 42 Ų | 42 | 24 Ų | 24 | 26% | 0.258 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 122.3 | -173.9 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | I32 L33 E104 | I32-T102 WeakPolarHBondContact CG2-OG1 3.49Å; L33-T102 WeakPolarHBondContact O-CB 3.17Å; L33-T102 PolarHBondContact O-N 2.92Å; L33-T102 PolarHBondContact O-OG1 3.41Å; T102-E104 PolarHBondContact O-N 2.94Å |
| 103 | N | 86.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 26 Ų | 26 | 22% | 0.219 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 19.3 | -179.7 | -57.4 | -36.4 | 0 | 0 | 0 | 115 | S36 A38 C40 F101 | S36-N103 PolarHBondContact O-ND2 2.97Å; A38-N103 VanDerWaalsContact O-CB 3.25Å; A38-N103 WeakPolarHBondContact O-CB 3.24Å; C40-N103 WeakPolarHBondContact CB-O 3.28Å; F101-N103 PolarHBondContact O-N 2.77Å |
| 104 | E | 89.9 | Confident | 90.5 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | trans | -134.4 | 134.9 | -174.2 | -69.1 | 178.9 | -154.3 | 0 | 0 | 110.5 | Q79 F101 T102 T125 A127 Y130 | Q79-E104 WeakPolarHBondContact CA-O 3.33Å; Q79-E104 WeakPolarHBondContact CG-O 3.44Å; F101-E104 HydrophobicContact CB-CB 3.94Å; F101-E104 PolarHBondContact O-N 3.09Å; T102-E104 PolarHBondContact O-N 2.94Å; E104-T125 HydrophobicContact CB-CG2 4.2Å; E104-T125 WeakPolarHBondContact OE2-CB 3.27Å; E104-T125 PolarHBondContact OE2-OG1 2.99Å; E104-A127 HydrophobicContact CG-CB 3.95Å; E104-Y130 PolarHBondContact OE1-OH 2.84Å; E104-Y130 PolarHBondContact OE2-OH 3.21Å | ||
| 105 | V | 90.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -96.9 | 132.2 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | L42 L45 S47 G78 L107 T125 T126 | L42-V105 HydrophobicContact CD2-CG2 3.64Å; L45-V105 HydrophobicContact CB-CG2 4.42Å; S47-V105 WeakPolarHBondContact OG-CG1 3.48Å; G78-V105 WeakPolarHBondContact O-CA 3.36Å; V105-L107 PolarHBondContact O-N 3.41Å; V105-T125 CarbonylContact O-C 3.59Å; V105-T125 WeakPolarHBondContact O-CA 3.43Å; V105-T125 WeakPolarHBondContact O-CB 3.47Å; V105-T126 HydrophobicContact CB-CG2 3.86Å; V105-T126 PolarHBondContact N-OG1 2.83Å; V105-T126 VanDerWaalsContact N-OG1 3.15Å; V105-T126 PolarHBondContact O-N 3.05Å |
| 106 | V | 93.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 124.9 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | A76 G78 L81 F101 V123 T125 | A76-V106 HydrophobicContact CB-CB 3.92Å; A76-V106 HydrophobicContact CB-CG1 3.61Å; G78-V106 PolarHBondContact O-N 2.69Å; L81-V106 HydrophobicContact CB-CG2 4.42Å; F101-V106 HydrophobicContact CD2-CG2 3.35Å; F101-V106 HydrophobicContact CE2-CG2 3.52Å; F101-V106 HydrophobicContact CG-CG2 4.3Å; V106-V123 HydrophobicContact CG1-CG1 3.83Å; V106-V123 HydrophobicContact CG2-CG1 4.44Å; V106-T125 HydrophobicContact CG2-CG2 4.5Å |
| 107 | L | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 156 | 178.5 | -56.1 | -179.2 | 0 | 0 | 0 | 111 | V105 G109 A124 T125 T126 P175 L192 | V105-L107 PolarHBondContact O-N 3.41Å; L107-G109 PolarHBondContact O-N 2.67Å; L107-A124 HydrophobicContact CD1-CB 4.22Å; L107-A124 PolarHBondContact N-O 3.36Å; L107-T125 VanDerWaalsContact CD1-O 3.28Å; L107-T125 WeakPolarHBondContact CD1-O 3.46Å; L107-T126 HydrophobicContact CD2-CG2 3.73Å; L107-P175 HydrophobicContact CD1-CB 3.91Å; L107-P175 WeakPolarHBondContact CD2-O 3.38Å; L107-L192 HydrophobicContact CD1-CD2 3.96Å |
| 108 | R | 89.4 | Confident | 90.5 | Very high | 72 Ų | 72 | 37 Ų | 37 | 27% | 0.272 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -53.1 | 138.6 | 163.3 | -74.9 | 173.3 | 178.6 | 159.2 | 1.3 | 109.5 | D48 T50 S178 | D48-R108 VanDerWaalsContact CB-NH2 3.32Å; D48-R108 IonicContact OD2-CZ 2.73Å; D48-R108 IonicContact OD2-NH2 3.95Å; D48-R108 PolarHBondContact OD2-NH2 2.56Å; T50-R108 HydrophobicContact CG2-CB 4.21Å; T50-R108 HydrophobicContact CG2-CG 3.24Å; R108-S178 CarbonylContact O-C 3.52Å; R108-S178 VanDerWaalsContact O-CA 3.28Å; R108-S178 WeakPolarHBondContact O-CA 3.49Å; R108-S178 WeakPolarHBondContact O-CB 3.43Å; R108-S178 PolarHBondContact O-N 2.77Å; R108-S178 PolarHBondContact O-OG 2.83Å |
| 109 | G | 90.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 120.5 | 0.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L107 T111 S178 | L107-G109 PolarHBondContact O-N 2.67Å; G109-T111 PolarHBondContact O-N 3.16Å; G109-T111 PolarHBondContact O-OG1 3.04Å; G109-S178 WeakPolarHBondContact CA-O 3.16Å |
| 110 | T | 94.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -49.8 | 129.1 | 171.5 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | W74 L81 L121 L122 V123 | W74-T110 HydrophobicContact CD2-CG2 3.95Å; W74-T110 HydrophobicContact CE3-CG2 4.2Å; W74-T110 HydrophobicContact CG-CG2 4.4Å; W74-T110 HydrophobicContact CZ2-CG2 4.27Å; W74-T110 WeakPolarHBondContact CZ2-O 3.35Å; W74-T110 HydrophobicContact CZ3-CG2 4.47Å; L81-T110 HydrophobicContact CD1-CG2 4.34Å; L81-T110 HydrophobicContact CD2-CG2 4.16Å; T110-L121 HydrophobicContact CG2-CD1 3.71Å; T110-L122 WeakPolarHBondContact CA-O 3.43Å; T110-V123 HydrophobicContact CG2-CG2 4.16Å | ||
| 111 | T | 93.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 29% | 0.288 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.6 | -177.5 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | G109 F113 L122 | G109-T111 PolarHBondContact O-N 3.16Å; G109-T111 PolarHBondContact O-OG1 3.04Å; T111-F113 HydrophobicContact CG2-CD2 4.04Å; T111-F113 HydrophobicContact CG2-CE1 4.13Å; T111-F113 HydrophobicContact CG2-CE2 3.43Å; T111-F113 VanDerWaalsContact CG2-CE2 3.43Å; T111-F113 HydrophobicContact CG2-CZ 3.47Å; T111-F113 VanDerWaalsContact CG2-CZ 3.47Å; T111-L122 PolarHBondContact N-O 2.87Å; T111-L122 PolarHBondContact O-N 3.15Å |
| 112 | I | 94.1 | Very high | 91 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.8 | 171.7 | -59 | 172.2 | 0 | 0 | 0 | 108.2 | F54 I72 L83 L119 Y120 L121 | F54-I112 HydrophobicContact CB-CB 3.79Å; F54-I112 HydrophobicContact CB-CD1 4.03Å; F54-I112 HydrophobicContact CB-CG1 4.41Å; F54-I112 HydrophobicContact CB-CG2 4.15Å; F54-I112 HydrophobicContact CD1-CB 4.48Å; F54-I112 HydrophobicContact CD1-CG2 3.89Å; F54-I112 HydrophobicContact CD2-CB 4Å; F54-I112 HydrophobicContact CD2-CG2 3.83Å; F54-I112 WeakPolarHBondContact CD2-O 3.5Å; F54-I112 HydrophobicContact CE1-CG2 4.33Å; F54-I112 HydrophobicContact CE2-CG2 4.29Å; F54-I112 HydrophobicContact CG-CB 3.81Å; F54-I112 HydrophobicContact CG-CG2 3.64Å; I72-I112 HydrophobicContact CB-CD1 4Å; I72-I112 HydrophobicContact CD1-CD1 4.31Å; I72-I112 HydrophobicContact CG2-CD1 3.66Å; L83-I112 HydrophobicContact CD2-CD1 4.31Å; I112-L119 HydrophobicContact CG2-CB 4.3Å; I112-Y120 CarbonylContact C-O 3.54Å; I112-Y120 VanDerWaalsContact CA-O 3.27Å; I112-Y120 WeakPolarHBondContact CA-O 3.43Å; I112-L121 HydrophobicContact CD1-CD1 4.32Å; I112-L121 HydrophobicContact CG1-CB 4.4Å; I112-L121 HydrophobicContact CG1-CD1 3.71Å |
| 113 | F | 92.7 | Very high | 91.4 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 20% | 0.197 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.8 | 174.1 | -62.5 | -90.6 | 0 | 0 | 0 | 110.5 | T111 L119 Y120 L122 C180 L182 | T111-F113 HydrophobicContact CG2-CD2 4.04Å; T111-F113 HydrophobicContact CG2-CE1 4.13Å; T111-F113 HydrophobicContact CG2-CE2 3.43Å; T111-F113 VanDerWaalsContact CG2-CE2 3.43Å; T111-F113 HydrophobicContact CG2-CZ 3.47Å; T111-F113 VanDerWaalsContact CG2-CZ 3.47Å; F113-L119 CarbonylContact O-C 3.55Å; F113-L119 WeakPolarHBondContact O-CA 3.5Å; F113-Y120 PolarHBondContact N-O 2.75Å; F113-Y120 PolarHBondContact O-N 3.35Å; F113-L122 HydrophobicContact CD2-CD1 3.87Å; F113-L122 HydrophobicContact CD2-CG 4.14Å; F113-L122 HydrophobicContact CE2-CD1 3.76Å; F113-L122 HydrophobicContact CE2-CG 4.3Å; F113-C180 HydrophobicContact CE2-CB 4.19Å; F113-C180 WeakPolarHBondContact CZ-O 3.33Å; F113-L182 HydrophobicContact CB-CB 3.96Å; F113-L182 HydrophobicContact CB-CD2 3.76Å; F113-L182 HydrophobicContact CB-CG 4.48Å; F113-L182 HydrophobicContact CD1-CB 3.85Å; F113-L182 HydrophobicContact CD2-CB 4.01Å; F113-L182 HydrophobicContact CE1-CB 4.37Å; F113-L182 HydrophobicContact CG-CB 3.66Å; F113-L182 HydrophobicContact CG-CD2 4.41Å |
| 114 | E | 90.4 | Very high | 91.8 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.1 | 176 | -170 | -178.1 | 164.2 | 0 | 0 | 110.6 | F54 G57 L119 H136 | F54-E114 HydrophobicContact CE2-CB 3.81Å; F54-E114 HydrophobicContact CZ-CB 3.66Å; F54-E114 HydrophobicContact CZ-CG 4.16Å; F54-E114 WeakPolarHBondContact CZ-OE2 3.39Å; G57-E114 PolarHBondContact N-OE1 3.09Å; G57-E114 PolarHBondContact N-OE2 3.18Å; E114-L119 HydrophobicContact CB-CD2 4.02Å; E114-L119 HydrophobicContact CG-CD2 3.84Å; E114-H136 IonicContact OE1-CD2 2.72Å; E114-H136 IonicContact OE1-CE1 2.73Å; E114-H136 IonicContact OE1-NE2 2.75Å; E114-H136 PolarHBondContact OE1-NE2 3.06Å |
| 115 | T | 88.5 | Confident | 92 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 15% | 0.147 | 14% | 0.138 | C | C | . | . | trans | -124.7 | 170 | 161 | 78.9 | 0 | 0 | 0 | 0 | 108.7 | K117 R118 Y120 L182 E186 | T115-K117 PolarHBondContact O-N 3.49Å; T115-R118 PolarHBondContact N-O 3.36Å; T115-R118 PolarHBondContact O-N 3.42Å; T115-R118 PolarHBondContact OG1-N 3.13Å; T115-Y120 HydrophobicContact CG2-CD2 4.04Å; T115-Y120 HydrophobicContact CG2-CE2 3.69Å; T115-L182 HydrophobicContact CG2-CD2 3.69Å; T115-E186 WeakPolarHBondContact CB-OE1 3.37Å; T115-E186 HydrophobicContact CG2-CG 4.24Å; T115-E186 WeakPolarHBondContact CG2-OE1 3.38Å; T115-E186 PolarHBondContact OG1-OE1 3.05Å | ||
| 116 | D | 81.4 | Confident | 92.1 | Very high | 108 Ų | 108 | 28.3 Ų | 28.3 | 58% | 0.578 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -55.2 | -20.6 | -176.8 | -62.7 | -30 | 0 | 0 | 0 | 114.2 | R60 | R60-D116 IonicContact CZ-OD1 2.8Å; R60-D116 IonicContact NH1-OD1 3.49Å |
| 117 | K | 84.4 | Confident | 92 | Very high | 124 Ų | 124 | 29.6 Ų | 29.6 | 54% | 0.539 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -119.5 | -19.8 | -173.6 | -62.2 | 179.9 | -177.4 | 176.1 | 0 | 114 | T115 H136 L139 | T115-K117 PolarHBondContact O-N 3.49Å; K117-H136 WeakPolarHBondContact O-CB 3.42Å; K117-H136 PolarHBondContact O-N 3.26Å; K117-L139 HydrophobicContact CB-CD1 4.2Å; K117-L139 VanDerWaalsContact O-CD1 3.26Å; K117-L139 WeakPolarHBondContact O-CD1 3.39Å |
| 118 | R | 90 | Very high | 92.1 | Very high | 77 Ų | 77 | 29.4 Ų | 29.4 | 29% | 0.291 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.7 | -165.8 | -64 | 179.5 | -178 | 96.2 | 2.1 | 112.4 | T115 Y120 V133 L134 E186 | T115-R118 PolarHBondContact N-O 3.36Å; T115-R118 PolarHBondContact O-N 3.42Å; T115-R118 PolarHBondContact OG1-N 3.13Å; R118-Y120 HydrophobicContact CB-CD2 4.35Å; R118-Y120 HydrophobicContact CB-CE2 3.81Å; R118-V133 HydrophobicContact CB-CG1 4.21Å; R118-V133 HydrophobicContact CG-CG1 4.16Å; R118-L134 WeakPolarHBondContact CA-O 3.34Å; R118-E186 IonicContact NH1-OE2 3Å |
| 119 | L | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.3 | 160.7 | -50.2 | 170.4 | 0 | 0 | 0 | 109 | F54 Y56 I72 I112 F113 E114 V133 L134 A149 | F54-L119 HydrophobicContact CE1-CD2 3.87Å; F54-L119 HydrophobicContact CZ-CD2 3.82Å; Y56-L119 HydrophobicContact CD1-CD2 4.33Å; Y56-L119 HydrophobicContact CE1-CD1 3.59Å; Y56-L119 HydrophobicContact CE1-CD2 3.83Å; Y56-L119 HydrophobicContact CE1-CG 4.21Å; Y56-L119 VanDerWaalsContact OH-CD1 3.24Å; Y56-L119 WeakPolarHBondContact OH-CD1 3.37Å; I72-L119 HydrophobicContact CD1-CD1 3.97Å; I112-L119 HydrophobicContact CG2-CB 4.3Å; F113-L119 CarbonylContact O-C 3.55Å; F113-L119 WeakPolarHBondContact O-CA 3.5Å; E114-L119 HydrophobicContact CB-CD2 4.02Å; E114-L119 HydrophobicContact CG-CD2 3.84Å; L119-V133 WeakPolarHBondContact O-CA 3.14Å; L119-L134 HydrophobicContact CB-CB 4.15Å; L119-L134 HydrophobicContact CB-CD1 4.41Å; L119-L134 HydrophobicContact CD1-CD1 4.39Å; L119-L134 PolarHBondContact N-O 3.21Å; L119-L134 PolarHBondContact O-N 2.76Å; L119-A149 HydrophobicContact CD1-CB 3.81Å |
| 120 | Y | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 104.6 | 177.8 | -69.4 | -90.9 | 0 | 0 | 0 | 108.9 | I112 F113 T115 R118 R131 I132 V133 L182 E186 Y207 | I112-Y120 CarbonylContact C-O 3.54Å; I112-Y120 VanDerWaalsContact CA-O 3.27Å; I112-Y120 WeakPolarHBondContact CA-O 3.43Å; F113-Y120 PolarHBondContact N-O 2.75Å; F113-Y120 PolarHBondContact O-N 3.35Å; T115-Y120 HydrophobicContact CG2-CD2 4.04Å; T115-Y120 HydrophobicContact CG2-CE2 3.69Å; R118-Y120 HydrophobicContact CB-CD2 4.35Å; R118-Y120 HydrophobicContact CB-CE2 3.81Å; Y120-R131 HydrophobicContact CD1-CG 4.24Å; Y120-I132 CarbonylContact C-O 3.55Å; Y120-V133 HydrophobicContact CD1-CG2 3.71Å; Y120-V133 HydrophobicContact CE1-CG1 4.43Å; Y120-V133 HydrophobicContact CE1-CG2 3.67Å; Y120-L182 HydrophobicContact CD1-CD1 4.19Å; Y120-L182 HydrophobicContact CD2-CD1 4.31Å; Y120-L182 HydrophobicContact CD2-CD2 3.61Å; Y120-L182 HydrophobicContact CE2-CD2 4Å; Y120-L182 HydrophobicContact CG-CD1 4.1Å; Y120-L182 HydrophobicContact CG-CD2 4.1Å; Y120-E186 PolarHBondContact OH-OE2 2.93Å; Y120-Y207 HydrophobicContact CE1-CG 4.45Å; Y120-Y207 VanDerWaalsContact OH-CB 3.25Å; Y120-Y207 WeakPolarHBondContact OH-CB 3.37Å |
| 121 | L | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 109 | 168.1 | 170.6 | 65.8 | 0 | 0 | 0 | 108.2 | L81 L83 L99 T110 I112 V123 I132 | L81-L121 HydrophobicContact CD2-CD1 4.39Å; L81-L121 HydrophobicContact CD2-CD2 4.27Å; L83-L121 HydrophobicContact CD1-CD2 4.13Å; L83-L121 HydrophobicContact CD2-CD1 4.07Å; L83-L121 HydrophobicContact CD2-CD2 3.64Å; L83-L121 HydrophobicContact CD2-CG 4.46Å; L99-L121 HydrophobicContact CD1-CD2 3.93Å; T110-L121 HydrophobicContact CG2-CD1 3.71Å; I112-L121 HydrophobicContact CD1-CD1 4.32Å; I112-L121 HydrophobicContact CG1-CB 4.4Å; I112-L121 HydrophobicContact CG1-CD1 3.71Å; L121-V123 HydrophobicContact CD1-CG2 4.04Å; L121-V123 HydrophobicContact CD2-CG2 4.35Å; L121-V123 HydrophobicContact CG-CG2 3.86Å; L121-I132 HydrophobicContact CB-CB 4.05Å; L121-I132 HydrophobicContact CB-CG2 4.43Å; L121-I132 HydrophobicContact CD2-CB 4.28Å; L121-I132 HydrophobicContact CD2-CD1 4.03Å; L121-I132 HydrophobicContact CD2-CG2 4.34Å; L121-I132 HydrophobicContact CG-CB 4.35Å; L121-I132 PolarHBondContact N-O 3.1Å; L121-I132 PolarHBondContact O-N 2.78Å |
| 122 | L | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.4 | 179.4 | -56.5 | -169.2 | 0 | 0 | 0 | 109.2 | T110 T111 F113 R131 C180 A188 F190 | T110-L122 WeakPolarHBondContact CA-O 3.43Å; T111-L122 PolarHBondContact N-O 2.87Å; T111-L122 PolarHBondContact O-N 3.15Å; F113-L122 HydrophobicContact CD2-CD1 3.87Å; F113-L122 HydrophobicContact CD2-CG 4.14Å; F113-L122 HydrophobicContact CE2-CD1 3.76Å; F113-L122 HydrophobicContact CE2-CG 4.3Å; L122-R131 HydrophobicContact CD2-CB 4.11Å; L122-R131 HydrophobicContact CD2-CG 3.87Å; L122-C180 HydrophobicContact CB-CB 3.76Å; L122-C180 HydrophobicContact CD1-CB 4.01Å; L122-A188 HydrophobicContact CD1-CB 3.89Å; L122-A188 HydrophobicContact CD2-CB 3.76Å; L122-F190 HydrophobicContact CB-CE1 3.76Å; L122-F190 HydrophobicContact CB-CZ 3.87Å; L122-F190 HydrophobicContact CD1-CZ 4.44Å; L122-F190 HydrophobicContact CD2-CZ 4.04Å; L122-F190 HydrophobicContact CG-CZ 4.33Å |
| 123 | V | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.8 | -177.4 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | L81 F101 V106 T110 L121 T129 Y130 | L81-V123 HydrophobicContact CD2-CG1 4.29Å; L81-V123 HydrophobicContact CD2-CG2 3.6Å; F101-V123 HydrophobicContact CE1-CG1 4.41Å; F101-V123 HydrophobicContact CE2-CG1 4.15Å; F101-V123 HydrophobicContact CZ-CB 4.23Å; F101-V123 HydrophobicContact CZ-CG1 3.77Å; F101-V123 HydrophobicContact CZ-CG2 4.42Å; V106-V123 HydrophobicContact CG1-CG1 3.83Å; V106-V123 HydrophobicContact CG2-CG1 4.44Å; T110-V123 HydrophobicContact CG2-CG2 4.16Å; L121-V123 HydrophobicContact CD1-CG2 4.04Å; L121-V123 HydrophobicContact CD2-CG2 4.35Å; L121-V123 HydrophobicContact CG-CG2 3.86Å; V123-T129 CarbonylContact O-C 3.45Å; V123-T129 WeakPolarHBondContact O-CA 2.95Å; V123-Y130 PolarHBondContact N-O 2.82Å; V123-Y130 PolarHBondContact O-N 3.31Å |
| 124 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | L107 T129 F190 L192 | L107-A124 HydrophobicContact CD1-CB 4.22Å; L107-A124 PolarHBondContact N-O 3.36Å; A124-T129 HydrophobicContact CB-CG2 4.17Å; A124-F190 HydrophobicContact CB-CD1 4.23Å; A124-L192 HydrophobicContact CB-CD2 3.53Å |
| 125 | T | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -113.1 | 179.9 | 169.7 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | F101 E104 V105 V106 L107 A127 A128 Y130 Y167 | F101-T125 HydrophobicContact CB-CG2 4.06Å; F101-T125 HydrophobicContact CD1-CG2 3.71Å; F101-T125 HydrophobicContact CD2-CG2 4.33Å; F101-T125 HydrophobicContact CE1-CG2 4.22Å; F101-T125 HydrophobicContact CG-CG2 3.77Å; E104-T125 HydrophobicContact CB-CG2 4.2Å; E104-T125 WeakPolarHBondContact OE2-CB 3.27Å; E104-T125 PolarHBondContact OE2-OG1 2.99Å; V105-T125 CarbonylContact O-C 3.59Å; V105-T125 WeakPolarHBondContact O-CA 3.43Å; V105-T125 WeakPolarHBondContact O-CB 3.47Å; V106-T125 HydrophobicContact CG2-CG2 4.5Å; L107-T125 VanDerWaalsContact CD1-O 3.28Å; L107-T125 WeakPolarHBondContact CD1-O 3.46Å; T125-A127 PolarHBondContact O-N 2.86Å; T125-A127 PolarHBondContact OG1-N 2.89Å; T125-A128 PolarHBondContact N-O 2.8Å; T125-A128 PolarHBondContact OG1-N 2.88Å; T125-A128 PolarHBondContact OG1-O 2.59Å; T125-A128 VanDerWaalsContact OG1-O 3.09Å; T125-Y130 HydrophobicContact CG2-CD2 4.08Å; T125-Y130 HydrophobicContact CG2-CE2 3.63Å; T125-Y167 PolarHBondContact O-OH 2.96Å |
| 126 | T | 92.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -64.5 | -10.9 | 174.2 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | L45 V105 L107 Y167 P174 | L45-T126 HydrophobicContact CD1-CG2 4.4Å; L45-T126 HydrophobicContact CD2-CG2 3.94Å; V105-T126 HydrophobicContact CB-CG2 3.86Å; V105-T126 PolarHBondContact N-OG1 2.83Å; V105-T126 VanDerWaalsContact N-OG1 3.15Å; V105-T126 PolarHBondContact O-N 3.05Å; L107-T126 HydrophobicContact CD2-CG2 3.73Å; T126-Y167 WeakPolarHBondContact CA-OH 3.43Å; T126-Y167 PolarHBondContact O-OH 2.85Å; T126-Y167 VanDerWaalsContact O-OH 3.06Å; T126-P174 HydrophobicContact CG2-CB 4.36Å |
| 127 | A | 91.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 19.6 Ų | 19.6 | 23% | 0.231 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -135.7 | -17.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E104 T125 Y167 | E104-A127 HydrophobicContact CG-CB 3.95Å; T125-A127 PolarHBondContact O-N 2.86Å; T125-A127 PolarHBondContact OG1-N 2.89Å; A127-Y167 VanDerWaalsContact C-CE1 3.43Å; A127-Y167 VanDerWaalsContact C-CZ 3.48Å; A127-Y167 PolarHBondContact N-OH 3.05Å; A127-Y167 VanDerWaalsContact N-OH 3.16Å; A127-Y167 PolarHBondContact O-N 2.99Å |
| 128 | A | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 166.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | T125 Y130 F165 Y167 | T125-A128 PolarHBondContact N-O 2.8Å; T125-A128 PolarHBondContact OG1-N 2.88Å; T125-A128 PolarHBondContact OG1-O 2.59Å; T125-A128 VanDerWaalsContact OG1-O 3.09Å; A128-Y130 HydrophobicContact CB-CE2 3.73Å; A128-F165 CarbonylContact C-O 3.6Å; A128-F165 VanDerWaalsContact CA-O 3.26Å; A128-F165 WeakPolarHBondContact CA-O 3.3Å; A128-Y167 VanDerWaalsContact C-CE1 3.49Å; A128-Y167 VanDerWaalsContact N-CE1 3.28Å |
| 129 | T | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.9 | 170.7 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | V123 A124 S164 F165 Y167 F190 L192 V202 F204 | V123-T129 CarbonylContact O-C 3.45Å; V123-T129 WeakPolarHBondContact O-CA 2.95Å; A124-T129 HydrophobicContact CB-CG2 4.17Å; T129-S164 CarbonylContact O-C 3.53Å; T129-S164 VanDerWaalsContact O-CA 3.24Å; T129-S164 WeakPolarHBondContact O-CA 3.29Å; T129-F165 PolarHBondContact N-O 2.88Å; T129-F165 PolarHBondContact O-N 2.9Å; T129-F165 PolarHBondContact OG1-O 3.26Å; T129-Y167 HydrophobicContact CG2-CD1 4.11Å; T129-Y167 HydrophobicContact CG2-CE1 4.12Å; T129-F190 HydrophobicContact CG2-CB 3.84Å; T129-F190 HydrophobicContact CG2-CD1 3.78Å; T129-F190 HydrophobicContact CG2-CD2 4.11Å; T129-F190 HydrophobicContact CG2-CE1 4.35Å; T129-F190 HydrophobicContact CG2-CG 3.64Å; T129-L192 HydrophobicContact CG2-CD1 4.38Å; T129-V202 HydrophobicContact CG2-CB 4.3Å; T129-V202 HydrophobicContact CG2-CG2 4.35Å; T129-V202 WeakPolarHBondContact OG1-CG1 3.2Å; T129-F204 WeakPolarHBondContact OG1-CE2 3.27Å |
| 130 | Y | 95.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 19.5 Ų | 19.5 | 5% | 0.051 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125 | -174 | -60.4 | -90.2 | 0 | 0 | 0 | 110 | L33 F101 E104 V123 T125 A128 N163 F190 | L33-Y130 HydrophobicContact CB-CE1 4.17Å; L33-Y130 HydrophobicContact CD2-CD1 3.65Å; L33-Y130 HydrophobicContact CD2-CE1 3.83Å; L33-Y130 HydrophobicContact CD2-CG 4.39Å; F101-Y130 AromaticContact CD1-CD2 3.86Å; F101-Y130 HydrophobicContact CD1-CD2 3.86Å; F101-Y130 HydrophobicContact CD1-CE1 4.32Å; F101-Y130 AromaticContact CD1-CE2 3.42Å; F101-Y130 HydrophobicContact CD1-CE2 3.42Å; F101-Y130 VanDerWaalsContact CD1-CE2 3.42Å; F101-Y130 HydrophobicContact CD1-CG 4.45Å; F101-Y130 AromaticContact CD1-CZ 3.67Å; F101-Y130 HydrophobicContact CE1-CD1 4.21Å; F101-Y130 AromaticContact CE1-CD2 3.46Å; F101-Y130 HydrophobicContact CE1-CD2 3.46Å; F101-Y130 VanDerWaalsContact CE1-CD2 3.46Å; F101-Y130 HydrophobicContact CE1-CE1 4.3Å; F101-Y130 AromaticContact CE1-CE2 3.56Å; F101-Y130 HydrophobicContact CE1-CE2 3.56Å; F101-Y130 AromaticContact CE1-CG 3.8Å; F101-Y130 HydrophobicContact CE1-CG 3.8Å; F101-Y130 AromaticContact CE1-CZ 3.98Å; F101-Y130 HydrophobicContact CZ-CD2 4.49Å; E104-Y130 PolarHBondContact OE1-OH 2.84Å; E104-Y130 PolarHBondContact OE2-OH 3.21Å; V123-Y130 PolarHBondContact N-O 2.82Å; V123-Y130 PolarHBondContact O-N 3.31Å; T125-Y130 HydrophobicContact CG2-CD2 4.08Å; T125-Y130 HydrophobicContact CG2-CE2 3.63Å; A128-Y130 HydrophobicContact CB-CE2 3.73Å; Y130-N163 WeakPolarHBondContact CA-O 3.34Å; Y130-F190 WeakPolarHBondContact O-CZ 3.28Å |
| 131 | R | 95.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 96.9 | 169.6 | 177.9 | -178.3 | 65.2 | -177.6 | -8.5 | 108.4 | Y120 L122 V133 Q162 N163 A188 F204 G205 P206 | Y120-R131 HydrophobicContact CD1-CG 4.24Å; L122-R131 HydrophobicContact CD2-CB 4.11Å; L122-R131 HydrophobicContact CD2-CG 3.87Å; R131-V133 HydrophobicContact CG-CG2 4.06Å; R131-Q162 PolarHBondContact NH2-O 3.45Å; R131-N163 PolarHBondContact N-O 3.04Å; R131-N163 PolarHBondContact NE-OD1 2.88Å; R131-N163 PolarHBondContact NH2-OD1 3.15Å; R131-N163 VanDerWaalsContact O-CB 3.32Å; R131-N163 WeakPolarHBondContact O-CB 3.07Å; R131-A188 HydrophobicContact CG-CB 4.23Å; R131-F204 HydrophobicContact CB-CD1 4.48Å; R131-G205 PolarHBondContact NH1-O 3.13Å; R131-P206 PolarHBondContact NH1-O 3.1Å |
| 132 | I | 94.5 | Very high | 85.5 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.7 | 178.8 | -60.9 | 172.9 | 0 | 0 | 0 | 108.5 | L33 L99 Y120 L121 L134 L153 | L33-I132 HydrophobicContact CD2-CD1 4.41Å; L99-I132 HydrophobicContact CD1-CD1 3.41Å; L99-I132 VanDerWaalsContact CD1-CD1 3.41Å; Y120-I132 CarbonylContact C-O 3.55Å; L121-I132 HydrophobicContact CB-CB 4.05Å; L121-I132 HydrophobicContact CB-CG2 4.43Å; L121-I132 HydrophobicContact CD2-CB 4.28Å; L121-I132 HydrophobicContact CD2-CD1 4.03Å; L121-I132 HydrophobicContact CD2-CG2 4.34Å; L121-I132 HydrophobicContact CG-CB 4.35Å; L121-I132 PolarHBondContact N-O 3.1Å; L121-I132 PolarHBondContact O-N 2.78Å; I132-L134 HydrophobicContact CG2-CD2 4.43Å; I132-L153 HydrophobicContact CG2-CD1 3.72Å; I132-L153 HydrophobicContact CG2-CD2 3.88Å; I132-L153 HydrophobicContact CG2-CG 4.49Å |
| 133 | V | 92.4 | Very high | 83.3 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.3 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | R118 L119 Y120 R131 Y207 | R118-V133 HydrophobicContact CB-CG1 4.21Å; R118-V133 HydrophobicContact CG-CG1 4.16Å; L119-V133 WeakPolarHBondContact O-CA 3.14Å; Y120-V133 HydrophobicContact CD1-CG2 3.71Å; Y120-V133 HydrophobicContact CE1-CG1 4.43Å; Y120-V133 HydrophobicContact CE1-CG2 3.67Å; R131-V133 HydrophobicContact CG-CG2 4.06Å; V133-Y207 HydrophobicContact CB-CD2 4.22Å; V133-Y207 HydrophobicContact CB-CE2 3.81Å; V133-Y207 HydrophobicContact CG1-CD1 4.45Å; V133-Y207 HydrophobicContact CG1-CD2 4.27Å; V133-Y207 HydrophobicContact CG1-CE1 4.2Å; V133-Y207 HydrophobicContact CG1-CE2 3.99Å; V133-Y207 HydrophobicContact CG1-CG 4.48Å; V133-Y207 HydrophobicContact CG2-CD2 3.56Å; V133-Y207 HydrophobicContact CG2-CE2 3.6Å; V133-Y207 HydrophobicContact CG2-CG 4.31Å |
| 134 | L | 91.4 | Very high | 81.3 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.2 | 177.9 | -50 | 169 | 0 | 0 | 0 | 109.7 | R118 L119 I132 L150 L153 | R118-L134 WeakPolarHBondContact CA-O 3.34Å; L119-L134 HydrophobicContact CB-CB 4.15Å; L119-L134 HydrophobicContact CB-CD1 4.41Å; L119-L134 HydrophobicContact CD1-CD1 4.39Å; L119-L134 PolarHBondContact N-O 3.21Å; L119-L134 PolarHBondContact O-N 2.76Å; I132-L134 HydrophobicContact CG2-CD2 4.43Å; L134-L150 HydrophobicContact CD1-CD2 3.82Å; L134-L153 HydrophobicContact CD2-CB 3.74Å; L134-L153 HydrophobicContact CD2-CD1 3.99Å; L134-L153 HydrophobicContact CD2-CD2 4.27Å; L134-L153 HydrophobicContact CD2-CG 4.22Å |
| 135 | K | 87.6 | Confident | 79.5 | Confident | 126 Ų | 126 | 43 Ų | 43 | 55% | 0.548 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140.7 | 171.7 | -67.5 | -176.9 | 174.5 | -174.7 | 0 | 109.8 | T152 | K135-T152 HydrophobicContact CB-CG2 4.11Å; K135-T152 PolarHBondContact N-OG1 3.49Å |
| 136 | H | 86.1 | Confident | 78 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -74.7 | 132.1 | 174.8 | -164.5 | -82.7 | 0 | 0 | 0 | 110.8 | Y56 E114 K117 V138 L139 | Y56-H136 AromaticContact CD1-NE2 3.63Å; E114-H136 IonicContact OE1-CD2 2.72Å; E114-H136 IonicContact OE1-CE1 2.73Å; E114-H136 IonicContact OE1-NE2 2.75Å; E114-H136 PolarHBondContact OE1-NE2 3.06Å; K117-H136 WeakPolarHBondContact O-CB 3.42Å; K117-H136 PolarHBondContact O-N 3.26Å; H136-V138 WeakPolarHBondContact CE1-CG2 3.13Å; H136-V138 VanDerWaalsContact ND1-CB 3.32Å; H136-V138 WeakPolarHBondContact ND1-CB 3.37Å; H136-V138 WeakPolarHBondContact ND1-CG2 3.46Å; H136-V138 PolarHBondContact ND1-N 2.8Å; H136-V138 PolarHBondContact O-N 2.88Å; H136-V138 VanDerWaalsContact O-N 3.15Å; H136-L139 HydrophobicContact CB-CG 4.49Å; H136-L139 WeakPolarHBondContact O-CB 3.31Å; H136-L139 PolarHBondContact O-N 2.9Å; H136-L139 VanDerWaalsContact O-N 3.09Å | ||
| 137 | P | 78.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -67.1 | -16.8 | -174 | 26.7 | -36 | 0 | 0 | 0 | 114.2 | Y56 F67 L139 | Y56-P137 HydrophobicContact CD1-CG 4.28Å; Y56-P137 HydrophobicContact CE1-CG 3.67Å; F67-P137 HydrophobicContact CD1-CG 4.05Å; F67-P137 HydrophobicContact CE1-CB 3.65Å; F67-P137 HydrophobicContact CE1-CG 3.43Å; F67-P137 VanDerWaalsContact CE1-CG 3.43Å; F67-P137 HydrophobicContact CZ-CB 4.12Å; F67-P137 HydrophobicContact CZ-CG 4.2Å; P137-L139 PolarHBondContact O-N 2.93Å |
| 138 | V | 74.8 | Confident | 76.8 | Confident | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.5 | 172.5 | 170.5 | 0 | 0 | 0 | 0 | 112.7 | F67 H136 D140 | F67-V138 HydrophobicContact CD2-CG2 3.83Å; F67-V138 HydrophobicContact CE2-CB 4.45Å; F67-V138 HydrophobicContact CE2-CG2 3.41Å; F67-V138 VanDerWaalsContact CE2-CG2 3.41Å; F67-V138 HydrophobicContact CZ-CG2 3.81Å; H136-V138 WeakPolarHBondContact CE1-CG2 3.13Å; H136-V138 VanDerWaalsContact ND1-CB 3.32Å; H136-V138 WeakPolarHBondContact ND1-CB 3.37Å; H136-V138 WeakPolarHBondContact ND1-CG2 3.46Å; H136-V138 PolarHBondContact ND1-N 2.8Å; H136-V138 PolarHBondContact O-N 2.88Å; H136-V138 VanDerWaalsContact O-N 3.15Å; V138-D140 VanDerWaalsContact C-N 3.31Å; V138-D140 PolarHBondContact O-N 2.79Å |
| 139 | L | 66.3 | Low | 76.6 | Confident | 100 Ų | 100 | 48 Ų | 48 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -76.4 | -18.1 | -173.7 | -65.7 | -179.2 | 0 | 0 | 0 | 113.8 | K117 H136 P137 | K117-L139 HydrophobicContact CB-CD1 4.2Å; K117-L139 VanDerWaalsContact O-CD1 3.26Å; K117-L139 WeakPolarHBondContact O-CD1 3.39Å; H136-L139 HydrophobicContact CB-CG 4.49Å; H136-L139 WeakPolarHBondContact O-CB 3.31Å; H136-L139 PolarHBondContact O-N 2.9Å; H136-L139 VanDerWaalsContact O-N 3.09Å; P137-L139 PolarHBondContact O-N 2.93Å |
| 140 | D | 63 | Low | 76.3 | Confident | 46 Ų | 46 | 48 Ų | 48 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92.3 | 142 | -176 | -70.4 | -34.9 | 0 | 0 | 0 | 111.2 | V138 L144 | V138-D140 VanDerWaalsContact C-N 3.31Å; V138-D140 PolarHBondContact O-N 2.79Å; D140-L144 HydrophobicContact CB-CB 3.4Å; D140-L144 VanDerWaalsContact CB-CB 3.4Å; D140-L144 HydrophobicContact CB-CD1 3.71Å; D140-L144 HydrophobicContact CB-CG 4.2Å |
| 141 | V | 57 | Low | 75.9 | Confident | 111 Ų | 111 | 49.4 Ų | 49.4 | 67% | 0.673 | 27% | 0.265 | S | S | * | . | trans | -45.4 | 147.5 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 110 | E143 L144 | V141-E143 PolarHBondContact O-N 2.95Å; V141-L144 WeakPolarHBondContact O-CB 3.29Å; V141-L144 PolarHBondContact O-N 2.95Å | ||
| 142 | A | 57.4 | Low | 75.4 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -43.8 | -29.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 143 | E | 51.1 | Low | 74.9 | Confident | 170 Ų | 170 | 50.9 Ų | 50.9 | 79% | 0.794 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -72.7 | -22.5 | 176.3 | -65.1 | 178.1 | 171.9 | 0 | 0 | 114.5 | V141 | V141-E143 PolarHBondContact O-N 2.95Š|
| 144 | L | 53.4 | Low | 74.3 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -93.8 | -4.9 | -179.2 | -74 | 172.2 | 0 | 0 | 0 | 113.5 | D140 V141 S146 F147 | D140-L144 HydrophobicContact CB-CB 3.4Å; D140-L144 VanDerWaalsContact CB-CB 3.4Å; D140-L144 HydrophobicContact CB-CD1 3.71Å; D140-L144 HydrophobicContact CB-CG 4.2Å; V141-L144 WeakPolarHBondContact O-CB 3.29Å; V141-L144 PolarHBondContact O-N 2.95Å; L144-S146 PolarHBondContact O-N 2.93Å; L144-S146 VanDerWaalsContact O-N 3.13Å; L144-F147 HydrophobicContact CB-CD2 4.26Å; L144-F147 HydrophobicContact CD2-CD2 3.53Å; L144-F147 HydrophobicContact CD2-CE2 3.56Å; L144-F147 HydrophobicContact CD2-CG 4.14Å; L144-F147 HydrophobicContact CD2-CZ 4.22Å; L144-F147 HydrophobicContact CG-CD2 4.46Å; L144-F147 WeakPolarHBondContact O-CB 3.21Å; L144-F147 PolarHBondContact O-N 3Å |
| 145 | R | 58.2 | Low | 73.7 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.3 | 179 | -69.5 | -173.8 | -178.1 | 169.5 | 5.7 | 113 | D64 F67 R70 F147 | D64-R145 IonicContact OD2-NH1 3Å; D64-R145 PolarHBondContact OD2-NH1 3.34Å; F67-R145 HydrophobicContact CZ-CG 4.48Å; R70-R145 PolarHBondContact NH1-O 2.8Å; R145-F147 VanDerWaalsContact C-N 3.3Å |
| 146 | S | 61.8 | Low | 73.1 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -8.7 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | P93 L144 | P93-S146 WeakPolarHBondContact CD-O 3.45Å; L144-S146 PolarHBondContact O-N 2.93Å; L144-S146 VanDerWaalsContact O-N 3.13Å |
| 147 | F | 75.1 | Confident | 72.7 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 39% | 0.386 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -84.2 | 143.8 | 179.1 | -72.3 | -99.4 | 0 | 0 | 0 | 111.8 | R70 L144 R145 | R70-F147 PolarHBondContact NH1-O 2.85Å; R70-F147 PolarHBondContact NH2-O 2.78Å; L144-F147 HydrophobicContact CB-CD2 4.26Å; L144-F147 HydrophobicContact CD2-CD2 3.53Å; L144-F147 HydrophobicContact CD2-CE2 3.56Å; L144-F147 HydrophobicContact CD2-CG 4.14Å; L144-F147 HydrophobicContact CD2-CZ 4.22Å; L144-F147 HydrophobicContact CG-CD2 4.46Å; L144-F147 WeakPolarHBondContact O-CB 3.21Å; L144-F147 PolarHBondContact O-N 3Å; R145-F147 VanDerWaalsContact C-N 3.3Å |
| 148 | S | 85.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | trans | -60.6 | 134.3 | 173.8 | 169.2 | 0 | 0 | 0 | 0 | 112.5 | E85 P93 L94 L150 S151 | E85-S148 WeakPolarHBondContact OE2-CA 3.47Å; E85-S148 PolarHBondContact OE2-OG 2.88Å; P93-S148 WeakPolarHBondContact O-CB 3.17Å; L94-S148 WeakPolarHBondContact O-CB 3.3Å; L94-S148 PolarHBondContact O-OG 2.79Å; S148-L150 PolarHBondContact O-N 3.14Å; S148-L150 VanDerWaalsContact OG-CB 3.3Å; S148-L150 WeakPolarHBondContact OG-CB 3.45Å; S148-L150 PolarHBondContact OG-N 2.9Å; S148-S151 WeakPolarHBondContact O-CB 3.36Å; S148-S151 PolarHBondContact O-N 2.89Å; S148-S151 PolarHBondContact O-OG 2.84Å; S148-S151 PolarHBondContact OG-N 3.4Å | ||
| 149 | A | 88.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -64.3 | -30 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y56 R70 E85 L119 S151 T152 | Y56-A149 WeakPolarHBondContact OH-CB 3.23Å; R70-A149 VanDerWaalsContact NH2-N 3.2Å; E85-A149 PolarHBondContact OE2-N 3.31Å; L119-A149 HydrophobicContact CD1-CB 3.81Å; A149-S151 VanDerWaalsContact C-N 3.28Å; A149-S151 PolarHBondContact O-N 2.75Å; A149-T152 WeakPolarHBondContact O-CB 3.37Å; A149-T152 WeakPolarHBondContact O-CG2 3.18Å; A149-T152 PolarHBondContact O-N 2.85Å; A149-T152 PolarHBondContact O-OG1 2.92Å |
| 150 | L | 90.3 | Very high | 73.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -65.9 | -32.2 | 176.4 | -53.7 | 175.3 | 0 | 0 | 0 | 111.7 | I72 L83 E85 G95 L97 L134 S148 T152 L153 | I72-L150 HydrophobicContact CD1-CD2 4.23Å; I72-L150 HydrophobicContact CG2-CD2 4.48Å; L83-L150 HydrophobicContact CB-CD1 3.88Å; L83-L150 HydrophobicContact CB-CD2 4.15Å; L83-L150 HydrophobicContact CD2-CD2 4.2Å; E85-L150 HydrophobicContact CB-CD1 4.03Å; E85-L150 HydrophobicContact CB-CG 4.4Å; G95-L150 WeakPolarHBondContact O-CD1 3.41Å; L97-L150 HydrophobicContact CB-CB 4.06Å; L97-L150 HydrophobicContact CB-CD1 4.19Å; L97-L150 HydrophobicContact CD2-CB 4.41Å; L97-L150 HydrophobicContact CD2-CD2 4.25Å; L134-L150 HydrophobicContact CD1-CD2 3.82Å; S148-L150 PolarHBondContact O-N 3.14Å; S148-L150 VanDerWaalsContact OG-CB 3.3Å; S148-L150 WeakPolarHBondContact OG-CB 3.45Å; S148-L150 PolarHBondContact OG-N 2.9Å; L150-T152 PolarHBondContact O-N 3.27Å; L150-T152 VanDerWaalsContact O-N 3.15Å; L150-L153 WeakPolarHBondContact O-CB 3.49Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-L153 VanDerWaalsContact O-N 3.17Å |
| 151 | S | 85.6 | Confident | 74.2 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65 | -16.7 | 177.5 | 77.4 | 0 | 0 | 0 | 0 | 113.7 | S148 A149 L153 | S148-S151 WeakPolarHBondContact O-CB 3.36Å; S148-S151 PolarHBondContact O-N 2.89Å; S148-S151 PolarHBondContact O-OG 2.84Å; S148-S151 PolarHBondContact OG-N 3.4Å; A149-S151 VanDerWaalsContact C-N 3.28Å; A149-S151 PolarHBondContact O-N 2.75Å; S151-L153 PolarHBondContact O-N 2.73Å |
| 152 | T | 84.2 | Confident | 75.5 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -76 | -14.1 | 179 | 74 | 0 | 0 | 0 | 0 | 112.7 | K135 A149 L150 K154 | K135-T152 HydrophobicContact CB-CG2 4.11Å; K135-T152 PolarHBondContact N-OG1 3.49Å; A149-T152 WeakPolarHBondContact O-CB 3.37Å; A149-T152 WeakPolarHBondContact O-CG2 3.18Å; A149-T152 PolarHBondContact O-N 2.85Å; A149-T152 PolarHBondContact O-OG1 2.92Å; L150-T152 PolarHBondContact O-N 3.27Å; L150-T152 VanDerWaalsContact O-N 3.15Å; T152-K154 PolarHBondContact O-N 2.96Å |
| 153 | L | 85.8 | Confident | 77.1 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | trans | -77.8 | 120 | -179.3 | -165.7 | 62.8 | 0 | 0 | 0 | 110.7 | L31 L97 L99 I132 L134 L150 S151 I158 | L31-L153 HydrophobicContact CD1-CD2 4.01Å; L31-L153 HydrophobicContact CD1-CG 4.15Å; L97-L153 HydrophobicContact CD1-CD2 4.28Å; L97-L153 HydrophobicContact CD2-CD2 3.49Å; L97-L153 VanDerWaalsContact CD2-CD2 3.49Å; L99-L153 HydrophobicContact CD2-CD2 4.15Å; I132-L153 HydrophobicContact CG2-CD1 3.72Å; I132-L153 HydrophobicContact CG2-CD2 3.88Å; I132-L153 HydrophobicContact CG2-CG 4.49Å; L134-L153 HydrophobicContact CD2-CB 3.74Å; L134-L153 HydrophobicContact CD2-CD1 3.99Å; L134-L153 HydrophobicContact CD2-CD2 4.27Å; L134-L153 HydrophobicContact CD2-CG 4.22Å; L150-L153 WeakPolarHBondContact O-CB 3.49Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-L153 VanDerWaalsContact O-N 3.17Å; S151-L153 PolarHBondContact O-N 2.73Å; L153-I158 HydrophobicContact CD1-CD1 4.15Å; L153-I158 HydrophobicContact CD1-CG1 3.69Å; L153-I158 HydrophobicContact CD2-CD1 3.58Å; L153-I158 HydrophobicContact CD2-CG1 4.03Å; L153-I158 HydrophobicContact CG-CD1 3.74Å; L153-I158 HydrophobicContact CG-CG1 3.86Å | ||
| 154 | K | 79.4 | Confident | 79.1 | Confident | 138 Ų | 138 | 55.1 Ų | 55.1 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | trans | -111.4 | 149.6 | 174 | -61.4 | -174.3 | -179.6 | -174.4 | 0 | 109.5 | T152 S156 N157 I158 | T152-K154 PolarHBondContact O-N 2.96Å; K154-S156 PolarHBondContact O-N 3.44Å; K154-S156 VanDerWaalsContact O-N 3.13Å; K154-N157 WeakPolarHBondContact O-CB 3.44Å; K154-N157 PolarHBondContact O-N 2.98Å; K154-I158 PolarHBondContact O-N 2.83Å | ||
| 155 | E | 78.6 | Confident | 81 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.1 | -36.2 | 178.1 | -166.2 | -178.6 | 166.3 | 0 | 0 | 112.5 | N157 I158 K159 | E155-N157 VanDerWaalsContact C-N 3.29Å; E155-N157 PolarHBondContact O-N 3.17Å; E155-I158 PolarHBondContact O-N 3.23Å; E155-K159 HydrophobicContact CG-CD 4.19Å; E155-K159 PolarHBondContact O-N 3.47Å; E155-K159 VanDerWaalsContact O-N 3.13Å; E155-K159 VanDerWaalsContact OE1-CE 3.31Å; E155-K159 WeakPolarHBondContact OE1-CE 3.39Å; E155-K159 IonicContact OE1-NZ 2.81Å; E155-K159 PolarHBondContact OE1-NZ 2.78Å |
| 156 | S | 75.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.1 | -33.7 | 176.1 | 59.8 | 0 | 0 | 0 | 0 | 114 | K154 | K154-S156 PolarHBondContact O-N 3.44Å; K154-S156 VanDerWaalsContact O-N 3.13Å |
| 157 | N | 75.7 | Confident | 84 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -78 | -30.7 | -177.7 | -64.4 | -5.1 | 0 | 0 | 0 | 111.3 | K154 E155 N163 | K154-N157 WeakPolarHBondContact O-CB 3.44Å; K154-N157 PolarHBondContact O-N 2.98Å; E155-N157 VanDerWaalsContact C-N 3.29Å; E155-N157 PolarHBondContact O-N 3.17Å; N157-N163 PolarHBondContact O-ND2 3.37Å; N157-N163 VanDerWaalsContact O-ND2 3.16Å |
| 158 | I | 79 | Confident | 84.8 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75 | -43.1 | -179.4 | -63.1 | 179.3 | 0 | 0 | 0 | 111 | L31 L33 L99 L153 K154 E155 N160 | L31-I158 HydrophobicContact CB-CD1 3.93Å; L31-I158 HydrophobicContact CD1-CD1 3.28Å; L31-I158 HydrophobicContact CG-CD1 4.19Å; L33-I158 HydrophobicContact CD1-CG2 4.25Å; L33-I158 HydrophobicContact CD2-CG2 3.18Å; L33-I158 HydrophobicContact CG-CG2 3.5Å; L33-I158 VanDerWaalsContact CG-CG2 3.5Å; L99-I158 HydrophobicContact CD2-CD1 4.25Å; L153-I158 HydrophobicContact CD1-CD1 4.15Å; L153-I158 HydrophobicContact CD1-CG1 3.69Å; L153-I158 HydrophobicContact CD2-CD1 3.58Å; L153-I158 HydrophobicContact CD2-CG1 4.03Å; L153-I158 HydrophobicContact CG-CD1 3.74Å; L153-I158 HydrophobicContact CG-CG1 3.86Å; K154-I158 PolarHBondContact O-N 2.83Å; E155-I158 PolarHBondContact O-N 3.23Å; I158-N160 PolarHBondContact O-N 3.18Å; I158-N160 VanDerWaalsContact O-N 3.12Å |
| 159 | K | 77.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 55 Ų | 55 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73.9 | 5.1 | -178.8 | -70.5 | -178 | 169.2 | 174.5 | 0 | 114.1 | E155 A161 | E155-K159 HydrophobicContact CG-CD 4.19Å; E155-K159 PolarHBondContact O-N 3.47Å; E155-K159 VanDerWaalsContact O-N 3.13Å; E155-K159 VanDerWaalsContact OE1-CE 3.31Å; E155-K159 WeakPolarHBondContact OE1-CE 3.39Å; E155-K159 IonicContact OE1-NZ 2.81Å; E155-K159 PolarHBondContact OE1-NZ 2.78Å; K159-A161 PolarHBondContact O-N 3.49Å |
| 160 | N | 80.9 | Confident | 84.5 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | trans | -68.8 | 118.3 | 173.1 | -175.5 | -13.7 | 0 | 0 | 0 | 109.6 | I158 Q162 N163 | I158-N160 PolarHBondContact O-N 3.18Å; I158-N160 VanDerWaalsContact O-N 3.12Å; N160-Q162 PolarHBondContact O-N 2.85Å; N160-Q162 WeakPolarHBondContact OD1-CB 2.97Å; N160-Q162 PolarHBondContact OD1-N 3.08Å; N160-N163 WeakPolarHBondContact O-CB 2.96Å; N160-N163 PolarHBondContact O-N 2.97Å | ||
| 161 | A | 78.5 | Confident | 84.1 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 65% | 0.653 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -56.9 | -22 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K159 N163 | K159-A161 PolarHBondContact O-N 3.49Å; A161-N163 PolarHBondContact O-N 2.85Å |
| 162 | Q | 84.6 | Confident | 83.6 | Confident | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -75.5 | -8.3 | 174.3 | -63.7 | -179.9 | -28.3 | 0 | 0 | 114.1 | R131 N160 F204 S209 | R131-Q162 PolarHBondContact NH2-O 3.45Å; N160-Q162 PolarHBondContact O-N 2.85Å; N160-Q162 WeakPolarHBondContact OD1-CB 2.97Å; N160-Q162 PolarHBondContact OD1-N 3.08Å; Q162-F204 WeakPolarHBondContact O-CD1 3.37Å; Q162-S209 PolarHBondContact NE2-O 2.84Å |
| 163 | N | 89.6 | Confident | 83.6 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -108.6 | 1.1 | -178.5 | -72.4 | -22.3 | 0 | 0 | 0 | 112.8 | Y130 R131 N157 N160 A161 | Y130-N163 WeakPolarHBondContact CA-O 3.34Å; R131-N163 PolarHBondContact N-O 3.04Å; R131-N163 PolarHBondContact NE-OD1 2.88Å; R131-N163 PolarHBondContact NH2-OD1 3.15Å; R131-N163 VanDerWaalsContact O-CB 3.32Å; R131-N163 WeakPolarHBondContact O-CB 3.07Å; N157-N163 PolarHBondContact O-ND2 3.37Å; N157-N163 VanDerWaalsContact O-ND2 3.16Å; N160-N163 WeakPolarHBondContact O-CB 2.96Å; N160-N163 PolarHBondContact O-N 2.97Å; A161-N163 PolarHBondContact O-N 2.85Å |
| 164 | S | 92.6 | Very high | 83.7 | Confident | 39 Ų | 39 | 66.1 Ų | 66.1 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.2 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | T129 | T129-S164 CarbonylContact O-C 3.53Å; T129-S164 VanDerWaalsContact O-CA 3.24Å; T129-S164 WeakPolarHBondContact O-CA 3.29Å |
| 165 | F | 93.5 | Very high | 84.2 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 20% | 0.197 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 114.7 | 175.9 | -177.4 | -100.9 | 0 | 0 | 0 | 109.9 | A128 T129 Y167 V202 F204 P213 Q215 | A128-F165 CarbonylContact C-O 3.6Å; A128-F165 VanDerWaalsContact CA-O 3.26Å; A128-F165 WeakPolarHBondContact CA-O 3.3Å; T129-F165 PolarHBondContact N-O 2.88Å; T129-F165 PolarHBondContact O-N 2.9Å; T129-F165 PolarHBondContact OG1-O 3.26Å; F165-Y167 PolarHBondContact O-N 3.22Å; F165-V202 HydrophobicContact CB-CG1 4.36Å; F165-V202 HydrophobicContact CD1-CG1 3.54Å; F165-V202 HydrophobicContact CD1-CG2 4.29Å; F165-V202 HydrophobicContact CE1-CG1 4.15Å; F165-V202 HydrophobicContact CE1-CG2 4.45Å; F165-V202 HydrophobicContact CG-CG1 4.19Å; F165-F204 HydrophobicContact CB-CE1 4.22Å; F165-F204 HydrophobicContact CB-CE2 4.17Å; F165-F204 HydrophobicContact CB-CZ 3.54Å; F165-P213 HydrophobicContact CB-CB 3.91Å; F165-P213 HydrophobicContact CB-CG 4.06Å; F165-P213 HydrophobicContact CD2-CB 3.59Å; F165-P213 HydrophobicContact CD2-CG 3.96Å; F165-P213 HydrophobicContact CE2-CB 4.23Å; F165-P213 HydrophobicContact CG-CB 3.78Å; F165-P213 HydrophobicContact CG-CG 4.29Å; F165-Q215 HydrophobicContact CE1-CB 4.01Å; F165-Q215 HydrophobicContact CE1-CG 4.39Å; F165-Q215 HydrophobicContact CZ-CB 4.36Å; F165-Q215 HydrophobicContact CZ-CG 4.38Å |
| 166 | S | 93.1 | Very high | 84.7 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114 | 168.6 | -59 | 0 | 0 | 0 | 0 | 108.7 | ||
| 167 | Y | 91.7 | Very high | 85.4 | Confident | 19 Ų | 19 | 54 Ų | 54 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 163.5 | -178.6 | 54.3 | -104.6 | 0 | 0 | 0 | 111 | T125 T126 A127 A128 T129 F165 P175 L192 L200 V202 | T125-Y167 PolarHBondContact O-OH 2.96Å; T126-Y167 WeakPolarHBondContact CA-OH 3.43Å; T126-Y167 PolarHBondContact O-OH 2.85Å; T126-Y167 VanDerWaalsContact O-OH 3.06Å; A127-Y167 VanDerWaalsContact C-CE1 3.43Å; A127-Y167 VanDerWaalsContact C-CZ 3.48Å; A127-Y167 PolarHBondContact N-OH 3.05Å; A127-Y167 VanDerWaalsContact N-OH 3.16Å; A127-Y167 PolarHBondContact O-N 2.99Å; A128-Y167 VanDerWaalsContact C-CE1 3.49Å; A128-Y167 VanDerWaalsContact N-CE1 3.28Å; T129-Y167 HydrophobicContact CG2-CD1 4.11Å; T129-Y167 HydrophobicContact CG2-CE1 4.12Å; F165-Y167 PolarHBondContact O-N 3.22Å; Y167-P175 HydrophobicContact CE2-CG 3.71Å; Y167-P175 WeakPolarHBondContact OH-CD 3.31Å; Y167-P175 WeakPolarHBondContact OH-CG 3.43Å; Y167-L192 HydrophobicContact CD1-CD1 3.78Å; Y167-L192 HydrophobicContact CD2-CD1 4.43Å; Y167-L192 HydrophobicContact CE1-CD1 3.5Å; Y167-L192 VanDerWaalsContact CE1-CD1 3.5Å; Y167-L192 HydrophobicContact CE2-CD1 4.21Å; Y167-L192 HydrophobicContact CG-CD1 4.22Å; Y167-L200 HydrophobicContact CD2-CD2 3.51Å; Y167-L200 HydrophobicContact CE2-CD2 4.1Å; Y167-L200 HydrophobicContact CG-CD2 3.85Å; Y167-V202 HydrophobicContact CD1-CG2 4.32Å; Y167-V202 HydrophobicContact CG-CG2 4.49Å |
| 168 | S | 90.2 | Very high | 86.3 | Confident | 80 Ų | 80 | 51 Ų | 51 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 116.2 | 171.1 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 169 | C | 85.5 | Confident | 87.1 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 132.4 | 176.9 | -159.2 | 0 | 0 | 0 | 0 | 110.1 | T171 E173 | C169-T171 PolarHBondContact O-N 2.94Å; C169-T171 PolarHBondContact SG-OG1 3.03Å; C169-E173 PolarHBondContact SG-O 3.16Å |
| 170 | P | 83.3 | Confident | 88 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.6 | -13.6 | 176.9 | 29.5 | -34.7 | 0 | 0 | 0 | 114 | V194 I217 | P170-V194 HydrophobicContact CG-CG2 4.14Å; P170-I217 HydrophobicContact CB-CD1 3.62Å; P170-I217 HydrophobicContact CG-CD1 3.98Å; P170-I217 HydrophobicContact CG-CG1 4.4Å |
| 171 | T | 80.7 | Confident | 88.7 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -110.1 | 162.5 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | C169 E173 V194 E195 D196 | C169-T171 PolarHBondContact O-N 2.94Å; C169-T171 PolarHBondContact SG-OG1 3.03Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact OG1-O 3.28Å; T171-V194 HydrophobicContact CG2-CB 4.4Å; T171-E195 HydrophobicContact CG2-CB 4.22Å; T171-D196 HydrophobicContact CG2-CB 4.26Å |
| 172 | S | 76.8 | Confident | 89.4 | Confident | 117 Ų | 117 | 38.9 Ų | 38.9 | 82% | 0.818 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -66 | -34.6 | 172.5 | 50 | 0 | 0 | 0 | 0 | 112.2 | ||
| 173 | E | 83.4 | Confident | 89.7 | Confident | 98 Ų | 98 | 36.8 Ų | 36.8 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -82.6 | 143.3 | 177.5 | -64.9 | -56.4 | 136.6 | 0 | 0 | 111.5 | C169 T171 E195 | C169-E173 PolarHBondContact SG-O 3.16Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact OG1-O 3.28Å; E173-E195 HydrophobicContact CB-CG 4.31Å |
| 174 | P | 87.9 | Confident | 89.6 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 160.9 | 174.7 | 29.1 | -31.6 | 0 | 0 | 0 | 111.3 | L45 T126 | L45-P174 HydrophobicContact CD1-CG 3.74Å; L45-P174 HydrophobicContact CD2-CG 4.26Å; T126-P174 HydrophobicContact CG2-CB 4.36Å |
| 175 | P | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 147.1 | 175.1 | -18.1 | 31.9 | 0 | 0 | 0 | 111.6 | L107 Y167 L192 A193 V194 | L107-P175 HydrophobicContact CD1-CB 3.91Å; L107-P175 WeakPolarHBondContact CD2-O 3.38Å; Y167-P175 HydrophobicContact CE2-CG 3.71Å; Y167-P175 WeakPolarHBondContact OH-CD 3.31Å; Y167-P175 WeakPolarHBondContact OH-CG 3.43Å; P175-L192 HydrophobicContact CB-CB 3.98Å; P175-L192 HydrophobicContact CG-CB 4.25Å; P175-L192 HydrophobicContact CG-CD1 4.4Å; P175-A193 VanDerWaalsContact CA-O 3.23Å; P175-A193 WeakPolarHBondContact CA-O 3.46Å; P175-A193 WeakPolarHBondContact CB-O 3.34Å; P175-V194 HydrophobicContact CB-CG1 4.02Å; P175-V194 HydrophobicContact CG-CG1 3.78Å |
| 176 | Y | 87.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 48 Ų | 48 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | trans | -118.5 | -12.8 | -173.9 | 51.6 | -95.6 | 0 | 0 | 0 | 114 | A193 V194 E195 S245 A246 F265 | Y176-A193 HydrophobicContact CD2-CB 4.31Å; Y176-A193 HydrophobicContact CE2-CB 3.74Å; Y176-A193 PolarHBondContact N-O 2.72Å; Y176-V194 PolarHBondContact OH-O 3.23Å; Y176-E195 HydrophobicContact CE1-CG 4.2Å; Y176-S245 WeakPolarHBondContact OH-CB 3.41Å; Y176-A246 WeakPolarHBondContact CE2-O 3.36Å; Y176-A246 PolarHBondContact OH-O 2.7Å; Y176-A246 VanDerWaalsContact OH-O 3.04Å; Y176-F265 HydrophobicContact CE2-CE2 4.38Å | ||
| 177 | A | 90.9 | Very high | 89.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L192 A193 L249 | A177-L192 WeakPolarHBondContact O-CA 3.24Å; A177-A193 HydrophobicContact CB-CB 4.19Å; A177-A193 PolarHBondContact O-N 3.47Å; A177-L249 HydrophobicContact CB-CD1 3.73Å |
| 178 | S | 94.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 165.5 | 177.8 | 77.6 | 0 | 0 | 0 | 0 | 112.9 | R108 G109 A191 | R108-S178 CarbonylContact O-C 3.52Å; R108-S178 VanDerWaalsContact O-CA 3.28Å; R108-S178 WeakPolarHBondContact O-CA 3.49Å; R108-S178 WeakPolarHBondContact O-CB 3.43Å; R108-S178 PolarHBondContact O-N 2.77Å; R108-S178 PolarHBondContact O-OG 2.83Å; G109-S178 WeakPolarHBondContact CA-O 3.16Å; S178-A191 CarbonylContact C-O 3.59Å; S178-A191 WeakPolarHBondContact CA-O 3.35Å; S178-A191 WeakPolarHBondContact CB-O 3.34Å |
| 179 | A | 95.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | F190 A191 L249 F251 L260 | A179-F190 WeakPolarHBondContact O-CA 3.49Å; A179-A191 PolarHBondContact N-O 3.33Å; A179-A191 PolarHBondContact O-N 2.92Å; A179-L249 HydrophobicContact CB-CB 3.76Å; A179-F251 HydrophobicContact CB-CD2 3.96Å; A179-F251 HydrophobicContact CB-CE2 4.12Å; A179-F251 WeakPolarHBondContact O-CE2 3.2Å; A179-L260 HydrophobicContact CB-CD1 4.31Å |
| 180 | C | 96 | Very high | 90.3 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.6 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | F113 L122 V189 F190 F251 | F113-C180 HydrophobicContact CE2-CB 4.19Å; F113-C180 WeakPolarHBondContact CZ-O 3.33Å; L122-C180 HydrophobicContact CB-CB 3.76Å; L122-C180 HydrophobicContact CD1-CB 4.01Å; C180-V189 CarbonylContact C-O 3.48Å; C180-V189 WeakPolarHBondContact CA-O 3.03Å; C180-F190 WeakPolarHBondContact SG-CD1 3.49Å; C180-F251 WeakPolarHBondContact O-CD2 3.42Å |
| 181 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V189 F251 P254 L258 | A181-V189 PolarHBondContact N-O 3.36Å; A181-V189 PolarHBondContact O-N 3.39Å; A181-F251 HydrophobicContact CB-CB 3.92Å; A181-F251 HydrophobicContact CB-CD1 4.18Å; A181-F251 HydrophobicContact CB-CD2 3.43Å; A181-F251 VanDerWaalsContact CB-CD2 3.43Å; A181-F251 HydrophobicContact CB-CE2 3.86Å; A181-F251 HydrophobicContact CB-CG 3.58Å; A181-F251 HydrophobicContact CB-CZ 4.41Å; A181-P254 HydrophobicContact CB-CB 3.84Å; A181-P254 HydrophobicContact CB-CG 4.2Å; A181-L258 HydrophobicContact CB-CD1 3.99Å |
| 182 | L | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123 | 165.7 | -167.8 | 72.9 | 0 | 0 | 0 | 108.5 | F113 T115 Y120 E187 | F113-L182 HydrophobicContact CB-CB 3.96Å; F113-L182 HydrophobicContact CB-CD2 3.76Å; F113-L182 HydrophobicContact CB-CG 4.48Å; F113-L182 HydrophobicContact CD1-CB 3.85Å; F113-L182 HydrophobicContact CD2-CB 4.01Å; F113-L182 HydrophobicContact CE1-CB 4.37Å; F113-L182 HydrophobicContact CG-CB 3.66Å; F113-L182 HydrophobicContact CG-CD2 4.41Å; T115-L182 HydrophobicContact CG2-CD2 3.69Å; Y120-L182 HydrophobicContact CD1-CD1 4.19Å; Y120-L182 HydrophobicContact CD2-CD1 4.31Å; Y120-L182 HydrophobicContact CD2-CD2 3.61Å; Y120-L182 HydrophobicContact CE2-CD2 4Å; Y120-L182 HydrophobicContact CG-CD1 4.1Å; Y120-L182 HydrophobicContact CG-CD2 4.1Å; L182-E187 WeakPolarHBondContact CA-O 3.31Å |
| 183 | T | 91.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | trans | -76.4 | 168.2 | 177.3 | 77.7 | 0 | 0 | 0 | 0 | 110.8 | N185 E186 E187 V189 | T183-N185 PolarHBondContact O-N 3.18Å; T183-N185 VanDerWaalsContact O-N 3.12Å; T183-N185 PolarHBondContact OG1-N 2.8Å; T183-E186 PolarHBondContact O-N 3.23Å; T183-E187 HydrophobicContact CG2-CB 3.98Å; T183-E187 PolarHBondContact N-O 3.21Å; T183-E187 VanDerWaalsContact OG1-CB 3.28Å; T183-E187 WeakPolarHBondContact OG1-CB 3.45Å; T183-E187 PolarHBondContact OG1-N 3.38Å; T183-E187 PolarHBondContact OG1-OE2 2.92Å; T183-V189 HydrophobicContact CG2-CG2 4.02Å | ||
| 184 | K | 87.4 | Confident | 92.7 | Very high | 173 Ų | 173 | 26.2 Ų | 26.2 | 75% | 0.752 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.6 | 175.1 | -166.3 | -179.7 | 179.3 | -176.9 | 0 | 113 | E186 | K184-E186 VanDerWaalsContact C-N 3.29Š|
| 185 | N | 89.1 | Confident | 92.5 | Very high | 109 Ų | 109 | 27.2 Ų | 27.2 | 58% | 0.583 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 13.2 | 177.8 | -62.2 | -22.1 | 0 | 0 | 0 | 112.8 | T183 E187 P206 | T183-N185 PolarHBondContact O-N 3.18Å; T183-N185 VanDerWaalsContact O-N 3.12Å; T183-N185 PolarHBondContact OG1-N 2.8Å; N185-E187 HydrophobicContact CB-CG 4.25Å; N185-E187 PolarHBondContact O-N 3.46Å; N185-P206 WeakPolarHBondContact O-CB 2.99Å; N185-P206 WeakPolarHBondContact O-CG 3.4Å |
| 186 | E | 91 | Very high | 92.1 | Very high | 48 Ų | 48 | 31.8 Ų | 31.8 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | trans | 60.4 | 27.5 | -174.6 | -52.4 | -167.3 | 156.8 | 0 | 0 | 114 | T115 R118 Y120 T183 K184 | T115-E186 WeakPolarHBondContact CB-OE1 3.37Å; T115-E186 HydrophobicContact CG2-CG 4.24Å; T115-E186 WeakPolarHBondContact CG2-OE1 3.38Å; T115-E186 PolarHBondContact OG1-OE1 3.05Å; R118-E186 IonicContact NH1-OE2 3Å; Y120-E186 PolarHBondContact OH-OE2 2.93Å; T183-E186 PolarHBondContact O-N 3.23Å; K184-E186 VanDerWaalsContact C-N 3.29Å | ||
| 187 | E | 93.6 | Very high | 91.9 | Very high | 65 Ų | 65 | 29.5 Ų | 29.5 | 30% | 0.304 | 15% | 0.149 | S | C | . | . | trans | -79.5 | 129.6 | 170.3 | -57.2 | 163.3 | 149.8 | 0 | 0 | 109.1 | L182 T183 N185 F204 P206 | L182-E187 WeakPolarHBondContact CA-O 3.31Å; T183-E187 HydrophobicContact CG2-CB 3.98Å; T183-E187 PolarHBondContact N-O 3.21Å; T183-E187 VanDerWaalsContact OG1-CB 3.28Å; T183-E187 WeakPolarHBondContact OG1-CB 3.45Å; T183-E187 PolarHBondContact OG1-N 3.38Å; T183-E187 PolarHBondContact OG1-OE2 2.92Å; N185-E187 HydrophobicContact CB-CG 4.25Å; N185-E187 PolarHBondContact O-N 3.46Å; E187-F204 WeakPolarHBondContact CA-O 3.27Å; E187-F204 WeakPolarHBondContact CB-O 3.41Å; E187-P206 HydrophobicContact CG-CG 4.19Å | ||
| 188 | A | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | L122 R131 F190 R203 F204 | L122-A188 HydrophobicContact CD1-CB 3.89Å; L122-A188 HydrophobicContact CD2-CB 3.76Å; R131-A188 HydrophobicContact CG-CB 4.23Å; A188-F190 HydrophobicContact CB-CE2 4.03Å; A188-R203 WeakPolarHBondContact O-CA 3.11Å; A188-F204 HydrophobicContact CB-CB 4.19Å; A188-F204 HydrophobicContact CB-CD2 4.49Å; A188-F204 PolarHBondContact N-O 2.81Å; A188-F204 PolarHBondContact O-N 3.34Å |
| 189 | V | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.9 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | C180 A181 T183 L201 V202 R203 F251 L258 | C180-V189 CarbonylContact C-O 3.48Å; C180-V189 WeakPolarHBondContact CA-O 3.03Å; A181-V189 PolarHBondContact N-O 3.36Å; A181-V189 PolarHBondContact O-N 3.39Å; T183-V189 HydrophobicContact CG2-CG2 4.02Å; V189-L201 HydrophobicContact CG1-CD1 3.78Å; V189-L201 HydrophobicContact CG1-CD2 4.27Å; V189-L201 HydrophobicContact CG1-CG 3.97Å; V189-V202 WeakPolarHBondContact CA-O 3.28Å; V189-R203 HydrophobicContact CG1-CG 3.89Å; V189-R203 HydrophobicContact CG2-CG 4.18Å; V189-F251 HydrophobicContact CG1-CZ 4.03Å; V189-L258 HydrophobicContact CB-CD2 4.11Å; V189-L258 HydrophobicContact CG1-CD2 3.58Å; V189-L258 HydrophobicContact CG2-CD2 4.1Å |
| 190 | F | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.1 | -179.6 | -57.8 | -100.4 | 0 | 0 | 0 | 108.3 | L122 A124 T129 Y130 A179 C180 A188 L201 V202 F204 | L122-F190 HydrophobicContact CB-CE1 3.76Å; L122-F190 HydrophobicContact CB-CZ 3.87Å; L122-F190 HydrophobicContact CD1-CZ 4.44Å; L122-F190 HydrophobicContact CD2-CZ 4.04Å; L122-F190 HydrophobicContact CG-CZ 4.33Å; A124-F190 HydrophobicContact CB-CD1 4.23Å; T129-F190 HydrophobicContact CG2-CB 3.84Å; T129-F190 HydrophobicContact CG2-CD1 3.78Å; T129-F190 HydrophobicContact CG2-CD2 4.11Å; T129-F190 HydrophobicContact CG2-CE1 4.35Å; T129-F190 HydrophobicContact CG2-CG 3.64Å; Y130-F190 WeakPolarHBondContact O-CZ 3.28Å; A179-F190 WeakPolarHBondContact O-CA 3.49Å; C180-F190 WeakPolarHBondContact SG-CD1 3.49Å; A188-F190 HydrophobicContact CB-CE2 4.03Å; F190-L201 CarbonylContact O-C 3.5Å; F190-L201 VanDerWaalsContact O-CA 3.27Å; F190-L201 WeakPolarHBondContact O-CA 3.35Å; F190-L201 WeakPolarHBondContact O-CD1 3.47Å; F190-V202 HydrophobicContact CB-CB 4.26Å; F190-V202 PolarHBondContact N-O 2.94Å; F190-V202 PolarHBondContact O-N 2.58Å; F190-F204 HydrophobicContact CD2-CD2 4.11Å; F190-F204 HydrophobicContact CD2-CE2 4.02Å; F190-F204 AromaticContact CE2-CD2 3.62Å; F190-F204 HydrophobicContact CE2-CD2 3.62Å; F190-F204 AromaticContact CE2-CE2 3.54Å; F190-F204 HydrophobicContact CE2-CE2 3.54Å; F190-F204 HydrophobicContact CZ-CE2 4.42Å |
| 191 | A | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S178 A179 I199 L201 L249 F251 L260 | S178-A191 CarbonylContact C-O 3.59Å; S178-A191 WeakPolarHBondContact CA-O 3.35Å; S178-A191 WeakPolarHBondContact CB-O 3.34Å; A179-A191 PolarHBondContact N-O 3.33Å; A179-A191 PolarHBondContact O-N 2.92Å; A191-I199 HydrophobicContact CB-CG2 3.87Å; A191-L201 HydrophobicContact CB-CD1 3.91Å; A191-L249 HydrophobicContact CB-CD2 4.39Å; A191-F251 HydrophobicContact CB-CE2 3.96Å; A191-F251 HydrophobicContact CB-CZ 3.68Å; A191-L260 HydrophobicContact CB-CD1 3.74Å; A191-L260 HydrophobicContact CB-CD2 3.69Å; A191-L260 HydrophobicContact CB-CG 4.34Å |
| 192 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.8 | -176.3 | -56.2 | 170 | 0 | 0 | 0 | 108.3 | L107 A124 T129 Y167 P175 A177 V194 I199 L200 V202 | L107-L192 HydrophobicContact CD1-CD2 3.96Å; A124-L192 HydrophobicContact CB-CD2 3.53Å; T129-L192 HydrophobicContact CG2-CD1 4.38Å; Y167-L192 HydrophobicContact CD1-CD1 3.78Å; Y167-L192 HydrophobicContact CD2-CD1 4.43Å; Y167-L192 HydrophobicContact CE1-CD1 3.5Å; Y167-L192 VanDerWaalsContact CE1-CD1 3.5Å; Y167-L192 HydrophobicContact CE2-CD1 4.21Å; Y167-L192 HydrophobicContact CG-CD1 4.22Å; P175-L192 HydrophobicContact CB-CB 3.98Å; P175-L192 HydrophobicContact CG-CB 4.25Å; P175-L192 HydrophobicContact CG-CD1 4.4Å; A177-L192 WeakPolarHBondContact O-CA 3.24Å; L192-V194 PolarHBondContact O-N 3.04Å; L192-I199 WeakPolarHBondContact O-CA 3.39Å; L192-L200 HydrophobicContact CB-CB 4.15Å; L192-L200 WeakPolarHBondContact CB-O 3.08Å; L192-L200 HydrophobicContact CD1-CB 4.48Å; L192-L200 HydrophobicContact CD1-CD2 3.83Å; L192-L200 HydrophobicContact CD1-CG 4.09Å; L192-L200 PolarHBondContact N-O 2.91Å; L192-L200 PolarHBondContact O-N 2.88Å; L192-V202 HydrophobicContact CD1-CG2 4.28Å |
| 193 | A | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | P175 Y176 A177 A246 L249 | P175-A193 VanDerWaalsContact CA-O 3.23Å; P175-A193 WeakPolarHBondContact CA-O 3.46Å; P175-A193 WeakPolarHBondContact CB-O 3.34Å; Y176-A193 HydrophobicContact CD2-CB 4.31Å; Y176-A193 HydrophobicContact CE2-CB 3.74Å; Y176-A193 PolarHBondContact N-O 2.72Å; A177-A193 HydrophobicContact CB-CB 4.19Å; A177-A193 PolarHBondContact O-N 3.47Å; A193-A246 HydrophobicContact CB-CB 4.23Å; A193-A246 WeakPolarHBondContact CB-O 3.43Å; A193-L249 HydrophobicContact CB-CD1 3.6Å; A193-L249 HydrophobicContact CB-CD2 4.16Å; A193-L249 HydrophobicContact CB-CG 4.46Å |
| 194 | V | 89.3 | Confident | 92.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -116.6 | 171.9 | 172.5 | -66.9 | 0 | 0 | 0 | 0 | 108.4 | P170 T171 P175 Y176 L192 C198 L200 | P170-V194 HydrophobicContact CG-CG2 4.14Å; T171-V194 HydrophobicContact CG2-CB 4.4Å; P175-V194 HydrophobicContact CB-CG1 4.02Å; P175-V194 HydrophobicContact CG-CG1 3.78Å; Y176-V194 PolarHBondContact OH-O 3.23Å; L192-V194 PolarHBondContact O-N 3.04Å; V194-C198 HydrophobicContact CG2-CB 3.62Å; V194-C198 WeakPolarHBondContact CG2-O 3.33Å; V194-L200 HydrophobicContact CG1-CB 4.33Å | ||
| 195 | E | 83 | Confident | 92.5 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 25% | 0.248 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -69.6 | -178.6 | 171.7 | -61.3 | -162.5 | 147.8 | 0 | 0 | 111.1 | T171 E173 Y176 S197 | T171-E195 HydrophobicContact CG2-CB 4.22Å; E173-E195 HydrophobicContact CB-CG 4.31Å; Y176-E195 HydrophobicContact CE1-CG 4.2Å; E195-S197 PolarHBondContact O-N 3.24Å |
| 196 | D | 82.6 | Confident | 92.7 | Very high | 96 Ų | 96 | 18.6 Ų | 18.6 | 51% | 0.513 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 35.1 | 175.8 | -59.5 | -27.3 | 0 | 0 | 0 | 116.1 | T171 C198 S245 | T171-D196 HydrophobicContact CG2-CB 4.26Å; D196-C198 PolarHBondContact O-N 3.15Å; D196-C198 VanDerWaalsContact O-N 3.15Å; D196-C198 PolarHBondContact O-SG 3.06Å; D196-S245 PolarHBondContact N-OG 3.43Å |
| 197 | S | 83.6 | Confident | 92.6 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 12% | 0.119 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 27.1 | 174.8 | -41.2 | 0 | 0 | 0 | 0 | 114.4 | E195 C242 E244 S245 | E195-S197 PolarHBondContact O-N 3.24Å; S197-C242 PolarHBondContact OG-SG 2.71Å; S197-E244 VanDerWaalsContact OG-CB 3.24Å; S197-E244 WeakPolarHBondContact OG-CB 3.21Å; S197-E244 PolarHBondContact OG-OE2 2.75Å; S197-E244 VanDerWaalsContact OG-OE2 3.13Å; S197-S245 PolarHBondContact N-OG 3.23Å |
| 198 | C | 88.6 | Confident | 92.3 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 153.9 | -176.9 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | V194 D196 I217 L218 W219 | V194-C198 HydrophobicContact CG2-CB 3.62Å; V194-C198 WeakPolarHBondContact CG2-O 3.33Å; D196-C198 PolarHBondContact O-N 3.15Å; D196-C198 VanDerWaalsContact O-N 3.15Å; D196-C198 PolarHBondContact O-SG 3.06Å; C198-I217 HydrophobicContact CB-CG2 3.94Å; C198-L218 WeakPolarHBondContact CA-O 3.38Å; C198-W219 WeakPolarHBondContact SG-CZ3 2.97Å |
| 199 | I | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.3 | 168 | -55.6 | -62.6 | 0 | 0 | 0 | 107.9 | A191 L192 I217 L218 A246 L249 L260 T262 W272 | A191-I199 HydrophobicContact CB-CG2 3.87Å; L192-I199 WeakPolarHBondContact O-CA 3.39Å; I199-I217 WeakPolarHBondContact O-CA 3.2Å; I199-L218 HydrophobicContact CB-CB 4.12Å; I199-L218 HydrophobicContact CB-CD1 4.09Å; I199-L218 HydrophobicContact CB-CG 4.21Å; I199-L218 HydrophobicContact CG2-CD1 4.12Å; I199-L218 PolarHBondContact N-O 2.77Å; I199-L218 VanDerWaalsContact N-O 3.08Å; I199-L218 PolarHBondContact O-N 2.81Å; I199-A246 HydrophobicContact CD1-CB 3.75Å; I199-L249 HydrophobicContact CD1-CD2 3.72Å; I199-L260 HydrophobicContact CG1-CD2 4.24Å; I199-L260 HydrophobicContact CG2-CD2 3.79Å; I199-T262 HydrophobicContact CD1-CG2 4.19Å; I199-W272 HydrophobicContact CG1-CH2 4.47Å; I199-W272 HydrophobicContact CG1-CZ2 4.25Å |
| 200 | L | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.5 | 170 | 173.1 | 64.6 | 0 | 0 | 0 | 108.6 | Y167 L192 V194 Q215 I217 | Y167-L200 HydrophobicContact CD2-CD2 3.51Å; Y167-L200 HydrophobicContact CE2-CD2 4.1Å; Y167-L200 HydrophobicContact CG-CD2 3.85Å; L192-L200 HydrophobicContact CB-CB 4.15Å; L192-L200 WeakPolarHBondContact CB-O 3.08Å; L192-L200 HydrophobicContact CD1-CB 4.48Å; L192-L200 HydrophobicContact CD1-CD2 3.83Å; L192-L200 HydrophobicContact CD1-CG 4.09Å; L192-L200 PolarHBondContact N-O 2.91Å; L192-L200 PolarHBondContact O-N 2.88Å; V194-L200 HydrophobicContact CG1-CB 4.33Å; L200-Q215 HydrophobicContact CD1-CB 4.23Å; L200-I217 HydrophobicContact CD1-CG1 4.28Å |
| 201 | L | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.7 | -179.4 | -163.5 | 82 | 0 | 0 | 0 | 109.7 | V189 F190 A191 R203 Q215 E216 F251 C274 | V189-L201 HydrophobicContact CG1-CD1 3.78Å; V189-L201 HydrophobicContact CG1-CD2 4.27Å; V189-L201 HydrophobicContact CG1-CG 3.97Å; F190-L201 CarbonylContact O-C 3.5Å; F190-L201 VanDerWaalsContact O-CA 3.27Å; F190-L201 WeakPolarHBondContact O-CA 3.35Å; F190-L201 WeakPolarHBondContact O-CD1 3.47Å; A191-L201 HydrophobicContact CB-CD1 3.91Å; L201-R203 HydrophobicContact CD2-CG 4.4Å; L201-R203 VanDerWaalsContact CD2-CZ 3.48Å; L201-R203 VanDerWaalsContact CD2-NE 3.34Å; L201-R203 VanDerWaalsContact CD2-NH2 3.25Å; L201-Q215 CarbonylContact O-C 3.6Å; L201-Q215 VanDerWaalsContact O-CA 3.27Å; L201-Q215 WeakPolarHBondContact O-CA 3.44Å; L201-E216 HydrophobicContact CB-CG 3.84Å; L201-E216 HydrophobicContact CD2-CG 3.96Å; L201-E216 WeakPolarHBondContact CD2-OE1 3.43Å; L201-E216 HydrophobicContact CG-CG 4.46Å; L201-E216 PolarHBondContact N-O 3.42Å; L201-E216 PolarHBondContact O-N 2.77Å; L201-F251 HydrophobicContact CD1-CZ 4.05Å; L201-C274 HydrophobicContact CD2-CB 4.03Å |
| 202 | V | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.1 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | T129 F165 Y167 V189 F190 L192 F204 T214 Q215 | T129-V202 HydrophobicContact CG2-CB 4.3Å; T129-V202 HydrophobicContact CG2-CG2 4.35Å; T129-V202 WeakPolarHBondContact OG1-CG1 3.2Å; F165-V202 HydrophobicContact CB-CG1 4.36Å; F165-V202 HydrophobicContact CD1-CG1 3.54Å; F165-V202 HydrophobicContact CD1-CG2 4.29Å; F165-V202 HydrophobicContact CE1-CG1 4.15Å; F165-V202 HydrophobicContact CE1-CG2 4.45Å; F165-V202 HydrophobicContact CG-CG1 4.19Å; Y167-V202 HydrophobicContact CD1-CG2 4.32Å; Y167-V202 HydrophobicContact CG-CG2 4.49Å; V189-V202 WeakPolarHBondContact CA-O 3.28Å; F190-V202 HydrophobicContact CB-CB 4.26Å; F190-V202 PolarHBondContact N-O 2.94Å; F190-V202 PolarHBondContact O-N 2.58Å; L192-V202 HydrophobicContact CD1-CG2 4.28Å; V202-F204 HydrophobicContact CG1-CD2 4.45Å; V202-F204 HydrophobicContact CG1-CE2 3.98Å; V202-T214 CarbonylContact C-O 3.52Å; V202-T214 WeakPolarHBondContact CA-O 3.44Å; V202-Q215 HydrophobicContact CG2-CB 4.4Å |
| 203 | R | 95.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.7 | -177.7 | -61.4 | 174.5 | 179.7 | -89.1 | 7.8 | 111.1 | A188 V189 L201 P213 T214 E216 L258 C274 | A188-R203 WeakPolarHBondContact O-CA 3.11Å; V189-R203 HydrophobicContact CG1-CG 3.89Å; V189-R203 HydrophobicContact CG2-CG 4.18Å; L201-R203 HydrophobicContact CD2-CG 4.4Å; L201-R203 VanDerWaalsContact CD2-CZ 3.48Å; L201-R203 VanDerWaalsContact CD2-NE 3.34Å; L201-R203 VanDerWaalsContact CD2-NH2 3.25Å; R203-P213 CarbonylContact O-C 3.54Å; R203-P213 WeakPolarHBondContact O-CA 3.16Å; R203-T214 PolarHBondContact N-O 2.55Å; R203-T214 PolarHBondContact O-N 2.87Å; R203-E216 IonicContact CZ-OE1 2.77Å; R203-E216 IonicContact NE-OE1 3.73Å; R203-E216 PolarHBondContact NE-OE1 2.85Å; R203-E216 IonicContact NH2-OE1 3.49Å; R203-E216 PolarHBondContact NH2-OE1 2.86Å; R203-L258 VanDerWaalsContact NH1-CD2 3.3Å; R203-C274 VanDerWaalsContact NH2-CB 3.34Å |
| 204 | F | 95.7 | Very high | 91 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.1 | 167 | -67 | -109.7 | 0 | 0 | 0 | 108.4 | T129 R131 Q162 F165 E187 A188 F190 V202 P213 | T129-F204 WeakPolarHBondContact OG1-CE2 3.27Å; R131-F204 HydrophobicContact CB-CD1 4.48Å; Q162-F204 WeakPolarHBondContact O-CD1 3.37Å; F165-F204 HydrophobicContact CB-CE1 4.22Å; F165-F204 HydrophobicContact CB-CE2 4.17Å; F165-F204 HydrophobicContact CB-CZ 3.54Å; E187-F204 WeakPolarHBondContact CA-O 3.27Å; E187-F204 WeakPolarHBondContact CB-O 3.41Å; A188-F204 HydrophobicContact CB-CB 4.19Å; A188-F204 HydrophobicContact CB-CD2 4.49Å; A188-F204 PolarHBondContact N-O 2.81Å; A188-F204 PolarHBondContact O-N 3.34Å; F190-F204 HydrophobicContact CD2-CD2 4.11Å; F190-F204 HydrophobicContact CD2-CE2 4.02Å; F190-F204 AromaticContact CE2-CD2 3.62Å; F190-F204 HydrophobicContact CE2-CD2 3.62Å; F190-F204 AromaticContact CE2-CE2 3.54Å; F190-F204 HydrophobicContact CE2-CE2 3.54Å; F190-F204 HydrophobicContact CZ-CE2 4.42Å; V202-F204 HydrophobicContact CG1-CD2 4.45Å; V202-F204 HydrophobicContact CG1-CE2 3.98Å; F204-P213 HydrophobicContact CD1-CB 4.03Å; F204-P213 HydrophobicContact CD1-CG 3.49Å; F204-P213 VanDerWaalsContact CD1-CG 3.49Å; F204-P213 HydrophobicContact CD2-CB 4.34Å; F204-P213 HydrophobicContact CE1-CB 4.06Å; F204-P213 HydrophobicContact CE1-CG 3.45Å; F204-P213 VanDerWaalsContact CE1-CG 3.45Å; F204-P213 HydrophobicContact CE2-CB 4.37Å; F204-P213 HydrophobicContact CG-CB 4.17Å; F204-P213 HydrophobicContact CG-CG 4.13Å; F204-P213 HydrophobicContact CZ-CB 4.24Å; F204-P213 HydrophobicContact CZ-CG 4.06Å |
| 205 | G | 93.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | trans | -62.2 | 178.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R131 | R131-G205 PolarHBondContact NH1-O 3.13Š| ||
| 206 | P | 92.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 44 Ų | 44 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -52.3 | 155 | 176.9 | -26.5 | 35.6 | 0 | 0 | 0 | 113 | R131 N185 E187 A208 S209 | R131-P206 PolarHBondContact NH1-O 3.1Å; N185-P206 WeakPolarHBondContact O-CB 2.99Å; N185-P206 WeakPolarHBondContact O-CG 3.4Å; E187-P206 HydrophobicContact CG-CG 4.19Å; P206-A208 PolarHBondContact O-N 2.75Å; P206-S209 VanDerWaalsContact O-CB 3.26Å; P206-S209 WeakPolarHBondContact O-CB 2.99Å; P206-S209 PolarHBondContact O-N 3.47Å; P206-S209 PolarHBondContact O-OG 2.61Å |
| 207 | Y | 89.4 | Confident | 92.2 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 136.4 | 176.9 | -178.4 | -111.3 | 0 | 0 | 0 | 111.4 | Y120 V133 S209 | Y120-Y207 HydrophobicContact CE1-CG 4.45Å; Y120-Y207 VanDerWaalsContact OH-CB 3.25Å; Y120-Y207 WeakPolarHBondContact OH-CB 3.37Å; V133-Y207 HydrophobicContact CB-CD2 4.22Å; V133-Y207 HydrophobicContact CB-CE2 3.81Å; V133-Y207 HydrophobicContact CG1-CD1 4.45Å; V133-Y207 HydrophobicContact CG1-CD2 4.27Å; V133-Y207 HydrophobicContact CG1-CE1 4.2Å; V133-Y207 HydrophobicContact CG1-CE2 3.99Å; V133-Y207 HydrophobicContact CG1-CG 4.48Å; V133-Y207 HydrophobicContact CG2-CD2 3.56Å; V133-Y207 HydrophobicContact CG2-CE2 3.6Å; V133-Y207 HydrophobicContact CG2-CG 4.31Å; Y207-S209 PolarHBondContact O-N 2.77Å |
| 208 | A | 86.8 | Confident | 92.6 | Very high | 73 Ų | 73 | 41 Ų | 41 | 60% | 0.603 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 8.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P206 | P206-A208 PolarHBondContact O-N 2.75Š|
| 209 | S | 90.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | trans | -67.5 | 148.2 | 164.7 | 86 | 0 | 0 | 0 | 0 | 110.3 | Q162 P206 Y207 | Q162-S209 PolarHBondContact NE2-O 2.84Å; P206-S209 VanDerWaalsContact O-CB 3.26Å; P206-S209 WeakPolarHBondContact O-CB 2.99Å; P206-S209 PolarHBondContact O-N 3.47Å; P206-S209 PolarHBondContact O-OG 2.61Å; Y207-S209 PolarHBondContact O-N 2.77Å | ||
| 210 | T | 88.1 | Confident | 91.6 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 73% | 0.73 | 26% | 0.261 | S | S | * | . | trans | -84.8 | -1.4 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 211 | D | 90.3 | Very high | 90.1 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 132.7 | -177.6 | -56.2 | -38.9 | 0 | 0 | 0 | 110 | ||
| 212 | S | 90.1 | Very high | 88 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 70% | 0.699 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 142.7 | 174.1 | -61.9 | 0 | 0 | 0 | 0 | 110 | ||
| 213 | P | 94.1 | Very high | 86 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 149.7 | 173.1 | -19.2 | 31.4 | 0 | 0 | 0 | 110.9 | F165 R203 F204 | F165-P213 HydrophobicContact CB-CB 3.91Å; F165-P213 HydrophobicContact CB-CG 4.06Å; F165-P213 HydrophobicContact CD2-CB 3.59Å; F165-P213 HydrophobicContact CD2-CG 3.96Å; F165-P213 HydrophobicContact CE2-CB 4.23Å; F165-P213 HydrophobicContact CG-CB 3.78Å; F165-P213 HydrophobicContact CG-CG 4.29Å; R203-P213 CarbonylContact O-C 3.54Å; R203-P213 WeakPolarHBondContact O-CA 3.16Å; F204-P213 HydrophobicContact CD1-CB 4.03Å; F204-P213 HydrophobicContact CD1-CG 3.49Å; F204-P213 VanDerWaalsContact CD1-CG 3.49Å; F204-P213 HydrophobicContact CD2-CB 4.34Å; F204-P213 HydrophobicContact CE1-CB 4.06Å; F204-P213 HydrophobicContact CE1-CG 3.45Å; F204-P213 VanDerWaalsContact CE1-CG 3.45Å; F204-P213 HydrophobicContact CE2-CB 4.37Å; F204-P213 HydrophobicContact CG-CB 4.17Å; F204-P213 HydrophobicContact CG-CG 4.13Å; F204-P213 HydrophobicContact CZ-CB 4.24Å; F204-P213 HydrophobicContact CZ-CG 4.06Å |
| 214 | T | 94.6 | Very high | 83.9 | Confident | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152.3 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | V202 R203 | V202-T214 CarbonylContact C-O 3.52Å; V202-T214 WeakPolarHBondContact CA-O 3.44Å; R203-T214 PolarHBondContact N-O 2.55Å; R203-T214 PolarHBondContact O-N 2.87Å |
| 215 | Q | 95.1 | Very high | 81.7 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.7 | 172.4 | 68.7 | 179.5 | 8 | 0 | 0 | 111.1 | F165 L200 L201 V202 | F165-Q215 HydrophobicContact CE1-CB 4.01Å; F165-Q215 HydrophobicContact CE1-CG 4.39Å; F165-Q215 HydrophobicContact CZ-CB 4.36Å; F165-Q215 HydrophobicContact CZ-CG 4.38Å; L200-Q215 HydrophobicContact CD1-CB 4.23Å; L201-Q215 CarbonylContact O-C 3.6Å; L201-Q215 VanDerWaalsContact O-CA 3.27Å; L201-Q215 WeakPolarHBondContact O-CA 3.44Å; V202-Q215 HydrophobicContact CG2-CB 4.4Å |
| 216 | E | 93.7 | Very high | 79.8 | Confident | 32 Ų | 32 | 74 Ų | 74 | 15% | 0.15 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.6 | 174.6 | 64 | -174.9 | 170.9 | 0 | 0 | 111 | L201 R203 R277 | L201-E216 HydrophobicContact CB-CG 3.84Å; L201-E216 HydrophobicContact CD2-CG 3.96Å; L201-E216 WeakPolarHBondContact CD2-OE1 3.43Å; L201-E216 HydrophobicContact CG-CG 4.46Å; L201-E216 PolarHBondContact N-O 3.42Å; L201-E216 PolarHBondContact O-N 2.77Å; R203-E216 IonicContact CZ-OE1 2.77Å; R203-E216 IonicContact NE-OE1 3.73Å; R203-E216 PolarHBondContact NE-OE1 2.85Å; R203-E216 IonicContact NH2-OE1 3.49Å; R203-E216 PolarHBondContact NH2-OE1 2.86Å; E216-R277 IonicContact OE2-CZ 3.62Å; E216-R277 IonicContact OE2-NE 3.67Å; E216-R277 PolarHBondContact OE2-NE 3.31Å; E216-R277 IonicContact OE2-NH2 3.7Å; E216-R277 PolarHBondContact OE2-NH2 3.47Å |
| 217 | I | 92.3 | Very high | 77.9 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 25% | 0.251 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.8 | 178.7 | -57 | 164.6 | 0 | 0 | 0 | 109.1 | P170 C198 I199 L200 W219 | P170-I217 HydrophobicContact CB-CD1 3.62Å; P170-I217 HydrophobicContact CG-CD1 3.98Å; P170-I217 HydrophobicContact CG-CG1 4.4Å; C198-I217 HydrophobicContact CB-CG2 3.94Å; I199-I217 WeakPolarHBondContact O-CA 3.2Å; L200-I217 HydrophobicContact CD1-CG1 4.28Å; I217-W219 HydrophobicContact CB-CZ2 4.38Å; I217-W219 HydrophobicContact CD1-CZ2 4.14Å; I217-W219 HydrophobicContact CG2-CD2 4.16Å; I217-W219 HydrophobicContact CG2-CG 4.4Å; I217-W219 HydrophobicContact CG2-CZ2 3.75Å |
| 218 | L | 92.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126 | 170.6 | -38.9 | 179.1 | 0 | 0 | 0 | 108.4 | C198 I199 L260 W272 R277 | C198-L218 WeakPolarHBondContact CA-O 3.38Å; I199-L218 HydrophobicContact CB-CB 4.12Å; I199-L218 HydrophobicContact CB-CD1 4.09Å; I199-L218 HydrophobicContact CB-CG 4.21Å; I199-L218 HydrophobicContact CG2-CD1 4.12Å; I199-L218 PolarHBondContact N-O 2.77Å; I199-L218 VanDerWaalsContact N-O 3.08Å; I199-L218 PolarHBondContact O-N 2.81Å; L218-L260 HydrophobicContact CD1-CD2 4.4Å; L218-W272 HydrophobicContact CB-CE3 3.91Å; L218-W272 HydrophobicContact CB-CZ3 4.08Å; L218-W272 HydrophobicContact CD1-CB 4.38Å; L218-R277 HydrophobicContact CD2-CB 4.19Å; L218-R277 HydrophobicContact CD2-CG 4.26Å |
| 219 | W | 84.8 | Confident | 74.1 | Confident | 60 Ų | 60 | 81 Ų | 81 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.1 | -177.4 | -64 | 84.7 | 0 | 0 | 0 | 110.2 | C198 I217 G221 R277 | C198-W219 WeakPolarHBondContact SG-CZ3 2.97Å; I217-W219 HydrophobicContact CB-CZ2 4.38Å; I217-W219 HydrophobicContact CD1-CZ2 4.14Å; I217-W219 HydrophobicContact CG2-CD2 4.16Å; I217-W219 HydrophobicContact CG2-CG 4.4Å; I217-W219 HydrophobicContact CG2-CZ2 3.75Å; W219-G221 PolarHBondContact O-N 3.49Å; W219-R277 PolarHBondContact N-O 2.78Å |
| 220 | Q | 75.4 | Confident | 72.2 | Confident | 47 Ų | 47 | 82.7 Ų | 82.7 | 22% | 0.22 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -68.4 | -18.4 | 177 | -170.1 | 168.1 | -39.8 | 0 | 0 | 113.3 | E244 R270 W272 | Q220-E244 PolarHBondContact NE2-OE1 2.94Å; Q220-E244 PolarHBondContact NE2-OE2 2.72Å; Q220-R270 VanDerWaalsContact NE2-CZ 3.35Å; Q220-W272 HydrophobicContact CB-CH2 3.82Å; Q220-W272 HydrophobicContact CB-CZ3 4.44Å; Q220-W272 HydrophobicContact CG-CH2 4.35Å |
| 221 | G | 63.6 | Low | 70.4 | Confident | 41 Ų | 41 | 83.5 Ų | 83.5 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -134 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W219 R223 | W219-G221 PolarHBondContact O-N 3.49Å; G221-R223 PolarHBondContact O-N 3.49Å |
| 222 | S | 53.8 | Low | 68.5 | Low | 79 Ų | 79 | 86.3 Ų | 86.3 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | trans | -57.4 | 134.6 | 172.2 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | L224 K225 | S222-L224 PolarHBondContact O-N 2.68Å; S222-L224 PolarHBondContact OG-N 2.77Å; S222-K225 PolarHBondContact O-N 3.04Å | ||
| 223 | R | 54.3 | Low | 66 | Low | 162 Ų | 162 | 86.4 Ų | 86.4 | 61% | 0.611 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -25.4 | 175.4 | -69.4 | -177.6 | 175 | -171.7 | -4.6 | 113.4 | G221 K225 Q226 L227 | G221-R223 PolarHBondContact O-N 3.49Å; R223-K225 VanDerWaalsContact C-N 3.28Å; R223-K225 PolarHBondContact O-N 3.36Å; R223-Q226 PolarHBondContact O-N 2.87Å; R223-L227 PolarHBondContact O-N 3.34Å |
| 224 | L | 50.4 | Low | 63.3 | Low | 102 Ų | 102 | 90.5 Ų | 90.5 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | 176.3 | -69 | 168 | 0 | 0 | 0 | 112.1 | S222 Q226 L227 W228 | S222-L224 PolarHBondContact O-N 2.68Å; S222-L224 PolarHBondContact OG-N 2.77Å; L224-Q226 PolarHBondContact O-N 3.18Å; L224-Q226 VanDerWaalsContact O-N 3.09Å; L224-L227 HydrophobicContact CD2-CD1 4.43Å; L224-L227 PolarHBondContact O-N 3.2Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L224-W228 PolarHBondContact O-N 2.91Å |
| 225 | K | 50.5 | Low | 60.5 | Low | 167 Ų | 167 | 99 Ų | 99 | 73% | 0.726 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.2 | -32.8 | 178.6 | -76.8 | -170 | 175.9 | -174.9 | 0 | 112.9 | S222 R223 S229 | S222-K225 PolarHBondContact O-N 3.04Å; R223-K225 VanDerWaalsContact C-N 3.28Å; R223-K225 PolarHBondContact O-N 3.36Å; K225-S229 WeakPolarHBondContact O-CB 3.05Å; K225-S229 PolarHBondContact O-N 3.47Å; K225-S229 PolarHBondContact O-OG 3.38Å |
| 226 | Q | 53.2 | Low | 57.9 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.5 | -37.1 | 178.8 | -163.6 | -177 | 10.6 | 0 | 0 | 113 | R223 L224 W228 S229 G230 | R223-Q226 PolarHBondContact O-N 2.87Å; L224-Q226 PolarHBondContact O-N 3.18Å; L224-Q226 VanDerWaalsContact O-N 3.09Å; Q226-W228 PolarHBondContact O-N 3.25Å; Q226-S229 WeakPolarHBondContact CA-OG 3.48Å; Q226-S229 PolarHBondContact O-N 3.44Å; Q226-S229 PolarHBondContact O-OG 3.34Å; Q226-S229 VanDerWaalsContact O-OG 3.06Å; Q226-G230 PolarHBondContact O-N 3.13Å |
| 227 | L | 52.3 | Low | 55.2 | Low | 116 Ų | 116 | 103.5 Ų | 103.5 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -31.5 | 172.7 | -73.7 | 172.3 | 0 | 0 | 0 | 111.6 | R223 L224 L231 | R223-L227 PolarHBondContact O-N 3.34Å; L224-L227 HydrophobicContact CD2-CD1 4.43Å; L224-L227 PolarHBondContact O-N 3.2Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L227-L231 WeakPolarHBondContact O-CG 3.42Å |
| 228 | W | 48 | Very low | 52.8 | Low | 165 Ų | 165 | 105 Ų | 105 | 63% | 0.625 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -83.5 | -34.7 | 177.3 | -71 | 68.5 | 0 | 0 | 0 | 112.3 | L224 Q226 G230 L231 F232 | L224-W228 PolarHBondContact O-N 2.91Å; Q226-W228 PolarHBondContact O-N 3.25Å; W228-G230 VanDerWaalsContact C-N 3.3Å; W228-G230 PolarHBondContact O-N 3.35Å; W228-L231 PolarHBondContact O-N 2.79Å; W228-F232 HydrophobicContact CE3-CE2 4.12Å; W228-F232 HydrophobicContact CZ3-CE2 4.47Å; W228-F232 WeakPolarHBondContact O-CD2 3.24Å; W228-F232 PolarHBondContact O-N 3.02Å |
| 229 | S | 49.8 | Very low | 50.9 | Low | 57 Ų | 57 | 114.6 Ų | 114.6 | 40% | 0.399 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | 170.7 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | K225 Q226 L231 F232 T233 | K225-S229 WeakPolarHBondContact O-CB 3.05Å; K225-S229 PolarHBondContact O-N 3.47Å; K225-S229 PolarHBondContact O-OG 3.38Å; Q226-S229 WeakPolarHBondContact CA-OG 3.48Å; Q226-S229 PolarHBondContact O-N 3.44Å; Q226-S229 PolarHBondContact O-OG 3.34Å; Q226-S229 VanDerWaalsContact O-OG 3.06Å; S229-L231 PolarHBondContact O-N 2.9Å; S229-F232 PolarHBondContact O-N 3.46Å; S229-T233 WeakPolarHBondContact O-CB 3Å; S229-T233 WeakPolarHBondContact O-CG2 3.33Å; S229-T233 PolarHBondContact O-N 2.98Å; S229-T233 VanDerWaalsContact O-N 3.09Å; S229-T233 PolarHBondContact O-OG1 3.28Å |
| 230 | G | 50.3 | Low | 49.7 | Very low | 56 Ų | 56 | 116.7 Ų | 116.7 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.3 | -16.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q226 W228 | Q226-G230 PolarHBondContact O-N 3.13Å; W228-G230 VanDerWaalsContact C-N 3.3Å; W228-G230 PolarHBondContact O-N 3.35Å |
| 231 | L | 50.3 | Low | 49.4 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 71% | 0.712 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -99.7 | -10 | 176.3 | -69.5 | 171.1 | 0 | 0 | 0 | 113.5 | L227 W228 S229 | L227-L231 WeakPolarHBondContact O-CG 3.42Å; W228-L231 PolarHBondContact O-N 2.79Å; S229-L231 PolarHBondContact O-N 2.9Å |
| 232 | F | 48.9 | Very low | 50.1 | Low | 161 Ų | 161 | 117.2 Ų | 117.2 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -130.6 | 11.1 | -175.6 | -69.7 | -71.4 | 0 | 0 | 0 | 115.2 | W228 S229 S234 | W228-F232 HydrophobicContact CE3-CE2 4.12Å; W228-F232 HydrophobicContact CZ3-CE2 4.47Å; W228-F232 WeakPolarHBondContact O-CD2 3.24Å; W228-F232 PolarHBondContact O-N 3.02Å; S229-F232 PolarHBondContact O-N 3.46Å; F232-S234 PolarHBondContact O-N 3.28Å |
| 233 | T | 39.2 | Very low | 51.5 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | trans | -85.1 | 82.2 | 176.7 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | S229 | S229-T233 WeakPolarHBondContact O-CB 3Å; S229-T233 WeakPolarHBondContact O-CG2 3.33Å; S229-T233 PolarHBondContact O-N 2.98Å; S229-T233 VanDerWaalsContact O-N 3.09Å; S229-T233 PolarHBondContact O-OG1 3.28Å | ||
| 234 | S | 37.4 | Very low | 53 | Low | 108 Ų | 108 | 114 Ų | 114 | 76% | 0.755 | 60% | 0.601 | S | S | * | * | trans | -49.9 | 134.6 | 153.9 | 172 | 0 | 0 | 0 | 0 | 110.1 | F232 A236 | F232-S234 PolarHBondContact O-N 3.28Å; S234-A236 PolarHBondContact O-N 3.25Å | ||
| 235 | W | 34.1 | Very low | 54.8 | Low | 259 Ų | 259 | 109.2 Ų | 109.2 | 98% | 0.981 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -53 | 83.8 | 175.6 | -61.6 | -48.2 | 0 | 0 | 0 | 114.4 | ||
| 236 | A | 40.8 | Very low | 56.7 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | trans | -128.7 | 114.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S234 S238 | S234-A236 PolarHBondContact O-N 3.25Å; A236-S238 PolarHBondContact O-N 3.02Å | ||
| 237 | P | 38.8 | Very low | 58.4 | Low | 133 Ų | 133 | 97 Ų | 97 | 86% | 0.864 | 52% | 0.523 | S | S | * | . | trans | -68.4 | 90.1 | 162.4 | 28.7 | -27.3 | 0 | 0 | 0 | 106 | ||||
| 238 | S | 41.5 | Very low | 60.4 | Low | 80 Ų | 80 | 92.4 Ų | 92.4 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | trans | -86.9 | 115.5 | 162.5 | 69.1 | 0 | 0 | 0 | 0 | 106.9 | A236 T240 | A236-S238 PolarHBondContact O-N 3.02Å; S238-T240 PolarHBondContact O-N 2.86Å; S238-T240 PolarHBondContact O-OG1 3.37Å; S238-T240 PolarHBondContact OG-OG1 3.34Å | ||
| 239 | E | 50.8 | Low | 62.6 | Low | 201 Ų | 201 | 85.2 Ų | 85.2 | 94% | 0.939 | 47% | 0.474 | S | S | * | . | trans | -63.6 | 39.7 | 167.5 | -61.9 | 175.9 | 159.6 | 0 | 0 | 111.5 | F241 | E239-F241 PolarHBondContact O-N 2.77Š| ||
| 240 | T | 60 | Low | 64.8 | Low | 104 Ų | 104 | 83.4 Ų | 83.4 | 64% | 0.638 | 46% | 0.461 | S | S | * | . | trans | -88 | 97.2 | -176.3 | 46 | 0 | 0 | 0 | 0 | 108.9 | S238 C242 | S238-T240 PolarHBondContact O-N 2.86Å; S238-T240 PolarHBondContact O-OG1 3.37Å; S238-T240 PolarHBondContact OG-OG1 3.34Å; T240-C242 PolarHBondContact O-N 3.38Å | ||
| 241 | F | 69.3 | Low | 66.8 | Low | 64 Ų | 64 | 81.6 Ų | 81.6 | 28% | 0.281 | 44% | 0.438 | S | S | . | . | trans | -50 | 130.6 | 169.6 | -176.9 | -100 | 0 | 0 | 0 | 112 | E239 F243 F265 | E239-F241 PolarHBondContact O-N 2.77Å; F241-F243 HydrophobicContact CD1-CD1 4.24Å; F241-F243 HydrophobicContact CD1-CE1 4.34Å; F241-F243 PolarHBondContact O-N 3.11Å; F241-F265 HydrophobicContact CE1-CB 4.05Å; F241-F265 HydrophobicContact CE1-CD1 4.33Å; F241-F265 AromaticContact CE1-CD2 3.56Å; F241-F265 HydrophobicContact CE1-CD2 3.56Å; F241-F265 HydrophobicContact CE1-CE2 4.04Å; F241-F265 AromaticContact CE1-CG 3.73Å; F241-F265 HydrophobicContact CE1-CG 3.73Å; F241-F265 AromaticContact CZ-CD2 3.44Å; F241-F265 HydrophobicContact CZ-CD2 3.44Å; F241-F265 VanDerWaalsContact CZ-CD2 3.44Å; F241-F265 HydrophobicContact CZ-CE1 4.48Å; F241-F265 AromaticContact CZ-CE2 3.44Å; F241-F265 HydrophobicContact CZ-CE2 3.44Å; F241-F265 VanDerWaalsContact CZ-CE2 3.44Å; F241-F265 HydrophobicContact CZ-CG 4.02Å; F241-F265 AromaticContact CZ-CZ 3.96Å; F241-F265 HydrophobicContact CZ-CZ 3.96Å | ||
| 242 | C | 78.2 | Confident | 68.8 | Low | 35 Ų | 35 | 75.4 Ų | 75.4 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | trans | -82.5 | 102.6 | 179.2 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | S197 T240 E244 S245 | S197-C242 PolarHBondContact OG-SG 2.71Å; T240-C242 PolarHBondContact O-N 3.38Å; C242-E244 PolarHBondContact O-N 2.91Å; C242-E244 VanDerWaalsContact O-N 3.09Å; C242-S245 VanDerWaalsContact O-CB 3.24Å; C242-S245 WeakPolarHBondContact O-CB 3.44Å; C242-S245 PolarHBondContact O-N 3.07Å; C242-S245 PolarHBondContact O-OG 2.87Å | ||
| 243 | F | 82.6 | Confident | 69.8 | Low | 100 Ų | 100 | 70.7 Ų | 70.7 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.6 | -179.6 | -68.1 | -73.9 | 0 | 0 | 0 | 114.7 | F241 S245 F265 D266 W302 | F241-F243 HydrophobicContact CD1-CD1 4.24Å; F241-F243 HydrophobicContact CD1-CE1 4.34Å; F241-F243 PolarHBondContact O-N 3.11Å; F243-S245 PolarHBondContact O-N 3.41Å; F243-F265 HydrophobicContact CD1-CB 4.33Å; F243-F265 CarbonylContact O-C 3.54Å; F243-F265 VanDerWaalsContact O-C 3.24Å; F243-F265 WeakPolarHBondContact O-CA 3.47Å; F243-F265 VanDerWaalsContact O-CB 3.25Å; F243-F265 WeakPolarHBondContact O-CB 3.09Å; F243-F265 PolarHBondContact O-N 3.27Å; F243-D266 HydrophobicContact CB-CB 4.26Å; F243-D266 PolarHBondContact O-N 2.88Å; F243-W302 HydrophobicContact CD1-CB 4.29Å; F243-W302 AromaticContact CD1-CD1 3.97Å; F243-W302 HydrophobicContact CD1-CG 4.2Å; F243-W302 HydrophobicContact CE1-CB 3.97Å; F243-W302 AromaticContact CE1-CD1 3.38Å; F243-W302 AromaticContact CE1-CG 3.88Å; F243-W302 HydrophobicContact CE1-CG 3.88Å |
| 244 | E | 86.1 | Confident | 70.8 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.6 | 177.2 | -62 | -173.6 | 155.5 | 0 | 0 | 113 | S197 Q220 C242 S264 | S197-E244 VanDerWaalsContact OG-CB 3.24Å; S197-E244 WeakPolarHBondContact OG-CB 3.21Å; S197-E244 PolarHBondContact OG-OE2 2.75Å; S197-E244 VanDerWaalsContact OG-OE2 3.13Å; Q220-E244 PolarHBondContact NE2-OE1 2.94Å; Q220-E244 PolarHBondContact NE2-OE2 2.72Å; C242-E244 PolarHBondContact O-N 2.91Å; C242-E244 VanDerWaalsContact O-N 3.09Å; E244-S264 WeakPolarHBondContact O-CB 3.05Å; E244-S264 PolarHBondContact O-OG 3.48Å |
| 245 | S | 87.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -62.4 | 144.3 | 179.3 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | Y176 D196 S197 C242 F243 S264 F265 | Y176-S245 WeakPolarHBondContact OH-CB 3.41Å; D196-S245 PolarHBondContact N-OG 3.43Å; S197-S245 PolarHBondContact N-OG 3.23Å; C242-S245 VanDerWaalsContact O-CB 3.24Å; C242-S245 WeakPolarHBondContact O-CB 3.44Å; C242-S245 PolarHBondContact O-N 3.07Å; C242-S245 PolarHBondContact O-OG 2.87Å; F243-S245 PolarHBondContact O-N 3.41Å; S245-S264 CarbonylContact O-C 3.58Å; S245-S264 WeakPolarHBondContact O-CA 3.23Å; S245-S264 WeakPolarHBondContact O-CB 3.12Å; S245-F265 VanDerWaalsContact O-CD2 3.22Å; S245-F265 WeakPolarHBondContact O-CD2 3.32Å; S245-F265 PolarHBondContact O-N 2.64Å; S245-F265 VanDerWaalsContact O-N 3.07Å |
| 246 | A | 91.8 | Very high | 73.7 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y176 A193 I199 L249 T262 L263 | Y176-A246 WeakPolarHBondContact CE2-O 3.36Å; Y176-A246 PolarHBondContact OH-O 2.7Å; Y176-A246 VanDerWaalsContact OH-O 3.04Å; A193-A246 HydrophobicContact CB-CB 4.23Å; A193-A246 WeakPolarHBondContact CB-O 3.43Å; I199-A246 HydrophobicContact CD1-CB 3.75Å; A246-L249 HydrophobicContact CB-CD2 4.44Å; A246-L249 HydrophobicContact CB-CG 4.36Å; A246-T262 HydrophobicContact CB-CG2 3.99Å; A246-L263 CarbonylContact C-O 3.53Å |
| 247 | T | 89.4 | Confident | 75.6 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -32.3 | 176.8 | -168 | 0 | 0 | 0 | 0 | 113.5 | L263 F265 G305 W308 | T247-L263 HydrophobicContact CG2-CG 4.32Å; T247-L263 WeakPolarHBondContact CG2-O 3.16Å; T247-L263 PolarHBondContact N-O 3.49Å; T247-F265 WeakPolarHBondContact OG1-CZ 3.21Å; T247-G305 WeakPolarHBondContact OG1-CA 3.47Å; T247-G305 PolarHBondContact OG1-O 3.43Å; T247-W308 HydrophobicContact CG2-CB 3.64Å; T247-W308 HydrophobicContact CG2-CD2 4.26Å; T247-W308 HydrophobicContact CG2-CE3 3.69Å; T247-W308 HydrophobicContact CG2-CG 4.33Å |
| 248 | S | 92.6 | Very high | 78 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.6 | 179.3 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | T262 L263 I310 | S248-T262 CarbonylContact O-C 3.55Å; S248-T262 VanDerWaalsContact O-CA 3.27Å; S248-T262 WeakPolarHBondContact O-CA 3.4Å; S248-L263 PolarHBondContact N-O 3.2Å; S248-L263 PolarHBondContact O-N 3.35Å; S248-I310 WeakPolarHBondContact OG-CG2 3.5Å; S248-I310 PolarHBondContact OG-N 2.61Å |
| 249 | L | 95.1 | Very high | 80.5 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.4 | -172.8 | -53.7 | 90.6 | 0 | 0 | 0 | 110.6 | A177 A179 A191 A193 I199 A246 L260 C261 T262 | A177-L249 HydrophobicContact CB-CD1 3.73Å; A179-L249 HydrophobicContact CB-CB 3.76Å; A191-L249 HydrophobicContact CB-CD2 4.39Å; A193-L249 HydrophobicContact CB-CD1 3.6Å; A193-L249 HydrophobicContact CB-CD2 4.16Å; A193-L249 HydrophobicContact CB-CG 4.46Å; I199-L249 HydrophobicContact CD1-CD2 3.72Å; A246-L249 HydrophobicContact CB-CD2 4.44Å; A246-L249 HydrophobicContact CB-CG 4.36Å; L249-L260 HydrophobicContact CB-CD1 4.26Å; L249-L260 HydrophobicContact CD2-CD2 4.34Å; L249-C261 CarbonylContact C-O 3.57Å; L249-C261 WeakPolarHBondContact CA-O 2.99Å; L249-T262 HydrophobicContact CB-CG2 4.47Å; L249-T262 HydrophobicContact CD2-CG2 3.9Å; L249-T262 HydrophobicContact CG-CG2 3.97Å |
| 250 | C | 94.9 | Very high | 82.6 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 144.7 | 167.5 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | C261 C312 | C250-C261 PolarHBondContact N-O 2.97Å; C250-C261 WeakPolarHBondContact O-CB 3.23Å; C250-C261 PolarHBondContact O-N 2.7Å; C250-C312 VanDerWaalsContact SG-SG 3.67Å |
| 251 | F | 94.1 | Very high | 84.3 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.7 | 173.9 | -78.9 | -77.7 | 0 | 0 | 0 | 111.7 | A179 C180 A181 V189 A191 L201 L258 L260 C312 | A179-F251 HydrophobicContact CB-CD2 3.96Å; A179-F251 HydrophobicContact CB-CE2 4.12Å; A179-F251 WeakPolarHBondContact O-CE2 3.2Å; C180-F251 WeakPolarHBondContact O-CD2 3.42Å; A181-F251 HydrophobicContact CB-CB 3.92Å; A181-F251 HydrophobicContact CB-CD1 4.18Å; A181-F251 HydrophobicContact CB-CD2 3.43Å; A181-F251 VanDerWaalsContact CB-CD2 3.43Å; A181-F251 HydrophobicContact CB-CE2 3.86Å; A181-F251 HydrophobicContact CB-CG 3.58Å; A181-F251 HydrophobicContact CB-CZ 4.41Å; V189-F251 HydrophobicContact CG1-CZ 4.03Å; A191-F251 HydrophobicContact CB-CE2 3.96Å; A191-F251 HydrophobicContact CB-CZ 3.68Å; L201-F251 HydrophobicContact CD1-CZ 4.05Å; F251-L258 HydrophobicContact CD1-CD1 3.52Å; F251-L258 HydrophobicContact CD1-CD2 4.5Å; F251-L258 HydrophobicContact CD1-CG 3.87Å; F251-L258 HydrophobicContact CE1-CD1 3.61Å; F251-L258 HydrophobicContact CE1-CD2 3.79Å; F251-L258 HydrophobicContact CE1-CG 3.62Å; F251-L258 HydrophobicContact CG-CD1 4.3Å; F251-L258 HydrophobicContact CZ-CD1 4.44Å; F251-L258 HydrophobicContact CZ-CD2 4.39Å; F251-L260 HydrophobicContact CD1-CB 4.13Å; F251-L260 HydrophobicContact CD1-CD1 4.11Å; F251-L260 HydrophobicContact CD2-CD1 4.37Å; F251-L260 HydrophobicContact CE1-CB 3.99Å; F251-L260 HydrophobicContact CE1-CD1 4.03Å; F251-L260 HydrophobicContact CE2-CD1 4.34Å; F251-L260 HydrophobicContact CG-CD1 4.29Å; F251-L260 HydrophobicContact CZ-CD1 4.17Å; F251-C312 PolarHBondContact O-SG 3.45Å |
| 252 | V | 90.6 | Very high | 85.5 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.5 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | T259 C261 L271 V319 F321 W345 | V252-T259 HydrophobicContact CB-CG2 4.39Å; V252-T259 HydrophobicContact CG2-CG2 4.46Å; V252-T259 PolarHBondContact N-O 2.99Å; V252-C261 HydrophobicContact CG2-CB 3.87Å; V252-L271 HydrophobicContact CG2-CD2 4.28Å; V252-V319 HydrophobicContact CG1-CB 4.29Å; V252-V319 HydrophobicContact CG1-CG1 3.95Å; V252-V319 HydrophobicContact CG1-CG2 3.59Å; V252-F321 HydrophobicContact CG2-CE1 3.6Å; V252-F321 HydrophobicContact CG2-CZ 4.04Å; V252-W345 HydrophobicContact CG1-CH2 4.02Å; V252-W345 HydrophobicContact CG1-CZ2 4.43Å |
| 253 | N | 71.6 | Confident | 86.3 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | trans | 21.6 | 82.6 | 177.7 | -167.9 | 2.9 | 0 | 0 | 0 | 114.3 | R255 | N253-R255 PolarHBondContact O-N 2.72Š| ||
| 254 | P | 60.5 | Low | 86.7 | Confident | 26 Ų | 26 | 28 Ų | 28 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 4.9 | -169.6 | 27 | -36 | 0 | 0 | 0 | 115.5 | A181 L258 | A181-P254 HydrophobicContact CB-CB 3.84Å; A181-P254 HydrophobicContact CB-CG 4.2Å; P254-L258 HydrophobicContact CB-CD1 4.09Å |
| 255 | R | 63.5 | Low | 86.7 | Confident | 154 Ų | 154 | 25 Ų | 25 | 58% | 0.581 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -15.5 | -171.5 | -66.2 | -176.3 | 173.7 | 163.7 | 5.3 | 115.3 | D59 N253 | D59-R255 IonicContact OD2-CZ 2.85Å; D59-R255 IonicContact OD2-NH1 3.63Å; D59-R255 IonicContact OD2-NH2 3.86Å; D59-R255 PolarHBondContact OD2-NH2 3.29Å; N253-R255 PolarHBondContact O-N 2.72Å |
| 256 | S | 68.8 | Low | 86.5 | Confident | 112 Ų | 112 | 26 Ų | 26 | 78% | 0.783 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -61.5 | -179 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 257 | E | 80.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 25.8 Ų | 25.8 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -140.2 | 125.8 | 179.8 | -175.8 | -176.3 | 141.7 | 0 | 0 | 108.7 | T259 C273 K340 | E257-T259 PolarHBondContact O-N 2.78Å; E257-T259 PolarHBondContact O-OG1 2.87Å; E257-C273 PolarHBondContact OE1-SG 3.16Å; E257-K340 IonicContact OE1-NZ 2.66Å; E257-K340 PolarHBondContact OE1-NZ 3Å; E257-K340 IonicContact OE2-NZ 2.84Å; E257-K340 PolarHBondContact OE2-NZ 3.04Å |
| 258 | L | 88.9 | Confident | 86.4 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | trans | -68.4 | 98.7 | -176.1 | -166.5 | 75.4 | 0 | 0 | 0 | 110.8 | A181 V189 R203 F251 P254 C274 | A181-L258 HydrophobicContact CB-CD1 3.99Å; V189-L258 HydrophobicContact CB-CD2 4.11Å; V189-L258 HydrophobicContact CG1-CD2 3.58Å; V189-L258 HydrophobicContact CG2-CD2 4.1Å; R203-L258 VanDerWaalsContact NH1-CD2 3.3Å; F251-L258 HydrophobicContact CD1-CD1 3.52Å; F251-L258 HydrophobicContact CD1-CD2 4.5Å; F251-L258 HydrophobicContact CD1-CG 3.87Å; F251-L258 HydrophobicContact CE1-CD1 3.61Å; F251-L258 HydrophobicContact CE1-CD2 3.79Å; F251-L258 HydrophobicContact CE1-CG 3.62Å; F251-L258 HydrophobicContact CG-CD1 4.3Å; F251-L258 HydrophobicContact CZ-CD1 4.44Å; F251-L258 HydrophobicContact CZ-CD2 4.39Å; P254-L258 HydrophobicContact CB-CD1 4.09Å; L258-C274 HydrophobicContact CB-CB 4.31Å; L258-C274 HydrophobicContact CD2-CB 3.9Å; L258-C274 HydrophobicContact CG-CB 4.26Å; L258-C274 WeakPolarHBondContact O-CB 3.34Å; L258-C274 PolarHBondContact O-N 2.95Å; L258-C274 PolarHBondContact O-SG 2.56Å | ||
| 259 | T | 92.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.6 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 108.3 | V252 E257 L271 W272 W345 | V252-T259 HydrophobicContact CB-CG2 4.39Å; V252-T259 HydrophobicContact CG2-CG2 4.46Å; V252-T259 PolarHBondContact N-O 2.99Å; E257-T259 PolarHBondContact O-N 2.78Å; E257-T259 PolarHBondContact O-OG1 2.87Å; T259-L271 HydrophobicContact CG2-CB 4.35Å; T259-W272 CarbonylContact C-O 3.4Å; T259-W272 VanDerWaalsContact CA-O 3.31Å; T259-W272 WeakPolarHBondContact CA-O 3.26Å; T259-W345 HydrophobicContact CG2-CZ2 4.18Å |
| 260 | L | 95.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 135.5 | 177.4 | 172.7 | 74.7 | 0 | 0 | 0 | 108.9 | A179 A191 I199 L218 L249 F251 T262 L271 W272 | A179-L260 HydrophobicContact CB-CD1 4.31Å; A191-L260 HydrophobicContact CB-CD1 3.74Å; A191-L260 HydrophobicContact CB-CD2 3.69Å; A191-L260 HydrophobicContact CB-CG 4.34Å; I199-L260 HydrophobicContact CG1-CD2 4.24Å; I199-L260 HydrophobicContact CG2-CD2 3.79Å; L218-L260 HydrophobicContact CD1-CD2 4.4Å; L249-L260 HydrophobicContact CB-CD1 4.26Å; L249-L260 HydrophobicContact CD2-CD2 4.34Å; F251-L260 HydrophobicContact CD1-CB 4.13Å; F251-L260 HydrophobicContact CD1-CD1 4.11Å; F251-L260 HydrophobicContact CD2-CD1 4.37Å; F251-L260 HydrophobicContact CE1-CB 3.99Å; F251-L260 HydrophobicContact CE1-CD1 4.03Å; F251-L260 HydrophobicContact CE2-CD1 4.34Å; F251-L260 HydrophobicContact CG-CD1 4.29Å; F251-L260 HydrophobicContact CZ-CD1 4.17Å; L260-T262 HydrophobicContact CD2-CG2 3.94Å; L260-T262 HydrophobicContact CG-CG2 4Å; L260-L271 CarbonylContact O-C 3.52Å; L260-L271 WeakPolarHBondContact O-CA 3.25Å; L260-W272 HydrophobicContact CB-CB 4.14Å; L260-W272 HydrophobicContact CD2-CG 4.45Å; L260-W272 PolarHBondContact N-O 2.76Å; L260-W272 PolarHBondContact O-N 2.78Å |
| 261 | C | 95.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.2 | 170.9 | -176 | 0 | 0 | 0 | 0 | 108.9 | L249 C250 V252 R270 L271 F321 | L249-C261 CarbonylContact C-O 3.57Å; L249-C261 WeakPolarHBondContact CA-O 2.99Å; C250-C261 PolarHBondContact N-O 2.97Å; C250-C261 WeakPolarHBondContact O-CB 3.23Å; C250-C261 PolarHBondContact O-N 2.7Å; V252-C261 HydrophobicContact CG2-CB 3.87Å; C261-R270 CarbonylContact C-O 3.56Å; C261-R270 WeakPolarHBondContact CA-O 3.46Å; C261-L271 HydrophobicContact CB-CD2 3.68Å; C261-F321 HydrophobicContact CB-CD1 4.42Å; C261-F321 HydrophobicContact CB-CE1 4.01Å |
| 262 | T | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.6 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | I199 A246 S248 L249 L260 L269 R270 W272 | I199-T262 HydrophobicContact CD1-CG2 4.19Å; A246-T262 HydrophobicContact CB-CG2 3.99Å; S248-T262 CarbonylContact O-C 3.55Å; S248-T262 VanDerWaalsContact O-CA 3.27Å; S248-T262 WeakPolarHBondContact O-CA 3.4Å; L249-T262 HydrophobicContact CB-CG2 4.47Å; L249-T262 HydrophobicContact CD2-CG2 3.9Å; L249-T262 HydrophobicContact CG-CG2 3.97Å; L260-T262 HydrophobicContact CD2-CG2 3.94Å; L260-T262 HydrophobicContact CG-CG2 4Å; T262-L269 CarbonylContact O-C 3.53Å; T262-L269 VanDerWaalsContact O-CA 3.24Å; T262-L269 WeakPolarHBondContact O-CA 3.46Å; T262-R270 PolarHBondContact N-O 2.68Å; T262-R270 PolarHBondContact O-N 2.81Å; T262-W272 PolarHBondContact OG1-NE1 2.97Å |
| 263 | L | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.9 | 161.8 | 179.9 | 64.5 | 0 | 0 | 0 | 106.7 | A246 T247 S248 F285 W308 I310 I325 | A246-L263 CarbonylContact C-O 3.53Å; T247-L263 HydrophobicContact CG2-CG 4.32Å; T247-L263 WeakPolarHBondContact CG2-O 3.16Å; T247-L263 PolarHBondContact N-O 3.49Å; S248-L263 PolarHBondContact N-O 3.2Å; S248-L263 PolarHBondContact O-N 3.35Å; L263-F285 HydrophobicContact CD1-CD2 4.06Å; L263-F285 HydrophobicContact CD1-CE2 3.71Å; L263-W308 HydrophobicContact CD2-CB 3.91Å; L263-W308 HydrophobicContact CD2-CE3 4.31Å; L263-W308 HydrophobicContact CG-CE3 4.27Å; L263-I310 HydrophobicContact CB-CB 4.19Å; L263-I310 HydrophobicContact CB-CG2 4.25Å; L263-I325 HydrophobicContact CD1-CD1 4.28Å; L263-I325 HydrophobicContact CD2-CG1 4.19Å |
| 264 | S | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160.3 | -178.8 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | E244 S245 D266 C267 R268 R270 W308 | E244-S264 WeakPolarHBondContact O-CB 3.05Å; E244-S264 PolarHBondContact O-OG 3.48Å; S245-S264 CarbonylContact O-C 3.58Å; S245-S264 WeakPolarHBondContact O-CA 3.23Å; S245-S264 WeakPolarHBondContact O-CB 3.12Å; S264-D266 VanDerWaalsContact CB-OD1 3.24Å; S264-D266 WeakPolarHBondContact CB-OD1 3.22Å; S264-D266 PolarHBondContact O-N 3.29Å; S264-D266 VanDerWaalsContact O-N 3.09Å; S264-C267 PolarHBondContact O-N 2.95Å; S264-R268 PolarHBondContact N-O 3.12Å; S264-R270 PolarHBondContact OG-NH1 2.79Å; S264-W308 VanDerWaalsContact O-CZ3 3.25Å; S264-W308 WeakPolarHBondContact O-CZ3 3.36Å |
| 265 | F | 85.4 | Confident | 88.6 | Confident | 13 Ų | 13 | 27 Ų | 27 | 6% | 0.057 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.5 | -178.1 | -66.5 | -78.9 | 0 | 0 | 0 | 115 | Y176 F241 F243 S245 T247 C267 W302 W308 | Y176-F265 HydrophobicContact CE2-CE2 4.38Å; F241-F265 HydrophobicContact CE1-CB 4.05Å; F241-F265 HydrophobicContact CE1-CD1 4.33Å; F241-F265 AromaticContact CE1-CD2 3.56Å; F241-F265 HydrophobicContact CE1-CD2 3.56Å; F241-F265 HydrophobicContact CE1-CE2 4.04Å; F241-F265 AromaticContact CE1-CG 3.73Å; F241-F265 HydrophobicContact CE1-CG 3.73Å; F241-F265 AromaticContact CZ-CD2 3.44Å; F241-F265 HydrophobicContact CZ-CD2 3.44Å; F241-F265 VanDerWaalsContact CZ-CD2 3.44Å; F241-F265 HydrophobicContact CZ-CE1 4.48Å; F241-F265 AromaticContact CZ-CE2 3.44Å; F241-F265 HydrophobicContact CZ-CE2 3.44Å; F241-F265 VanDerWaalsContact CZ-CE2 3.44Å; F241-F265 HydrophobicContact CZ-CG 4.02Å; F241-F265 AromaticContact CZ-CZ 3.96Å; F241-F265 HydrophobicContact CZ-CZ 3.96Å; F243-F265 HydrophobicContact CD1-CB 4.33Å; F243-F265 CarbonylContact O-C 3.54Å; F243-F265 VanDerWaalsContact O-C 3.24Å; F243-F265 WeakPolarHBondContact O-CA 3.47Å; F243-F265 VanDerWaalsContact O-CB 3.25Å; F243-F265 WeakPolarHBondContact O-CB 3.09Å; F243-F265 PolarHBondContact O-N 3.27Å; S245-F265 VanDerWaalsContact O-CD2 3.22Å; S245-F265 WeakPolarHBondContact O-CD2 3.32Å; S245-F265 PolarHBondContact O-N 2.64Å; S245-F265 VanDerWaalsContact O-N 3.07Å; T247-F265 WeakPolarHBondContact OG1-CZ 3.21Å; F265-C267 PolarHBondContact O-N 3.45Å; F265-W302 WeakPolarHBondContact CD1-O 3.46Å; F265-W302 WeakPolarHBondContact CE1-O 3.11Å; F265-W308 VanDerWaalsContact CA-CZ3 3.46Å; F265-W308 WeakPolarHBondContact O-CH2 3.41Å |
| 266 | D | 85.1 | Confident | 89.7 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 11% | 0.107 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 16.7 | 173.7 | 75.4 | -30.5 | 0 | 0 | 0 | 113.8 | F243 S264 R268 R270 N286 | F243-D266 HydrophobicContact CB-CB 4.26Å; F243-D266 PolarHBondContact O-N 2.88Å; S264-D266 VanDerWaalsContact CB-OD1 3.24Å; S264-D266 WeakPolarHBondContact CB-OD1 3.22Å; S264-D266 PolarHBondContact O-N 3.29Å; S264-D266 VanDerWaalsContact O-N 3.09Å; D266-R268 VanDerWaalsContact C-N 3.3Å; D266-R268 PolarHBondContact O-N 3.27Å; D266-R268 WeakPolarHBondContact OD2-CD 3.3Å; D266-R268 IonicContact OD2-CZ 3.69Å; D266-R268 IonicContact OD2-NE 3.56Å; D266-R268 IonicContact OD2-NH1 3Å; D266-R268 PolarHBondContact OD2-NH1 3.23Å; D266-R270 VanDerWaalsContact CG-NH2 3.32Å; D266-R270 IonicContact OD1-CZ 3.56Å; D266-R270 IonicContact OD1-NH1 3.44Å; D266-R270 PolarHBondContact OD1-NH1 3.14Å; D266-R270 IonicContact OD1-NH2 2.7Å; D266-R270 PolarHBondContact OD1-NH2 3.41Å; D266-R270 IonicContact OD2-CZ 3.65Å; D266-R270 IonicContact OD2-NH1 2.78Å; D266-R270 IonicContact OD2-NH2 3.94Å; D266-R270 PolarHBondContact OD2-NH2 3.47Å; D266-N286 PolarHBondContact O-ND2 2.8Å; D266-N286 VanDerWaalsContact O-ND2 3.14Å |
| 267 | C | 87.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 39.9 | -178 | -77.4 | 0 | 0 | 0 | 0 | 113.3 | S264 F265 F285 L289 W302 W308 | S264-C267 PolarHBondContact O-N 2.95Å; F265-C267 PolarHBondContact O-N 3.45Å; C267-F285 HydrophobicContact CB-CB 4.21Å; C267-F285 WeakPolarHBondContact O-CB 2.8Å; C267-F285 VanDerWaalsContact O-CD2 3.26Å; C267-F285 WeakPolarHBondContact O-CD2 3.2Å; C267-F285 PolarHBondContact O-N 3.32Å; C267-L289 HydrophobicContact CB-CD1 4.03Å; C267-L289 VanDerWaalsContact SG-CD1 3.52Å; C267-W302 WeakPolarHBondContact SG-CH2 3.48Å; C267-W302 WeakPolarHBondContact SG-CZ3 3.49Å; C267-W308 WeakPolarHBondContact SG-CH2 3.34Å |
| 268 | R | 91.7 | Very high | 91 | Very high | 73 Ų | 73 | 25 Ų | 25 | 28% | 0.275 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.8 | 173.4 | -59.6 | -171.4 | 175.4 | 132.4 | -8.2 | 112 | S264 D266 F283 D284 | S264-R268 PolarHBondContact N-O 3.12Å; D266-R268 VanDerWaalsContact C-N 3.3Å; D266-R268 PolarHBondContact O-N 3.27Å; D266-R268 WeakPolarHBondContact OD2-CD 3.3Å; D266-R268 IonicContact OD2-CZ 3.69Å; D266-R268 IonicContact OD2-NE 3.56Å; D266-R268 IonicContact OD2-NH1 3Å; D266-R268 PolarHBondContact OD2-NH1 3.23Å; R268-F283 CarbonylContact C-O 3.52Å; R268-F283 VanDerWaalsContact CA-O 3.28Å; R268-F283 WeakPolarHBondContact CA-O 3.37Å; R268-D284 HydrophobicContact CG-CB 4.33Å; R268-D284 IonicContact CZ-OD2 3.61Å; R268-D284 IonicContact NE-OD2 3.02Å; R268-D284 PolarHBondContact NE-OD2 3.21Å; R268-D284 IonicContact NH2-OD2 3.25Å; R268-D284 PolarHBondContact NH2-OD2 3.27Å; R268-D284 VanDerWaalsContact NH2-OD2 3.08Å |
| 269 | L | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131 | 162.2 | -178.2 | 159.7 | 0 | 0 | 0 | 107.9 | T262 L271 H282 F283 F285 I310 F321 L336 I347 | T262-L269 CarbonylContact O-C 3.53Å; T262-L269 VanDerWaalsContact O-CA 3.24Å; T262-L269 WeakPolarHBondContact O-CA 3.46Å; L269-L271 HydrophobicContact CD2-CD2 4.15Å; L269-L271 HydrophobicContact CD2-CG 4.18Å; L269-H282 CarbonylContact O-C 3.5Å; L269-H282 WeakPolarHBondContact O-CA 3.43Å; L269-H282 WeakPolarHBondContact O-CB 3.46Å; L269-F283 HydrophobicContact CB-CB 4.32Å; L269-F283 PolarHBondContact N-O 2.91Å; L269-F283 PolarHBondContact O-N 3.42Å; L269-F285 HydrophobicContact CB-CE2 3.76Å; L269-F285 HydrophobicContact CB-CZ 4.17Å; L269-I310 HydrophobicContact CD1-CD1 3.71Å; L269-F321 HydrophobicContact CD1-CB 4.04Å; L269-F321 HydrophobicContact CD1-CD1 4.49Å; L269-F321 HydrophobicContact CD1-CG 4.19Å; L269-L336 HydrophobicContact CD1-CD1 4.3Å; L269-I347 HydrophobicContact CD2-CD1 3.51Å |
| 270 | R | 94.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.2 | 174.6 | -63.6 | 173.8 | 174.7 | 71.5 | 5.1 | 110.4 | Q220 C261 T262 S264 D266 V281 H282 | Q220-R270 VanDerWaalsContact NE2-CZ 3.35Å; C261-R270 CarbonylContact C-O 3.56Å; C261-R270 WeakPolarHBondContact CA-O 3.46Å; T262-R270 PolarHBondContact N-O 2.68Å; T262-R270 PolarHBondContact O-N 2.81Å; S264-R270 PolarHBondContact OG-NH1 2.79Å; D266-R270 VanDerWaalsContact CG-NH2 3.32Å; D266-R270 IonicContact OD1-CZ 3.56Å; D266-R270 IonicContact OD1-NH1 3.44Å; D266-R270 PolarHBondContact OD1-NH1 3.14Å; D266-R270 IonicContact OD1-NH2 2.7Å; D266-R270 PolarHBondContact OD1-NH2 3.41Å; D266-R270 IonicContact OD2-CZ 3.65Å; D266-R270 IonicContact OD2-NH1 2.78Å; D266-R270 IonicContact OD2-NH2 3.94Å; D266-R270 PolarHBondContact OD2-NH2 3.47Å; R270-V281 WeakPolarHBondContact CA-O 3.46Å; R270-H282 HydrophobicContact CG-CB 4.13Å |
| 271 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129 | 166.6 | -64 | -176.5 | 0 | 0 | 0 | 109.3 | V252 T259 L260 C261 L269 A279 V280 V281 F321 W345 I347 | V252-L271 HydrophobicContact CG2-CD2 4.28Å; T259-L271 HydrophobicContact CG2-CB 4.35Å; L260-L271 CarbonylContact O-C 3.52Å; L260-L271 WeakPolarHBondContact O-CA 3.25Å; C261-L271 HydrophobicContact CB-CD2 3.68Å; L269-L271 HydrophobicContact CD2-CD2 4.15Å; L269-L271 HydrophobicContact CD2-CG 4.18Å; L271-A279 CarbonylContact O-C 3.56Å; L271-A279 WeakPolarHBondContact O-CA 3.37Å; L271-V280 HydrophobicContact CB-CG2 4.18Å; L271-V280 WeakPolarHBondContact O-CG2 3.4Å; L271-V280 PolarHBondContact O-N 3.09Å; L271-V281 PolarHBondContact N-O 2.82Å; L271-F321 HydrophobicContact CD1-CE2 4.41Å; L271-F321 HydrophobicContact CD1-CZ 4.09Å; L271-F321 HydrophobicContact CD2-CE1 3.88Å; L271-F321 HydrophobicContact CD2-CE2 4.47Å; L271-F321 HydrophobicContact CD2-CZ 3.65Å; L271-F321 HydrophobicContact CG-CZ 4.45Å; L271-W345 HydrophobicContact CD1-CB 4.06Å; L271-W345 HydrophobicContact CD1-CD2 3.79Å; L271-W345 HydrophobicContact CD1-CE3 3.93Å; L271-W345 HydrophobicContact CD1-CG 3.88Å; L271-I347 HydrophobicContact CD1-CD1 3.58Å; L271-I347 HydrophobicContact CD1-CG1 4.06Å; L271-I347 HydrophobicContact CG-CD1 3.75Å |
| 272 | W | 93.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.2 | -179.8 | -53.8 | 77.1 | 0 | 0 | 0 | 109.2 | I199 L218 Q220 T259 L260 T262 S278 A279 | I199-W272 HydrophobicContact CG1-CH2 4.47Å; I199-W272 HydrophobicContact CG1-CZ2 4.25Å; L218-W272 HydrophobicContact CB-CE3 3.91Å; L218-W272 HydrophobicContact CB-CZ3 4.08Å; L218-W272 HydrophobicContact CD1-CB 4.38Å; Q220-W272 HydrophobicContact CB-CH2 3.82Å; Q220-W272 HydrophobicContact CB-CZ3 4.44Å; Q220-W272 HydrophobicContact CG-CH2 4.35Å; T259-W272 CarbonylContact C-O 3.4Å; T259-W272 VanDerWaalsContact CA-O 3.31Å; T259-W272 WeakPolarHBondContact CA-O 3.26Å; L260-W272 HydrophobicContact CB-CB 4.14Å; L260-W272 HydrophobicContact CD2-CG 4.45Å; L260-W272 PolarHBondContact N-O 2.76Å; L260-W272 PolarHBondContact O-N 2.78Å; T262-W272 PolarHBondContact OG1-NE1 2.97Å; W272-S278 WeakPolarHBondContact CA-O 3.43Å; W272-A279 HydrophobicContact CD2-CB 4Å; W272-A279 HydrophobicContact CE3-CB 3.93Å; W272-A279 HydrophobicContact CH2-CB 4.37Å; W272-A279 HydrophobicContact CZ2-CB 4.41Å; W272-A279 HydrophobicContact CZ3-CB 4.13Å |
| 273 | C | 90.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.1 | 167.9 | 178 | 0 | 0 | 0 | 0 | 107.4 | E257 N275 Q276 R277 S278 V280 | E257-C273 PolarHBondContact OE1-SG 3.16Å; C273-N275 PolarHBondContact O-N 3.29Å; C273-Q276 HydrophobicContact CB-CB 3.93Å; C273-Q276 HydrophobicContact CB-CG 4.07Å; C273-Q276 CarbonylContact O-C 3.53Å; C273-Q276 PolarHBondContact O-N 3.36Å; C273-Q276 VanDerWaalsContact SG-CG 3.59Å; C273-R277 PolarHBondContact O-N 3.24Å; C273-S278 PolarHBondContact N-O 3.04Å; C273-V280 HydrophobicContact CB-CG1 3.61Å |
| 274 | C | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.2 | -32.6 | -175.2 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L201 R203 L258 R277 | L201-C274 HydrophobicContact CD2-CB 4.03Å; R203-C274 VanDerWaalsContact NH2-CB 3.34Å; L258-C274 HydrophobicContact CB-CB 4.31Å; L258-C274 HydrophobicContact CD2-CB 3.9Å; L258-C274 HydrophobicContact CG-CB 4.26Å; L258-C274 WeakPolarHBondContact O-CB 3.34Å; L258-C274 PolarHBondContact O-N 2.95Å; L258-C274 PolarHBondContact O-SG 2.56Å; C274-R277 WeakPolarHBondContact O-CG 3.46Å; C274-R277 PolarHBondContact O-N 2.97Å |
| 275 | N | 87.5 | Confident | 90.3 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -69.3 | -34 | 176 | -65.3 | -8 | 0 | 0 | 0 | 112.9 | C273 R277 | C273-N275 PolarHBondContact O-N 3.29Å; N275-R277 VanDerWaalsContact C-N 3.31Å |
| 276 | Q | 86.4 | Confident | 90.3 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -86.6 | -4.6 | 175.6 | -64 | 175.4 | 26.8 | 0 | 0 | 112.7 | C273 S278 | C273-Q276 HydrophobicContact CB-CB 3.93Å; C273-Q276 HydrophobicContact CB-CG 4.07Å; C273-Q276 CarbonylContact O-C 3.53Å; C273-Q276 PolarHBondContact O-N 3.36Å; C273-Q276 VanDerWaalsContact SG-CG 3.59Å; Q276-S278 PolarHBondContact O-N 2.78Å; Q276-S278 VanDerWaalsContact O-N 3.16Å; Q276-S278 PolarHBondContact O-OG 2.83Å |
| 277 | R | 88.9 | Confident | 90.1 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 32.4 | 178.9 | -59.4 | 177.5 | 172.2 | 163 | -4.6 | 114.6 | E216 L218 W219 C273 C274 N275 | E216-R277 IonicContact OE2-CZ 3.62Å; E216-R277 IonicContact OE2-NE 3.67Å; E216-R277 PolarHBondContact OE2-NE 3.31Å; E216-R277 IonicContact OE2-NH2 3.7Å; E216-R277 PolarHBondContact OE2-NH2 3.47Å; L218-R277 HydrophobicContact CD2-CB 4.19Å; L218-R277 HydrophobicContact CD2-CG 4.26Å; W219-R277 PolarHBondContact N-O 2.78Å; C273-R277 PolarHBondContact O-N 3.24Å; C274-R277 WeakPolarHBondContact O-CG 3.46Å; C274-R277 PolarHBondContact O-N 2.97Å; N275-R277 VanDerWaalsContact C-N 3.31Å |
| 278 | S | 88.2 | Confident | 89.8 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 158.3 | -173.5 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | W272 C273 Q276 | W272-S278 WeakPolarHBondContact CA-O 3.43Å; C273-S278 PolarHBondContact N-O 3.04Å; Q276-S278 PolarHBondContact O-N 2.78Å; Q276-S278 VanDerWaalsContact O-N 3.16Å; Q276-S278 PolarHBondContact O-OG 2.83Å |
| 279 | A | 88.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L271 W272 | L271-A279 CarbonylContact O-C 3.56Å; L271-A279 WeakPolarHBondContact O-CA 3.37Å; W272-A279 HydrophobicContact CD2-CB 4Å; W272-A279 HydrophobicContact CE3-CB 3.93Å; W272-A279 HydrophobicContact CH2-CB 4.37Å; W272-A279 HydrophobicContact CZ2-CB 4.41Å; W272-A279 HydrophobicContact CZ3-CB 4.13Å |
| 280 | V | 88.7 | Confident | 88.4 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -29.5 | -175.7 | -66 | 0 | 0 | 0 | 0 | 113.1 | L271 C273 | L271-V280 HydrophobicContact CB-CG2 4.18Å; L271-V280 WeakPolarHBondContact O-CG2 3.4Å; L271-V280 PolarHBondContact O-N 3.09Å; C273-V280 HydrophobicContact CB-CG1 3.61Å |
| 281 | V | 91.6 | Very high | 87.5 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 147.7 | 179.8 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | R270 L271 W345 I347 | R270-V281 WeakPolarHBondContact CA-O 3.46Å; L271-V281 PolarHBondContact N-O 2.82Å; V281-W345 HydrophobicContact CB-CB 4.24Å; V281-W345 HydrophobicContact CG2-CB 3.62Å; V281-W345 WeakPolarHBondContact CG2-O 3.13Å; V281-I347 HydrophobicContact CG1-CD1 3.72Å; V281-I347 HydrophobicContact CG1-CG1 3.93Å |
| 282 | H | 92.4 | Very high | 86.5 | Confident | 123 Ų | 123 | 58 Ų | 58 | 57% | 0.569 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.1 | 169.1 | 59.6 | -86.8 | 0 | 0 | 0 | 111.4 | L269 R270 | L269-H282 CarbonylContact O-C 3.5Å; L269-H282 WeakPolarHBondContact O-CA 3.43Å; L269-H282 WeakPolarHBondContact O-CB 3.46Å; R270-H282 HydrophobicContact CG-CB 4.13Å |
| 283 | F | 94.2 | Very high | 85.1 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.5 | 168.6 | -179.3 | -84 | 0 | 0 | 0 | 108.2 | R268 L269 F285 L336 I347 L349 | R268-F283 CarbonylContact C-O 3.52Å; R268-F283 VanDerWaalsContact CA-O 3.28Å; R268-F283 WeakPolarHBondContact CA-O 3.37Å; L269-F283 HydrophobicContact CB-CB 4.32Å; L269-F283 PolarHBondContact N-O 2.91Å; L269-F283 PolarHBondContact O-N 3.42Å; F283-F285 AromaticContact CD1-CD1 3.92Å; F283-F285 HydrophobicContact CD1-CD1 3.92Å; F283-F285 HydrophobicContact CD1-CD2 4.42Å; F283-F285 AromaticContact CD1-CE1 3.77Å; F283-F285 HydrophobicContact CD1-CE1 3.77Å; F283-F285 HydrophobicContact CD1-CE2 4.31Å; F283-F285 HydrophobicContact CD1-CG 4.23Å; F283-F285 AromaticContact CD1-CZ 3.98Å; F283-F285 HydrophobicContact CD1-CZ 3.98Å; F283-F285 AromaticContact CE1-CD1 3.62Å; F283-F285 HydrophobicContact CE1-CD1 3.62Å; F283-F285 AromaticContact CE1-CE1 3.69Å; F283-F285 HydrophobicContact CE1-CE1 3.69Å; F283-F285 HydrophobicContact CE1-CG 4.21Å; F283-F285 HydrophobicContact CE1-CZ 4.37Å; F283-L336 HydrophobicContact CB-CD2 4.16Å; F283-L336 HydrophobicContact CD1-CD2 3.4Å; F283-L336 HydrophobicContact CD2-CD2 3.73Å; F283-L336 HydrophobicContact CE1-CD2 3.64Å; F283-L336 HydrophobicContact CE2-CD2 3.95Å; F283-L336 HydrophobicContact CG-CD2 3.46Å; F283-L336 VanDerWaalsContact CG-CD2 3.46Å; F283-L336 HydrophobicContact CZ-CD2 3.92Å; F283-I347 HydrophobicContact CB-CG2 4.15Å; F283-I347 HydrophobicContact CD2-CG2 4.25Å; F283-I347 HydrophobicContact CG-CG2 4.4Å; F283-L349 HydrophobicContact CE2-CB 4.01Å; F283-L349 HydrophobicContact CZ-CB 3.76Å; F283-L349 HydrophobicContact CZ-CD2 4.45Å |
| 284 | D | 92.3 | Very high | 83.5 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.3 | -176.5 | -162.3 | -34.3 | 0 | 0 | 0 | 110.6 | R268 N286 | R268-D284 HydrophobicContact CG-CB 4.33Å; R268-D284 IonicContact CZ-OD2 3.61Å; R268-D284 IonicContact NE-OD2 3.02Å; R268-D284 PolarHBondContact NE-OD2 3.21Å; R268-D284 IonicContact NH2-OD2 3.25Å; R268-D284 PolarHBondContact NH2-OD2 3.27Å; R268-D284 VanDerWaalsContact NH2-OD2 3.08Å; D284-N286 WeakPolarHBondContact OD1-CB 3.39Å; D284-N286 PolarHBondContact OD1-N 3Å; D284-N286 PolarHBondContact OD1-ND2 2.82Å |
| 285 | F | 90.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -82.7 | -10.6 | 178.5 | -64.9 | -76.6 | 0 | 0 | 0 | 113.1 | L263 C267 L269 F283 E287 A288 L289 A323 I325 Y334 L336 | L263-F285 HydrophobicContact CD1-CD2 4.06Å; L263-F285 HydrophobicContact CD1-CE2 3.71Å; C267-F285 HydrophobicContact CB-CB 4.21Å; C267-F285 WeakPolarHBondContact O-CB 2.8Å; C267-F285 VanDerWaalsContact O-CD2 3.26Å; C267-F285 WeakPolarHBondContact O-CD2 3.2Å; C267-F285 PolarHBondContact O-N 3.32Å; L269-F285 HydrophobicContact CB-CE2 3.76Å; L269-F285 HydrophobicContact CB-CZ 4.17Å; F283-F285 AromaticContact CD1-CD1 3.92Å; F283-F285 HydrophobicContact CD1-CD1 3.92Å; F283-F285 HydrophobicContact CD1-CD2 4.42Å; F283-F285 AromaticContact CD1-CE1 3.77Å; F283-F285 HydrophobicContact CD1-CE1 3.77Å; F283-F285 HydrophobicContact CD1-CE2 4.31Å; F283-F285 HydrophobicContact CD1-CG 4.23Å; F283-F285 AromaticContact CD1-CZ 3.98Å; F283-F285 HydrophobicContact CD1-CZ 3.98Å; F283-F285 AromaticContact CE1-CD1 3.62Å; F283-F285 HydrophobicContact CE1-CD1 3.62Å; F283-F285 AromaticContact CE1-CE1 3.69Å; F283-F285 HydrophobicContact CE1-CE1 3.69Å; F283-F285 HydrophobicContact CE1-CG 4.21Å; F283-F285 HydrophobicContact CE1-CZ 4.37Å; F285-E287 VanDerWaalsContact C-N 3.29Å; F285-E287 PolarHBondContact O-N 2.77Å; F285-A288 CarbonylContact O-C 3.16Å; F285-A288 PolarHBondContact O-N 2.84Å; F285-A288 VanDerWaalsContact O-N 3.08Å; F285-L289 HydrophobicContact CB-CD1 4.01Å; F285-L289 HydrophobicContact CB-CG 4.42Å; F285-L289 WeakPolarHBondContact O-CB 3.5Å; F285-L289 WeakPolarHBondContact O-CG 3.5Å; F285-L289 PolarHBondContact O-N 2.84Å; F285-A323 HydrophobicContact CE1-CB 4.27Å; F285-A323 HydrophobicContact CE2-CB 4.21Å; F285-A323 HydrophobicContact CZ-CB 3.65Å; F285-I325 HydrophobicContact CB-CD1 3.91Å; F285-I325 HydrophobicContact CD1-CD1 3.8Å; F285-I325 HydrophobicContact CD2-CD1 3.44Å; F285-I325 VanDerWaalsContact CD2-CD1 3.44Å; F285-I325 HydrophobicContact CE1-CD1 4.16Å; F285-I325 HydrophobicContact CE2-CD1 3.81Å; F285-I325 HydrophobicContact CG-CD1 3.44Å; F285-I325 VanDerWaalsContact CG-CD1 3.44Å; F285-I325 HydrophobicContact CZ-CD1 4.17Å; F285-Y334 AromaticContact CD1-CD1 3.93Å; F285-Y334 HydrophobicContact CD1-CD1 3.93Å; F285-Y334 HydrophobicContact CD1-CD2 4.12Å; F285-Y334 HydrophobicContact CD1-CE1 4.38Å; F285-Y334 AromaticContact CD1-CG 3.79Å; F285-Y334 HydrophobicContact CD1-CG 3.79Å; F285-Y334 HydrophobicContact CE1-CD1 4.14Å; F285-Y334 HydrophobicContact CE1-CD2 4.22Å; F285-Y334 AromaticContact CE1-CG 3.7Å; F285-Y334 HydrophobicContact CE1-CG 3.7Å; F285-L336 HydrophobicContact CE1-CD1 3.97Å; F285-L336 HydrophobicContact CE1-CD2 4.09Å; F285-L336 HydrophobicContact CZ-CD1 3.86Å; F285-L336 HydrophobicContact CZ-CD2 4.19Å | ||
| 286 | N | 84.3 | Confident | 80.1 | Confident | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | -175 | -71.9 | -67.8 | 0 | 0 | 0 | 112.1 | D266 D284 L289 S290 | D266-N286 PolarHBondContact O-ND2 2.8Å; D266-N286 VanDerWaalsContact O-ND2 3.14Å; D284-N286 WeakPolarHBondContact OD1-CB 3.39Å; D284-N286 PolarHBondContact OD1-N 3Å; D284-N286 PolarHBondContact OD1-ND2 2.82Å; N286-L289 PolarHBondContact O-N 2.84Å; N286-S290 WeakPolarHBondContact O-CB 3.26Å; N286-S290 PolarHBondContact O-N 2.71Å |
| 287 | E | 80.9 | Confident | 78.2 | Confident | 163 Ų | 163 | 70.8 Ų | 70.8 | 76% | 0.762 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 175 | -173.4 | 178.3 | -179.4 | 0 | 0 | 110.8 | F285 L289 S290 | F285-E287 VanDerWaalsContact C-N 3.29Å; F285-E287 PolarHBondContact O-N 2.77Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.98Å; E287-S290 PolarHBondContact O-N 3.31Å; E287-S290 PolarHBondContact O-OG 2.9Å |
| 288 | A | 80.9 | Confident | 76.2 | Confident | 20 Ų | 20 | 70.3 Ų | 70.3 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.1 | -27.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F285 F292 Y334 | F285-A288 CarbonylContact O-C 3.16Å; F285-A288 PolarHBondContact O-N 2.84Å; F285-A288 VanDerWaalsContact O-N 3.08Å; A288-F292 VanDerWaalsContact O-CD2 3.23Å; A288-F292 WeakPolarHBondContact O-CD2 3.27Å; A288-F292 WeakPolarHBondContact O-CE2 3.38Å; A288-Y334 HydrophobicContact CB-CD1 4.41Å; A288-Y334 HydrophobicContact CB-CE1 3.68Å |
| 289 | L | 80.2 | Confident | 74.3 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -80.6 | -32.7 | 176.8 | -74.6 | 165.2 | 0 | 0 | 0 | 112.7 | C267 F285 N286 E287 V291 F292 C293 I325 V327 Y334 | C267-L289 HydrophobicContact CB-CD1 4.03Å; C267-L289 VanDerWaalsContact SG-CD1 3.52Å; F285-L289 HydrophobicContact CB-CD1 4.01Å; F285-L289 HydrophobicContact CB-CG 4.42Å; F285-L289 WeakPolarHBondContact O-CB 3.5Å; F285-L289 WeakPolarHBondContact O-CG 3.5Å; F285-L289 PolarHBondContact O-N 2.84Å; N286-L289 PolarHBondContact O-N 2.84Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.98Å; L289-V291 PolarHBondContact O-N 2.93Å; L289-V291 VanDerWaalsContact O-N 3.14Å; L289-F292 PolarHBondContact O-N 3.27Å; L289-C293 PolarHBondContact O-N 2.67Å; L289-I325 HydrophobicContact CD1-CG2 4.21Å; L289-I325 HydrophobicContact CD2-CG2 4.19Å; L289-V327 HydrophobicContact CD1-CG2 4.44Å; L289-V327 HydrophobicContact CD2-CG2 4.39Å; L289-Y334 HydrophobicContact CD2-CE2 4.33Å; L289-Y334 WeakPolarHBondContact CD2-OH 3.43Å |
| 290 | S | 77.3 | Confident | 72.5 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.3 | -29.8 | -177.8 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | N286 E287 F292 | N286-S290 WeakPolarHBondContact O-CB 3.26Å; N286-S290 PolarHBondContact O-N 2.71Å; E287-S290 PolarHBondContact O-N 3.31Å; E287-S290 PolarHBondContact O-OG 2.9Å; S290-F292 VanDerWaalsContact C-N 3.25Å; S290-F292 PolarHBondContact O-N 2.74Å |
| 291 | V | 76.3 | Confident | 70.9 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | L289 | L289-V291 PolarHBondContact O-N 2.93Å; L289-V291 VanDerWaalsContact O-N 3.14Å |
| 292 | F | 72.7 | Confident | 69.2 | Low | 76 Ų | 76 | 75.2 Ų | 75.2 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -28.7 | -176.6 | -55.2 | -70.3 | 0 | 0 | 0 | 112.7 | A288 L289 S290 G294 V330 R332 | A288-F292 VanDerWaalsContact O-CD2 3.23Å; A288-F292 WeakPolarHBondContact O-CD2 3.27Å; A288-F292 WeakPolarHBondContact O-CE2 3.38Å; L289-F292 PolarHBondContact O-N 3.27Å; S290-F292 VanDerWaalsContact C-N 3.25Å; S290-F292 PolarHBondContact O-N 2.74Å; F292-G294 PolarHBondContact O-N 2.88Å; F292-V330 HydrophobicContact CB-CG1 3.89Å; F292-V330 HydrophobicContact CB-CG2 4.12Å; F292-V330 HydrophobicContact CG-CG1 4.36Å; F292-R332 VanDerWaalsContact CZ-CZ 3.42Å; F292-R332 VanDerWaalsContact CZ-NE 3.3Å |
| 293 | C | 65.1 | Low | 67.4 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 27% | 0.27 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -90.1 | 82.2 | 179.7 | -60 | 0 | 0 | 0 | 0 | 108.5 | L289 N295 | L289-C293 PolarHBondContact O-N 2.67Å; C293-N295 PolarHBondContact O-N 3.2Å |
| 294 | G | 56.8 | Low | 65.7 | Low | 71 Ų | 71 | 78.2 Ų | 78.2 | 73% | 0.732 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -64.2 | 22.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | F292 | F292-G294 PolarHBondContact O-N 2.88Š|
| 295 | N | 53.9 | Low | 63.9 | Low | 131 Ų | 131 | 76.2 Ų | 76.2 | 70% | 0.701 | 44% | 0.444 | S | S | * | . | trans | -164 | 117.5 | 167.2 | -89.1 | -34.5 | 0 | 0 | 0 | 110 | C293 S297 | C293-N295 PolarHBondContact O-N 3.2Å; N295-S297 PolarHBondContact O-N 2.92Å | ||
| 296 | H | 52.2 | Low | 62.3 | Low | 170 Ų | 170 | 77.4 Ų | 77.4 | 79% | 0.787 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 5.5 | 178 | -69.6 | -73.1 | 0 | 0 | 0 | 115.3 | ||
| 297 | S | 46 | Very low | 62.1 | Low | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.2 | -164.1 | 49 | 0 | 0 | 0 | 0 | 115.4 | N295 | N295-S297 PolarHBondContact O-N 2.92Š|
| 298 | V | 47.6 | Very low | 62.4 | Low | 113 Ų | 113 | 70.5 Ų | 70.5 | 69% | 0.685 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -121 | 109.8 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | P300 | V298-P300 VanDerWaalsContact O-CD 3.26Å; V298-P300 WeakPolarHBondContact O-CD 3.3Å; V298-P300 VanDerWaalsContact O-N 3.13Å |
| 299 | P | 48.1 | Very low | 62.9 | Low | 96 Ų | 96 | 72 Ų | 72 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | trans | -56.4 | 123.1 | 168.3 | 22.5 | -29.2 | 0 | 0 | 0 | 106.6 | ||||
| 300 | P | 51.3 | Low | 63.6 | Low | 30 Ų | 30 | 71.9 Ų | 71.9 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | trans | -46.4 | 148.7 | 175.8 | -28.2 | 32.2 | 0 | 0 | 0 | 111 | V298 W302 V327 | V298-P300 VanDerWaalsContact O-CD 3.26Å; V298-P300 WeakPolarHBondContact O-CD 3.3Å; V298-P300 VanDerWaalsContact O-N 3.13Å; P300-W302 HydrophobicContact CB-CD2 3.82Å; P300-W302 HydrophobicContact CB-CE3 3.72Å; P300-W302 HydrophobicContact CB-CH2 4.03Å; P300-W302 HydrophobicContact CB-CZ2 4.06Å; P300-W302 HydrophobicContact CB-CZ3 3.8Å; P300-W302 HydrophobicContact CG-CD2 4.24Å; P300-W302 HydrophobicContact CG-CE3 4.15Å; P300-W302 HydrophobicContact CG-CH2 3.49Å; P300-W302 VanDerWaalsContact CG-CH2 3.49Å; P300-W302 HydrophobicContact CG-CZ2 3.52Å; P300-W302 HydrophobicContact CG-CZ3 3.75Å; P300-W302 PolarHBondContact O-N 2.85Å; P300-W302 PolarHBondContact O-NE1 2.87Å; P300-V327 HydrophobicContact CB-CB 4.49Å; P300-V327 HydrophobicContact CB-CG1 3.45Å; P300-V327 VanDerWaalsContact CB-CG1 3.45Å; P300-V327 HydrophobicContact CG-CG1 3.22Å | ||
| 301 | S | 53.8 | Low | 64.3 | Low | 96 Ų | 96 | 72.1 Ų | 72.1 | 67% | 0.671 | 41% | 0.412 | S | S | * | . | trans | -69.5 | 79.4 | 171.5 | 68.2 | 0 | 0 | 0 | 0 | 108.8 | M303 | S301-M303 PolarHBondContact O-N 3.29Š| ||
| 302 | W | 56.3 | Low | 65.2 | Low | 38 Ų | 38 | 68.2 Ų | 68.2 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.3 | -175.9 | -54.4 | 115.1 | 0 | 0 | 0 | 112.9 | F243 F265 C267 P300 D304 W308 V327 | F243-W302 HydrophobicContact CD1-CB 4.29Å; F243-W302 AromaticContact CD1-CD1 3.97Å; F243-W302 HydrophobicContact CD1-CG 4.2Å; F243-W302 HydrophobicContact CE1-CB 3.97Å; F243-W302 AromaticContact CE1-CD1 3.38Å; F243-W302 AromaticContact CE1-CG 3.88Å; F243-W302 HydrophobicContact CE1-CG 3.88Å; F265-W302 WeakPolarHBondContact CD1-O 3.46Å; F265-W302 WeakPolarHBondContact CE1-O 3.11Å; C267-W302 WeakPolarHBondContact SG-CH2 3.48Å; C267-W302 WeakPolarHBondContact SG-CZ3 3.49Å; P300-W302 HydrophobicContact CB-CD2 3.82Å; P300-W302 HydrophobicContact CB-CE3 3.72Å; P300-W302 HydrophobicContact CB-CH2 4.03Å; P300-W302 HydrophobicContact CB-CZ2 4.06Å; P300-W302 HydrophobicContact CB-CZ3 3.8Å; P300-W302 HydrophobicContact CG-CD2 4.24Å; P300-W302 HydrophobicContact CG-CE3 4.15Å; P300-W302 HydrophobicContact CG-CH2 3.49Å; P300-W302 VanDerWaalsContact CG-CH2 3.49Å; P300-W302 HydrophobicContact CG-CZ2 3.52Å; P300-W302 HydrophobicContact CG-CZ3 3.75Å; P300-W302 PolarHBondContact O-N 2.85Å; P300-W302 PolarHBondContact O-NE1 2.87Å; W302-D304 VanDerWaalsContact C-N 3.27Å; W302-D304 PolarHBondContact O-N 2.99Å; W302-W308 HydrophobicContact CD2-CH2 4.3Å; W302-W308 AromaticContact CE3-CH2 3.18Å; W302-W308 HydrophobicContact CE3-CH2 3.18Å; W302-W308 AromaticContact CE3-CZ2 3.27Å; W302-W308 HydrophobicContact CE3-CZ2 3.27Å; W302-W308 HydrophobicContact CE3-CZ3 4.49Å; W302-W308 AromaticContact CZ3-CH2 3.36Å; W302-W308 HydrophobicContact CZ3-CH2 3.36Å; W302-W308 AromaticContact CZ3-CZ2 3.5Å; W302-W308 HydrophobicContact CZ3-CZ2 3.5Å; W302-W308 VanDerWaalsContact CZ3-CZ2 3.5Å; W302-V327 HydrophobicContact CZ3-CG2 4.06Å |
| 303 | M | 54.1 | Low | 66 | Low | 165 Ų | 165 | 66 Ų | 66 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.6 | -169.1 | -60.9 | -162.8 | -66.5 | 0 | 0 | 114.5 | S301 G305 | S301-M303 PolarHBondContact O-N 3.29Å; M303-G305 VanDerWaalsContact C-N 3.33Å; M303-G305 PolarHBondContact O-N 2.76Å |
| 304 | D | 58.7 | Low | 67 | Low | 61 Ų | 61 | 67.6 Ų | 67.6 | 33% | 0.326 | 39% | 0.392 | S | S | . | . | trans | -94.7 | 64.5 | 173.6 | -164 | 5.9 | 0 | 0 | 0 | 111.4 | W302 S306 K307 | W302-D304 VanDerWaalsContact C-N 3.27Å; W302-D304 PolarHBondContact O-N 2.99Å; D304-S306 PolarHBondContact O-N 2.92Å; D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-OG 2.92Å; D304-K307 PolarHBondContact O-N 3.05Å; D304-K307 WeakPolarHBondContact OD2-CE 3.43Å; D304-K307 IonicContact OD2-NZ 3.29Å; D304-K307 PolarHBondContact OD2-NZ 3.08Å | ||
| 305 | G | 56 | Low | 68.3 | Low | 8 Ų | 8 | 66.7 Ų | 66.7 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -58.6 | -12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | T247 M303 K307 W308 | T247-G305 WeakPolarHBondContact OG1-CA 3.47Å; T247-G305 PolarHBondContact OG1-O 3.43Å; M303-G305 VanDerWaalsContact C-N 3.33Å; M303-G305 PolarHBondContact O-N 2.76Å; G305-K307 PolarHBondContact O-N 3.49Å; G305-K307 VanDerWaalsContact O-N 3.11Å; G305-W308 PolarHBondContact O-N 2.7Å; G305-W308 VanDerWaalsContact O-N 3.13Å |
| 306 | S | 56.8 | Low | 69.6 | Low | 25 Ų | 25 | 70.3 Ų | 70.3 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -57 | -24.7 | 173.6 | 78.1 | 0 | 0 | 0 | 0 | 113.5 | D48 D304 | D48-S306 WeakPolarHBondContact OD2-CB 3.15Å; D304-S306 PolarHBondContact O-N 2.92Å; D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-OG 2.92Å |
| 307 | K | 78.2 | Confident | 71 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -91.6 | 3.4 | -177 | -58.3 | 178.1 | 167.7 | 140.7 | 0 | 113.5 | D304 G305 Y324 C326 | D304-K307 PolarHBondContact O-N 3.05Å; D304-K307 WeakPolarHBondContact OD2-CE 3.43Å; D304-K307 IonicContact OD2-NZ 3.29Å; D304-K307 PolarHBondContact OD2-NZ 3.08Å; G305-K307 PolarHBondContact O-N 3.49Å; G305-K307 VanDerWaalsContact O-N 3.11Å; K307-Y324 WeakPolarHBondContact O-CD1 3.45Å; K307-Y324 WeakPolarHBondContact O-CE1 3.43Å; K307-C326 HydrophobicContact CB-CB 3.6Å; K307-C326 HydrophobicContact CD-CB 4.23Å; K307-C326 HydrophobicContact CG-CB 4.48Å |
| 308 | W | 88.1 | Confident | 73.1 | Confident | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | trans | -119 | 125.1 | -173 | -70.7 | 23.6 | 0 | 0 | 0 | 110 | T247 L263 S264 F265 C267 W302 G305 Y324 C326 V327 | T247-W308 HydrophobicContact CG2-CB 3.64Å; T247-W308 HydrophobicContact CG2-CD2 4.26Å; T247-W308 HydrophobicContact CG2-CE3 3.69Å; T247-W308 HydrophobicContact CG2-CG 4.33Å; L263-W308 HydrophobicContact CD2-CB 3.91Å; L263-W308 HydrophobicContact CD2-CE3 4.31Å; L263-W308 HydrophobicContact CG-CE3 4.27Å; S264-W308 VanDerWaalsContact O-CZ3 3.25Å; S264-W308 WeakPolarHBondContact O-CZ3 3.36Å; F265-W308 VanDerWaalsContact CA-CZ3 3.46Å; F265-W308 WeakPolarHBondContact O-CH2 3.41Å; C267-W308 WeakPolarHBondContact SG-CH2 3.34Å; W302-W308 HydrophobicContact CD2-CH2 4.3Å; W302-W308 AromaticContact CE3-CH2 3.18Å; W302-W308 HydrophobicContact CE3-CH2 3.18Å; W302-W308 AromaticContact CE3-CZ2 3.27Å; W302-W308 HydrophobicContact CE3-CZ2 3.27Å; W302-W308 HydrophobicContact CE3-CZ3 4.49Å; W302-W308 AromaticContact CZ3-CH2 3.36Å; W302-W308 HydrophobicContact CZ3-CH2 3.36Å; W302-W308 AromaticContact CZ3-CZ2 3.5Å; W302-W308 HydrophobicContact CZ3-CZ2 3.5Å; W302-W308 VanDerWaalsContact CZ3-CZ2 3.5Å; G305-W308 PolarHBondContact O-N 2.7Å; G305-W308 VanDerWaalsContact O-N 3.13Å; W308-Y324 WeakPolarHBondContact CA-O 3.16Å; W308-C326 PolarHBondContact NE1-O 3.28Å; W308-V327 HydrophobicContact CZ2-CG2 4.09Å | ||
| 309 | R | 90.8 | Very high | 75.2 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 138.9 | -173.3 | -66 | -169.5 | -159.6 | 151.2 | 8.8 | 112.8 | A323 Y324 L360 I361 F363 | R309-A323 CarbonylContact O-C 3.39Å; R309-A323 WeakPolarHBondContact O-CA 3.15Å; R309-Y324 PolarHBondContact N-O 2.97Å; R309-Y324 PolarHBondContact O-N 3.22Å; R309-L360 PolarHBondContact NH2-O 2.87Å; R309-I361 PolarHBondContact NH1-O 3.11Å; R309-F363 HydrophobicContact CB-CE1 3.84Å |
| 310 | I | 95 | Very high | 77.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.5 | 173 | -171.1 | 72.3 | 0 | 0 | 0 | 109.5 | S248 L263 L269 F321 V322 A323 | S248-I310 WeakPolarHBondContact OG-CG2 3.5Å; S248-I310 PolarHBondContact OG-N 2.61Å; L263-I310 HydrophobicContact CB-CB 4.19Å; L263-I310 HydrophobicContact CB-CG2 4.25Å; L269-I310 HydrophobicContact CD1-CD1 3.71Å; I310-F321 HydrophobicContact CD1-CB 4.26Å; I310-V322 WeakPolarHBondContact CA-O 3.45Å; I310-A323 HydrophobicContact CD1-CB 3.79Å |
| 311 | K | 93.6 | Very high | 79.4 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 21% | 0.213 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.3 | 164.1 | -64 | -171.1 | 178.9 | -172.7 | 0 | 109.4 | F313 V322 D362 F363 | K311-F313 HydrophobicContact CB-CE2 3.82Å; K311-F313 HydrophobicContact CB-CZ 3.82Å; K311-F313 HydrophobicContact CD-CZ 4.21Å; K311-V322 PolarHBondContact N-O 2.92Å; K311-V322 PolarHBondContact O-N 2.86Å; K311-D362 WeakPolarHBondContact CE-OD1 3.28Å; K311-D362 IonicContact NZ-OD1 3.57Å; K311-D362 PolarHBondContact NZ-OD1 3.36Å; K311-D362 IonicContact NZ-OD2 3Å; K311-D362 PolarHBondContact NZ-OD2 2.76Å; K311-F363 HydrophobicContact CB-CE2 3.79Å; K311-F363 HydrophobicContact CB-CZ 4.01Å; K311-F363 HydrophobicContact CD-CD2 4.26Å; K311-F363 HydrophobicContact CD-CE2 3.88Å; K311-F363 HydrophobicContact CD-CZ 4.12Å; K311-F363 WeakPolarHBondContact CD-O 3.14Å; K311-F363 WeakPolarHBondContact CE-O 3.48Å; K311-F363 HydrophobicContact CG-CE1 4.5Å; K311-F363 HydrophobicContact CG-CE2 3.84Å; K311-F363 HydrophobicContact CG-CZ 3.75Å; K311-F363 PolarHBondContact NZ-O 2.94Å |
| 312 | C | 93.4 | Very high | 81.4 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.3 | 172.3 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | C250 F251 V319 C320 F321 | C250-C312 VanDerWaalsContact SG-SG 3.67Å; F251-C312 PolarHBondContact O-SG 3.45Å; C312-V319 HydrophobicContact CB-CG1 3.84Å; C312-C320 CarbonylContact C-O 3.44Å; C312-C320 VanDerWaalsContact CA-O 3.27Å; C312-C320 WeakPolarHBondContact CA-O 3.36Å; C312-F321 HydrophobicContact CB-CD1 3.86Å; C312-F321 HydrophobicContact CB-CE1 4.02Å |
| 313 | F | 89.3 | Confident | 83.3 | Confident | 28 Ų | 28 | 45.8 Ų | 45.8 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.4 | 178.5 | -53.3 | -88.7 | 0 | 0 | 0 | 108.1 | K311 L315 C320 V322 F363 H364 L365 | K311-F313 HydrophobicContact CB-CE2 3.82Å; K311-F313 HydrophobicContact CB-CZ 3.82Å; K311-F313 HydrophobicContact CD-CZ 4.21Å; F313-L315 PolarHBondContact O-N 3.2Å; F313-C320 HydrophobicContact CB-CB 4.25Å; F313-C320 PolarHBondContact N-O 2.76Å; F313-C320 PolarHBondContact O-N 2.86Å; F313-V322 HydrophobicContact CD2-CG2 4.06Å; F313-V322 HydrophobicContact CE2-CB 4.17Å; F313-V322 HydrophobicContact CE2-CG2 3.77Å; F313-F363 HydrophobicContact CE2-CE2 4.48Å; F313-H364 AromaticContact CE1-ND1 3.93Å; F313-L365 HydrophobicContact CD1-CB 3.94Å; F313-L365 WeakPolarHBondContact CD1-O 2.89Å; F313-L365 HydrophobicContact CD2-CB 3.87Å; F313-L365 HydrophobicContact CD2-CD2 3.9Å; F313-L365 HydrophobicContact CD2-CG 4.44Å; F313-L365 HydrophobicContact CE1-CB 3.75Å; F313-L365 WeakPolarHBondContact CE1-O 3.27Å; F313-L365 HydrophobicContact CE2-CB 3.69Å; F313-L365 HydrophobicContact CE2-CD2 4.33Å; F313-L365 HydrophobicContact CG-CB 4Å; F313-L365 HydrophobicContact CG-CD2 4.23Å; F313-L365 HydrophobicContact CG-CG 4.46Å; F313-L365 HydrophobicContact CZ-CB 3.63Å |
| 314 | S | 86.2 | Confident | 85.2 | Confident | 75 Ų | 75 | 38.2 Ų | 38.2 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.9 | 178.2 | -61.3 | 0 | 0 | 0 | 0 | 110 | ||
| 315 | L | 84.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | trans | -109 | 170 | 166.3 | -51.7 | 173.4 | 0 | 0 | 0 | 108.1 | F313 S317 S318 C320 I389 | F313-L315 PolarHBondContact O-N 3.2Å; L315-S317 VanDerWaalsContact C-N 3.31Å; L315-S317 PolarHBondContact O-N 3.29Å; L315-S318 CarbonylContact C-O 3.48Å; L315-S318 WeakPolarHBondContact CA-O 3.33Å; L315-S318 VanDerWaalsContact CB-O 3.31Å; L315-S318 WeakPolarHBondContact CB-O 3.37Å; L315-S318 VanDerWaalsContact CD1-OG 3.29Å; L315-S318 WeakPolarHBondContact CD1-OG 3.43Å; L315-S318 PolarHBondContact N-O 2.73Å; L315-S318 VanDerWaalsContact O-O 3.14Å; L315-C320 HydrophobicContact CD1-CB 3.98Å; L315-C320 HydrophobicContact CD2-CB 4.29Å; L315-C320 HydrophobicContact CG-CB 4.15Å; L315-I389 HydrophobicContact CD1-CG2 3.89Å; L315-I389 HydrophobicContact CD2-CD1 3.73Å; L315-I389 HydrophobicContact CD2-CG2 4.41Å | ||
| 316 | E | 81 | Confident | 88.2 | Confident | 208 Ų | 208 | 35.8 Ų | 35.8 | 97% | 0.972 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -53.8 | -43.7 | -175.4 | -65.7 | -178.9 | 171.8 | 0 | 0 | 113.6 | ||
| 317 | S | 82.5 | Confident | 89.2 | Confident | 97 Ų | 97 | 35 Ų | 35 | 68% | 0.678 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -128.5 | 5.4 | -177 | 60 | 0 | 0 | 0 | 0 | 114 | L315 | L315-S317 VanDerWaalsContact C-N 3.31Å; L315-S317 PolarHBondContact O-N 3.29Å |
| 318 | S | 89.2 | Confident | 89.1 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -150.9 | -179.3 | -172.9 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | L315 R337 G338 | L315-S318 CarbonylContact C-O 3.48Å; L315-S318 WeakPolarHBondContact CA-O 3.33Å; L315-S318 VanDerWaalsContact CB-O 3.31Å; L315-S318 WeakPolarHBondContact CB-O 3.37Å; L315-S318 VanDerWaalsContact CD1-OG 3.29Å; L315-S318 WeakPolarHBondContact CD1-OG 3.43Å; L315-S318 PolarHBondContact N-O 2.73Å; L315-S318 VanDerWaalsContact O-O 3.14Å; S318-R337 PolarHBondContact OG-NE 2.79Å; S318-G338 WeakPolarHBondContact CA-O 3.41Å; S318-G338 VanDerWaalsContact CB-O 3.31Å; S318-G338 WeakPolarHBondContact CB-O 3.44Å |
| 319 | V | 91.9 | Very high | 88.5 | Confident | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.1 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | V252 C312 F321 R337 G338 W345 | V252-V319 HydrophobicContact CG1-CB 4.29Å; V252-V319 HydrophobicContact CG1-CG1 3.95Å; V252-V319 HydrophobicContact CG1-CG2 3.59Å; C312-V319 HydrophobicContact CB-CG1 3.84Å; V319-F321 HydrophobicContact CB-CE2 4.34Å; V319-F321 HydrophobicContact CB-CZ 4.14Å; V319-F321 HydrophobicContact CG1-CD1 4.22Å; V319-F321 HydrophobicContact CG1-CE1 3.79Å; V319-F321 HydrophobicContact CG1-CE2 4.28Å; V319-F321 HydrophobicContact CG1-CZ 3.81Å; V319-R337 CarbonylContact O-C 3.43Å; V319-R337 WeakPolarHBondContact O-CA 3.42Å; V319-G338 PolarHBondContact N-O 2.94Å; V319-G338 PolarHBondContact O-N 2.83Å; V319-W345 HydrophobicContact CG2-CH2 4.11Å; V319-W345 HydrophobicContact CG2-CZ3 4.32Å |
| 320 | C | 93.5 | Very high | 88 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.4 | 170 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | C312 F313 L315 V335 L336 I389 | C312-C320 CarbonylContact C-O 3.44Å; C312-C320 VanDerWaalsContact CA-O 3.27Å; C312-C320 WeakPolarHBondContact CA-O 3.36Å; F313-C320 HydrophobicContact CB-CB 4.25Å; F313-C320 PolarHBondContact N-O 2.76Å; F313-C320 PolarHBondContact O-N 2.86Å; L315-C320 HydrophobicContact CD1-CB 3.98Å; L315-C320 HydrophobicContact CD2-CB 4.29Å; L315-C320 HydrophobicContact CG-CB 4.15Å; C320-V335 VanDerWaalsContact SG-CG1 3.54Å; C320-L336 CarbonylContact C-O 3.6Å; C320-L336 WeakPolarHBondContact CA-O 3.47Å; C320-I389 HydrophobicContact CB-CD1 4.35Å; C320-I389 HydrophobicContact CB-CG2 4.44Å |
| 321 | F | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.1 | 169.7 | -58.5 | -74.1 | 0 | 0 | 0 | 109 | V252 C261 L269 L271 I310 C312 V319 V335 L336 | V252-F321 HydrophobicContact CG2-CE1 3.6Å; V252-F321 HydrophobicContact CG2-CZ 4.04Å; C261-F321 HydrophobicContact CB-CD1 4.42Å; C261-F321 HydrophobicContact CB-CE1 4.01Å; L269-F321 HydrophobicContact CD1-CB 4.04Å; L269-F321 HydrophobicContact CD1-CD1 4.49Å; L269-F321 HydrophobicContact CD1-CG 4.19Å; L271-F321 HydrophobicContact CD1-CE2 4.41Å; L271-F321 HydrophobicContact CD1-CZ 4.09Å; L271-F321 HydrophobicContact CD2-CE1 3.88Å; L271-F321 HydrophobicContact CD2-CE2 4.47Å; L271-F321 HydrophobicContact CD2-CZ 3.65Å; L271-F321 HydrophobicContact CG-CZ 4.45Å; I310-F321 HydrophobicContact CD1-CB 4.26Å; C312-F321 HydrophobicContact CB-CD1 3.86Å; C312-F321 HydrophobicContact CB-CE1 4.02Å; V319-F321 HydrophobicContact CB-CE2 4.34Å; V319-F321 HydrophobicContact CB-CZ 4.14Å; V319-F321 HydrophobicContact CG1-CD1 4.22Å; V319-F321 HydrophobicContact CG1-CE1 3.79Å; V319-F321 HydrophobicContact CG1-CE2 4.28Å; V319-F321 HydrophobicContact CG1-CZ 3.81Å; F321-V335 CarbonylContact O-C 3.54Å; F321-V335 WeakPolarHBondContact O-CA 3.33Å; F321-L336 HydrophobicContact CB-CB 4.22Å; F321-L336 HydrophobicContact CB-CD1 4.14Å; F321-L336 PolarHBondContact N-O 3.4Å; F321-L336 PolarHBondContact O-N 2.86Å |
| 322 | V | 95.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.7 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | I310 K311 F313 F333 Y334 V335 F363 L365 F370 | I310-V322 WeakPolarHBondContact CA-O 3.45Å; K311-V322 PolarHBondContact N-O 2.92Å; K311-V322 PolarHBondContact O-N 2.86Å; F313-V322 HydrophobicContact CD2-CG2 4.06Å; F313-V322 HydrophobicContact CE2-CB 4.17Å; F313-V322 HydrophobicContact CE2-CG2 3.77Å; V322-F333 HydrophobicContact CG1-CD1 3.98Å; V322-Y334 CarbonylContact C-O 3.56Å; V322-Y334 WeakPolarHBondContact CA-O 3.39Å; V322-V335 HydrophobicContact CG2-CG1 4.39Å; V322-V335 HydrophobicContact CG2-CG2 4.31Å; V322-F363 HydrophobicContact CB-CE2 3.74Å; V322-F363 HydrophobicContact CB-CZ 4.38Å; V322-F363 HydrophobicContact CG1-CD2 4.11Å; V322-F363 HydrophobicContact CG1-CE2 3.6Å; V322-F363 HydrophobicContact CG1-CZ 4.16Å; V322-F363 WeakPolarHBondContact O-CZ 3.29Å; V322-L365 HydrophobicContact CG2-CD2 4.23Å; V322-F370 HydrophobicContact CG1-CE2 3.7Å; V322-F370 HydrophobicContact CG1-CZ 4.06Å; V322-F370 HydrophobicContact CG2-CE2 4.33Å |
| 323 | A | 95.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F285 R309 I310 I325 F333 Y334 | F285-A323 HydrophobicContact CE1-CB 4.27Å; F285-A323 HydrophobicContact CE2-CB 4.21Å; F285-A323 HydrophobicContact CZ-CB 3.65Å; R309-A323 CarbonylContact O-C 3.39Å; R309-A323 WeakPolarHBondContact O-CA 3.15Å; I310-A323 HydrophobicContact CD1-CB 3.79Å; A323-I325 HydrophobicContact CB-CD1 4.36Å; A323-I325 HydrophobicContact CB-CG1 4.34Å; A323-F333 CarbonylContact O-C 3.24Å; A323-F333 WeakPolarHBondContact O-CA 3.47Å; A323-Y334 PolarHBondContact N-O 3.28Å; A323-Y334 PolarHBondContact O-N 3.06Å |
| 324 | Y | 94.4 | Very high | 88 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.2 | 162.4 | 174.7 | -110.9 | 0 | 0 | 0 | 108.7 | K307 W308 R309 C326 S331 R332 F333 A355 L360 | K307-Y324 WeakPolarHBondContact O-CD1 3.45Å; K307-Y324 WeakPolarHBondContact O-CE1 3.43Å; W308-Y324 WeakPolarHBondContact CA-O 3.16Å; R309-Y324 PolarHBondContact N-O 2.97Å; R309-Y324 PolarHBondContact O-N 3.22Å; Y324-C326 HydrophobicContact CE1-CB 4.16Å; Y324-S331 PolarHBondContact OH-OG 2.85Å; Y324-R332 WeakPolarHBondContact CA-O 3.17Å; Y324-R332 WeakPolarHBondContact CD2-O 3.48Å; Y324-F333 HydrophobicContact CD2-CD1 4.1Å; Y324-F333 HydrophobicContact CD2-CD2 4.39Å; Y324-F333 AromaticContact CD2-CE1 3.79Å; Y324-F333 HydrophobicContact CD2-CE1 3.79Å; Y324-F333 HydrophobicContact CD2-CE2 4.12Å; Y324-F333 HydrophobicContact CD2-CG 4.41Å; Y324-F333 AromaticContact CD2-CZ 3.82Å; Y324-F333 HydrophobicContact CD2-CZ 3.82Å; Y324-F333 HydrophobicContact CE2-CZ 4.44Å; Y324-F333 HydrophobicContact CG-CD1 4.45Å; Y324-F333 HydrophobicContact CG-CE1 4.06Å; Y324-F333 HydrophobicContact CG-CZ 4.42Å; Y324-A355 HydrophobicContact CD2-CB 4.26Å; Y324-A355 HydrophobicContact CE2-CB 3.58Å; Y324-L360 HydrophobicContact CD1-CB 4.26Å; Y324-L360 HydrophobicContact CD1-CD2 3.3Å; Y324-L360 HydrophobicContact CD1-CG 4.4Å; Y324-L360 HydrophobicContact CD2-CD2 3.59Å; Y324-L360 HydrophobicContact CE1-CB 3.68Å; Y324-L360 HydrophobicContact CE1-CD2 3.62Å; Y324-L360 HydrophobicContact CE1-CG 4.31Å; Y324-L360 HydrophobicContact CE2-CB 4.29Å; Y324-L360 HydrophobicContact CE2-CD2 3.9Å; Y324-L360 HydrophobicContact CG-CD2 3.27Å |
| 325 | I | 91.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.9 | -178.4 | -62 | 175 | 0 | 0 | 0 | 107.8 | L263 F285 L289 A323 V327 R332 Y334 | L263-I325 HydrophobicContact CD1-CD1 4.28Å; L263-I325 HydrophobicContact CD2-CG1 4.19Å; F285-I325 HydrophobicContact CB-CD1 3.91Å; F285-I325 HydrophobicContact CD1-CD1 3.8Å; F285-I325 HydrophobicContact CD2-CD1 3.44Å; F285-I325 VanDerWaalsContact CD2-CD1 3.44Å; F285-I325 HydrophobicContact CE1-CD1 4.16Å; F285-I325 HydrophobicContact CE2-CD1 3.81Å; F285-I325 HydrophobicContact CG-CD1 3.44Å; F285-I325 VanDerWaalsContact CG-CD1 3.44Å; F285-I325 HydrophobicContact CZ-CD1 4.17Å; L289-I325 HydrophobicContact CD1-CG2 4.21Å; L289-I325 HydrophobicContact CD2-CG2 4.19Å; A323-I325 HydrophobicContact CB-CD1 4.36Å; A323-I325 HydrophobicContact CB-CG1 4.34Å; I325-V327 HydrophobicContact CG2-CG2 3.58Å; I325-R332 PolarHBondContact N-O 2.81Å; I325-R332 PolarHBondContact O-N 3.32Å; I325-Y334 HydrophobicContact CB-CD2 4.38Å; I325-Y334 HydrophobicContact CB-CE2 4.13Å; I325-Y334 HydrophobicContact CD1-CD2 3.91Å; I325-Y334 HydrophobicContact CD1-CE2 4.06Å; I325-Y334 HydrophobicContact CG1-CD2 4.29Å; I325-Y334 HydrophobicContact CG1-CE2 4.44Å |
| 326 | C | 85.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 12% | 0.122 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.1 | 177.4 | -176 | 0 | 0 | 0 | 0 | 109.6 | K307 W308 Y324 V330 S331 | K307-C326 HydrophobicContact CB-CB 3.6Å; K307-C326 HydrophobicContact CD-CB 4.23Å; K307-C326 HydrophobicContact CG-CB 4.48Å; W308-C326 PolarHBondContact NE1-O 3.28Å; Y324-C326 HydrophobicContact CE1-CB 4.16Å; C326-V330 CarbonylContact C-O 3.59Å; C326-V330 WeakPolarHBondContact CA-O 3.25Å; C326-S331 PolarHBondContact SG-OG 3.12Å |
| 327 | V | 78.3 | Confident | 89.4 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 103.4 | -170.9 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | L289 P300 W302 W308 I325 N329 V330 | L289-V327 HydrophobicContact CD1-CG2 4.44Å; L289-V327 HydrophobicContact CD2-CG2 4.39Å; P300-V327 HydrophobicContact CB-CB 4.49Å; P300-V327 HydrophobicContact CB-CG1 3.45Å; P300-V327 VanDerWaalsContact CB-CG1 3.45Å; P300-V327 HydrophobicContact CG-CG1 3.22Å; W302-V327 HydrophobicContact CZ3-CG2 4.06Å; W308-V327 HydrophobicContact CZ2-CG2 4.09Å; I325-V327 HydrophobicContact CG2-CG2 3.58Å; V327-N329 PolarHBondContact O-N 3.22Å; V327-V330 PolarHBondContact N-O 3.39Å; V327-V330 WeakPolarHBondContact O-CB 3.43Å; V327-V330 PolarHBondContact O-N 2.98Å |
| 328 | G | 75.2 | Confident | 89.9 | Confident | 55 Ų | 55 | 20.6 Ų | 20.6 | 57% | 0.567 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -119.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 329 | N | 75.7 | Confident | 90 | Very high | 174 Ų | 174 | 22.5 Ų | 22.5 | 93% | 0.93 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.1 | 177 | -64.6 | -19.3 | 0 | 0 | 0 | 113.2 | V327 | V327-N329 PolarHBondContact O-N 3.22Š|
| 330 | V | 80.5 | Confident | 89.8 | Confident | 34 Ų | 34 | 25.1 Ų | 25.1 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.4 | -177.7 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | F292 C326 V327 R332 | F292-V330 HydrophobicContact CB-CG1 3.89Å; F292-V330 HydrophobicContact CB-CG2 4.12Å; F292-V330 HydrophobicContact CG-CG1 4.36Å; C326-V330 CarbonylContact C-O 3.59Å; C326-V330 WeakPolarHBondContact CA-O 3.25Å; V327-V330 PolarHBondContact N-O 3.39Å; V327-V330 WeakPolarHBondContact O-CB 3.43Å; V327-V330 PolarHBondContact O-N 2.98Å; V330-R332 HydrophobicContact CG1-CG 3.89Å |
| 331 | S | 88.6 | Confident | 89.3 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 18% | 0.175 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.6 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | Y324 C326 A355 | Y324-S331 PolarHBondContact OH-OG 2.85Å; C326-S331 PolarHBondContact SG-OG 3.12Å; S331-A355 WeakPolarHBondContact O-CB 3.31Å; S331-A355 PolarHBondContact O-N 3.3Å |
| 332 | R | 92.5 | Very high | 88.7 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153.3 | -175.6 | -59.3 | -170.4 | 76.5 | 78.1 | -3.6 | 112.6 | F292 Y324 I325 V330 Y334 N352 F353 | F292-R332 VanDerWaalsContact CZ-CZ 3.42Å; F292-R332 VanDerWaalsContact CZ-NE 3.3Å; Y324-R332 WeakPolarHBondContact CA-O 3.17Å; Y324-R332 WeakPolarHBondContact CD2-O 3.48Å; I325-R332 PolarHBondContact N-O 2.81Å; I325-R332 PolarHBondContact O-N 3.32Å; V330-R332 HydrophobicContact CG1-CG 3.89Å; R332-Y334 HydrophobicContact CB-CD2 4.44Å; R332-Y334 HydrophobicContact CB-CE2 3.81Å; R332-N352 VanDerWaalsContact CZ-OD1 3.27Å; R332-N352 PolarHBondContact NE-OD1 3.34Å; R332-N352 PolarHBondContact NH2-OD1 2.8Å; R332-F353 WeakPolarHBondContact CA-O 2.91Å |
| 333 | F | 94.8 | Very high | 88 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.9 | 164.3 | -66.5 | -83 | 0 | 0 | 0 | 109.6 | V322 A323 Y324 N352 F353 A355 L360 F363 F370 W374 W398 | V322-F333 HydrophobicContact CG1-CD1 3.98Å; A323-F333 CarbonylContact O-C 3.24Å; A323-F333 WeakPolarHBondContact O-CA 3.47Å; Y324-F333 HydrophobicContact CD2-CD1 4.1Å; Y324-F333 HydrophobicContact CD2-CD2 4.39Å; Y324-F333 AromaticContact CD2-CE1 3.79Å; Y324-F333 HydrophobicContact CD2-CE1 3.79Å; Y324-F333 HydrophobicContact CD2-CE2 4.12Å; Y324-F333 HydrophobicContact CD2-CG 4.41Å; Y324-F333 AromaticContact CD2-CZ 3.82Å; Y324-F333 HydrophobicContact CD2-CZ 3.82Å; Y324-F333 HydrophobicContact CE2-CZ 4.44Å; Y324-F333 HydrophobicContact CG-CD1 4.45Å; Y324-F333 HydrophobicContact CG-CE1 4.06Å; Y324-F333 HydrophobicContact CG-CZ 4.42Å; F333-N352 CarbonylContact O-C 3.59Å; F333-N352 WeakPolarHBondContact O-CA 3.36Å; F333-N352 WeakPolarHBondContact O-CB 3.47Å; F333-F353 HydrophobicContact CB-CD2 3.92Å; F333-F353 HydrophobicContact CB-CE1 4.14Å; F333-F353 HydrophobicContact CB-CE2 3.49Å; F333-F353 VanDerWaalsContact CB-CE2 3.49Å; F333-F353 HydrophobicContact CB-CG 4.43Å; F333-F353 HydrophobicContact CB-CZ 3.6Å; F333-F353 AromaticContact CD2-CD2 3.87Å; F333-F353 HydrophobicContact CD2-CD2 3.87Å; F333-F353 AromaticContact CD2-CE2 3.38Å; F333-F353 HydrophobicContact CD2-CE2 3.38Å; F333-F353 HydrophobicContact CD2-CZ 4.23Å; F333-F353 HydrophobicContact CE2-CE2 4.3Å; F333-F353 HydrophobicContact CG-CD2 4.3Å; F333-F353 AromaticContact CG-CE2 3.65Å; F333-F353 HydrophobicContact CG-CE2 3.65Å; F333-F353 HydrophobicContact CG-CZ 4.04Å; F333-F353 PolarHBondContact N-O 3Å; F333-F353 PolarHBondContact O-N 3Å; F333-A355 HydrophobicContact CD2-CB 3.99Å; F333-A355 HydrophobicContact CE2-CB 3.65Å; F333-L360 HydrophobicContact CE1-CD2 3.81Å; F333-L360 HydrophobicContact CZ-CD1 3.81Å; F333-L360 HydrophobicContact CZ-CD2 3.63Å; F333-L360 HydrophobicContact CZ-CG 4.41Å; F333-F363 HydrophobicContact CE1-CB 3.95Å; F333-F363 AromaticContact CE1-CD1 3.73Å; F333-F363 HydrophobicContact CE1-CD1 3.73Å; F333-F363 HydrophobicContact CE1-CD2 4.33Å; F333-F363 HydrophobicContact CE1-CE1 4.24Å; F333-F363 AromaticContact CE1-CG 3.74Å; F333-F363 HydrophobicContact CE1-CG 3.74Å; F333-F363 HydrophobicContact CZ-CB 4.29Å; F333-F370 HydrophobicContact CD1-CE1 4.08Å; F333-F370 AromaticContact CD1-CZ 3.53Å; F333-F370 HydrophobicContact CD1-CZ 3.53Å; F333-F370 HydrophobicContact CD2-CE1 4.24Å; F333-F370 HydrophobicContact CD2-CZ 4.47Å; F333-F370 AromaticContact CE1-CE1 3.93Å; F333-F370 HydrophobicContact CE1-CE1 3.93Å; F333-F370 AromaticContact CE1-CZ 3.55Å; F333-F370 HydrophobicContact CE1-CZ 3.55Å; F333-F370 HydrophobicContact CE2-CE1 4.09Å; F333-F370 HydrophobicContact CE2-CZ 4.48Å; F333-F370 HydrophobicContact CG-CE1 4.21Å; F333-F370 AromaticContact CG-CZ 3.99Å; F333-F370 HydrophobicContact CG-CZ 3.99Å; F333-F370 AromaticContact CZ-CE1 3.92Å; F333-F370 HydrophobicContact CZ-CE1 3.92Å; F333-F370 HydrophobicContact CZ-CZ 4.04Å; F333-W374 HydrophobicContact CE2-CZ2 4.33Å; F333-W398 HydrophobicContact CD2-CZ2 4.36Å; F333-W398 HydrophobicContact CE2-CH2 4.3Å; F333-W398 HydrophobicContact CE2-CZ2 4.12Å |
| 334 | Y | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.7 | 172 | -64.6 | -92 | 0 | 0 | 0 | 108.5 | F285 A288 L289 V322 A323 I325 R332 L349 N352 | F285-Y334 AromaticContact CD1-CD1 3.93Å; F285-Y334 HydrophobicContact CD1-CD1 3.93Å; F285-Y334 HydrophobicContact CD1-CD2 4.12Å; F285-Y334 HydrophobicContact CD1-CE1 4.38Å; F285-Y334 AromaticContact CD1-CG 3.79Å; F285-Y334 HydrophobicContact CD1-CG 3.79Å; F285-Y334 HydrophobicContact CE1-CD1 4.14Å; F285-Y334 HydrophobicContact CE1-CD2 4.22Å; F285-Y334 AromaticContact CE1-CG 3.7Å; F285-Y334 HydrophobicContact CE1-CG 3.7Å; A288-Y334 HydrophobicContact CB-CD1 4.41Å; A288-Y334 HydrophobicContact CB-CE1 3.68Å; L289-Y334 HydrophobicContact CD2-CE2 4.33Å; L289-Y334 WeakPolarHBondContact CD2-OH 3.43Å; V322-Y334 CarbonylContact C-O 3.56Å; V322-Y334 WeakPolarHBondContact CA-O 3.39Å; A323-Y334 PolarHBondContact N-O 3.28Å; A323-Y334 PolarHBondContact O-N 3.06Å; I325-Y334 HydrophobicContact CB-CD2 4.38Å; I325-Y334 HydrophobicContact CB-CE2 4.13Å; I325-Y334 HydrophobicContact CD1-CD2 3.91Å; I325-Y334 HydrophobicContact CD1-CE2 4.06Å; I325-Y334 HydrophobicContact CG1-CD2 4.29Å; I325-Y334 HydrophobicContact CG1-CE2 4.44Å; R332-Y334 HydrophobicContact CB-CD2 4.44Å; R332-Y334 HydrophobicContact CB-CE2 3.81Å; Y334-L349 HydrophobicContact CD1-CD1 4Å; Y334-N352 HydrophobicContact CD1-CB 3.68Å; Y334-N352 HydrophobicContact CE1-CB 3.93Å; Y334-N352 HydrophobicContact CG-CB 4.31Å |
| 335 | V | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.2 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | C320 F321 V322 L350 T351 F353 F387 | C320-V335 VanDerWaalsContact SG-CG1 3.54Å; F321-V335 CarbonylContact O-C 3.54Å; F321-V335 WeakPolarHBondContact O-CA 3.33Å; V322-V335 HydrophobicContact CG2-CG1 4.39Å; V322-V335 HydrophobicContact CG2-CG2 4.31Å; V335-L350 HydrophobicContact CG1-CD1 4.4Å; V335-L350 WeakPolarHBondContact O-CB 3.19Å; V335-L350 PolarHBondContact O-N 2.9Å; V335-T351 HydrophobicContact CB-CG2 4.06Å; V335-T351 HydrophobicContact CG2-CG2 4.26Å; V335-T351 PolarHBondContact N-O 3.47Å; V335-T351 PolarHBondContact O-N 3.5Å; V335-F353 HydrophobicContact CG2-CE1 3.9Å; V335-F387 HydrophobicContact CB-CZ 4Å; V335-F387 HydrophobicContact CG1-CE1 3.99Å; V335-F387 HydrophobicContact CG1-CZ 3.79Å; V335-F387 HydrophobicContact CG2-CE1 4.25Å; V335-F387 HydrophobicContact CG2-CE2 4.28Å; V335-F387 HydrophobicContact CG2-CZ 3.68Å |
| 336 | L | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150 | -178.5 | -44.2 | 92.4 | 0 | 0 | 0 | 110.3 | L269 F283 F285 C320 F321 I347 H348 L349 | L269-L336 HydrophobicContact CD1-CD1 4.3Å; F283-L336 HydrophobicContact CB-CD2 4.16Å; F283-L336 HydrophobicContact CD1-CD2 3.4Å; F283-L336 HydrophobicContact CD2-CD2 3.73Å; F283-L336 HydrophobicContact CE1-CD2 3.64Å; F283-L336 HydrophobicContact CE2-CD2 3.95Å; F283-L336 HydrophobicContact CG-CD2 3.46Å; F283-L336 VanDerWaalsContact CG-CD2 3.46Å; F283-L336 HydrophobicContact CZ-CD2 3.92Å; F285-L336 HydrophobicContact CE1-CD1 3.97Å; F285-L336 HydrophobicContact CE1-CD2 4.09Å; F285-L336 HydrophobicContact CZ-CD1 3.86Å; F285-L336 HydrophobicContact CZ-CD2 4.19Å; C320-L336 CarbonylContact C-O 3.6Å; C320-L336 WeakPolarHBondContact CA-O 3.47Å; F321-L336 HydrophobicContact CB-CB 4.22Å; F321-L336 HydrophobicContact CB-CD1 4.14Å; F321-L336 PolarHBondContact N-O 3.4Å; F321-L336 PolarHBondContact O-N 2.86Å; L336-I347 HydrophobicContact CB-CG2 3.83Å; L336-I347 HydrophobicContact CD2-CG2 3.73Å; L336-I347 HydrophobicContact CG-CG2 4.43Å; L336-H348 CarbonylContact C-O 3.57Å; L336-H348 WeakPolarHBondContact CA-O 3.42Å; L336-H348 WeakPolarHBondContact CB-O 3.2Å; L336-L349 HydrophobicContact CG-CD1 4.19Å |
| 337 | R | 93.2 | Very high | 87.8 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.6 | 172.9 | -172.7 | 171.3 | 169.7 | 158.6 | -2.4 | 109.7 | S318 V319 E339 I347 H348 L350 | S318-R337 PolarHBondContact OG-NE 2.79Å; V319-R337 CarbonylContact O-C 3.43Å; V319-R337 WeakPolarHBondContact O-CA 3.42Å; R337-E339 HydrophobicContact CG-CG 4.19Å; R337-E339 IonicContact CZ-OE1 3.08Å; R337-E339 IonicContact NE-OE1 3.41Å; R337-E339 PolarHBondContact NE-OE1 3.4Å; R337-E339 IonicContact NH2-OE1 2.8Å; R337-E339 PolarHBondContact NH2-OE1 3.41Å; R337-I347 WeakPolarHBondContact O-CA 3.04Å; R337-H348 PolarHBondContact N-O 3.01Å; R337-H348 PolarHBondContact O-N 3.27Å; R337-L350 HydrophobicContact CB-CD1 3.87Å; R337-L350 HydrophobicContact CB-CD2 3.9Å; R337-L350 HydrophobicContact CB-CG 3.81Å |
| 338 | G | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S318 V319 T346 | S318-G338 WeakPolarHBondContact CA-O 3.41Å; S318-G338 VanDerWaalsContact CB-O 3.31Å; S318-G338 WeakPolarHBondContact CB-O 3.44Å; V319-G338 PolarHBondContact N-O 2.94Å; V319-G338 PolarHBondContact O-N 2.83Å; G338-T346 VanDerWaalsContact CA-O 3.3Å; G338-T346 WeakPolarHBondContact CA-O 3.42Å |
| 339 | E | 90.5 | Very high | 89.2 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.3 | 173.4 | -60 | -168.4 | 147.8 | 0 | 0 | 109.9 | R337 W345 T346 | R337-E339 HydrophobicContact CG-CG 4.19Å; R337-E339 IonicContact CZ-OE1 3.08Å; R337-E339 IonicContact NE-OE1 3.41Å; R337-E339 PolarHBondContact NE-OE1 3.4Å; R337-E339 IonicContact NH2-OE1 2.8Å; R337-E339 PolarHBondContact NH2-OE1 3.41Å; E339-W345 CarbonylContact O-C 3.44Å; E339-W345 WeakPolarHBondContact O-CA 3.49Å; E339-T346 PolarHBondContact N-O 2.82Å; E339-T346 PolarHBondContact O-N 2.89Å |
| 340 | K | 87.8 | Confident | 90 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 99.5 | 176.4 | -163.3 | 178.3 | -164.5 | 168 | 0 | 109.3 | E257 R344 W345 | E257-K340 IonicContact OE1-NZ 2.66Å; E257-K340 PolarHBondContact OE1-NZ 3Å; E257-K340 IonicContact OE2-NZ 2.84Å; E257-K340 PolarHBondContact OE2-NZ 3.04Å; K340-R344 CarbonylContact C-O 3.59Å; K340-R344 WeakPolarHBondContact CA-O 3.24Å; K340-W345 HydrophobicContact CB-CD2 3.96Å; K340-W345 HydrophobicContact CB-CE3 4Å; K340-W345 HydrophobicContact CB-CH2 4.2Å; K340-W345 HydrophobicContact CB-CZ2 4.18Å; K340-W345 HydrophobicContact CB-CZ3 4.12Å; K340-W345 HydrophobicContact CD-CD2 4.35Å; K340-W345 HydrophobicContact CD-CZ2 3.93Å; K340-W345 HydrophobicContact CG-CD2 4.1Å; K340-W345 HydrophobicContact CG-CG 4.34Å; K340-W345 HydrophobicContact CG-CZ2 4.43Å |
| 341 | M | 84.7 | Confident | 90.6 | Very high | 127 Ų | 127 | 61.2 Ų | 61.2 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.7 | 175.6 | -64.3 | -172 | 75.8 | 0 | 0 | 109.9 | R343 R344 | M341-R343 VanDerWaalsContact C-N 3.26Å; M341-R343 PolarHBondContact O-N 2.83Å; M341-R344 PolarHBondContact N-O 2.85Å; M341-R344 PolarHBondContact O-N 2.82Å; M341-R344 VanDerWaalsContact O-O 3.08Å |
| 342 | N | 82.4 | Confident | 90.8 | Very high | 156 Ų | 156 | 62 Ų | 62 | 83% | 0.834 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.8 | 177.7 | -61.1 | -30.8 | 0 | 0 | 0 | 113.5 | R344 | N342-R344 PolarHBondContact O-N 2.84Å; N342-R344 VanDerWaalsContact O-N 3.14Å |
| 343 | R | 79.7 | Confident | 90.8 | Very high | 224 Ų | 224 | 61 Ų | 61 | 85% | 0.845 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 2.6 | -175.7 | -54.2 | 179.4 | 176.3 | 174 | -1.5 | 115.8 | M341 | M341-R343 VanDerWaalsContact C-N 3.26Å; M341-R343 PolarHBondContact O-N 2.83Å |
| 344 | R | 86.5 | Confident | 90.7 | Very high | 201 Ų | 201 | 66.9 Ų | 66.9 | 76% | 0.758 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135 | 174.3 | -65.1 | -174.5 | -174.7 | 172.9 | 1.8 | 109.9 | K340 M341 N342 | K340-R344 CarbonylContact C-O 3.59Å; K340-R344 WeakPolarHBondContact CA-O 3.24Å; M341-R344 PolarHBondContact N-O 2.85Å; M341-R344 PolarHBondContact O-N 2.82Å; M341-R344 VanDerWaalsContact O-O 3.08Å; N342-R344 PolarHBondContact O-N 2.84Å; N342-R344 VanDerWaalsContact O-N 3.14Å |
| 345 | W | 90.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.4 | 172.3 | -76.9 | 102.5 | 0 | 0 | 0 | 110 | V252 T259 L271 V281 V319 E339 K340 | V252-W345 HydrophobicContact CG1-CH2 4.02Å; V252-W345 HydrophobicContact CG1-CZ2 4.43Å; T259-W345 HydrophobicContact CG2-CZ2 4.18Å; L271-W345 HydrophobicContact CD1-CB 4.06Å; L271-W345 HydrophobicContact CD1-CD2 3.79Å; L271-W345 HydrophobicContact CD1-CE3 3.93Å; L271-W345 HydrophobicContact CD1-CG 3.88Å; V281-W345 HydrophobicContact CB-CB 4.24Å; V281-W345 HydrophobicContact CG2-CB 3.62Å; V281-W345 WeakPolarHBondContact CG2-O 3.13Å; V319-W345 HydrophobicContact CG2-CH2 4.11Å; V319-W345 HydrophobicContact CG2-CZ3 4.32Å; E339-W345 CarbonylContact O-C 3.44Å; E339-W345 WeakPolarHBondContact O-CA 3.49Å; K340-W345 HydrophobicContact CB-CD2 3.96Å; K340-W345 HydrophobicContact CB-CE3 4Å; K340-W345 HydrophobicContact CB-CH2 4.2Å; K340-W345 HydrophobicContact CB-CZ2 4.18Å; K340-W345 HydrophobicContact CB-CZ3 4.12Å; K340-W345 HydrophobicContact CD-CD2 4.35Å; K340-W345 HydrophobicContact CD-CZ2 3.93Å; K340-W345 HydrophobicContact CG-CD2 4.1Å; K340-W345 HydrophobicContact CG-CG 4.34Å; K340-W345 HydrophobicContact CG-CZ2 4.43Å |
| 346 | T | 92 | Very high | 90 | Very high | 57 Ų | 57 | 69.6 Ų | 69.6 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.1 | 162.2 | 57.7 | 0 | 0 | 0 | 0 | 108.2 | G338 E339 H348 | G338-T346 VanDerWaalsContact CA-O 3.3Å; G338-T346 WeakPolarHBondContact CA-O 3.42Å; E339-T346 PolarHBondContact N-O 2.82Å; E339-T346 PolarHBondContact O-N 2.89Å; T346-H348 PolarHBondContact OG1-NE2 3.49Å |
| 347 | I | 93.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127 | 179.4 | -55.6 | 176.9 | 0 | 0 | 0 | 107.6 | L269 L271 V281 F283 L336 R337 | L269-I347 HydrophobicContact CD2-CD1 3.51Å; L271-I347 HydrophobicContact CD1-CD1 3.58Å; L271-I347 HydrophobicContact CD1-CG1 4.06Å; L271-I347 HydrophobicContact CG-CD1 3.75Å; V281-I347 HydrophobicContact CG1-CD1 3.72Å; V281-I347 HydrophobicContact CG1-CG1 3.93Å; F283-I347 HydrophobicContact CB-CG2 4.15Å; F283-I347 HydrophobicContact CD2-CG2 4.25Å; F283-I347 HydrophobicContact CG-CG2 4.4Å; L336-I347 HydrophobicContact CB-CG2 3.83Å; L336-I347 HydrophobicContact CD2-CG2 3.73Å; L336-I347 HydrophobicContact CG-CG2 4.43Å; R337-I347 WeakPolarHBondContact O-CA 3.04Å |
| 348 | H | 91.5 | Very high | 89.1 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.3 | -179.3 | -59.3 | -74.4 | 0 | 0 | 0 | 109.9 | L336 R337 T346 L350 | L336-H348 CarbonylContact C-O 3.57Å; L336-H348 WeakPolarHBondContact CA-O 3.42Å; L336-H348 WeakPolarHBondContact CB-O 3.2Å; R337-H348 PolarHBondContact N-O 3.01Å; R337-H348 PolarHBondContact O-N 3.27Å; T346-H348 PolarHBondContact OG1-NE2 3.49Å; H348-L350 PolarHBondContact O-N 3.24Å |
| 349 | L | 93.1 | Very high | 88.6 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 120.8 | 169.2 | -179 | 66.7 | 0 | 0 | 0 | 108.7 | F283 Y334 L336 T351 | F283-L349 HydrophobicContact CE2-CB 4.01Å; F283-L349 HydrophobicContact CZ-CB 3.76Å; F283-L349 HydrophobicContact CZ-CD2 4.45Å; Y334-L349 HydrophobicContact CD1-CD1 4Å; L336-L349 HydrophobicContact CG-CD1 4.19Å; L349-T351 WeakPolarHBondContact CD1-O 3.37Å |
| 350 | L | 91.8 | Very high | 88.5 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -50.7 | 176.9 | -71.3 | -172.7 | 0 | 0 | 0 | 111 | V335 R337 H348 I389 | V335-L350 HydrophobicContact CG1-CD1 4.4Å; V335-L350 WeakPolarHBondContact O-CB 3.19Å; V335-L350 PolarHBondContact O-N 2.9Å; R337-L350 HydrophobicContact CB-CD1 3.87Å; R337-L350 HydrophobicContact CB-CD2 3.9Å; R337-L350 HydrophobicContact CB-CG 3.81Å; H348-L350 PolarHBondContact O-N 3.24Å; L350-I389 HydrophobicContact CD1-CG2 4.07Å |
| 351 | T | 93.1 | Very high | 88.1 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 16% | 0.16 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 168.9 | -178.6 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | V335 L349 F387 C393 | V335-T351 HydrophobicContact CB-CG2 4.06Å; V335-T351 HydrophobicContact CG2-CG2 4.26Å; V335-T351 PolarHBondContact N-O 3.47Å; V335-T351 PolarHBondContact O-N 3.5Å; L349-T351 WeakPolarHBondContact CD1-O 3.37Å; T351-F387 HydrophobicContact CG2-CE2 3.65Å; T351-F387 HydrophobicContact CG2-CZ 3.79Å; T351-C393 HydrophobicContact CG2-CB 4.02Å |
| 352 | N | 92.7 | Very high | 88.2 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156 | 169.3 | 69.4 | 90.6 | 0 | 0 | 0 | 109.8 | R332 F333 Y334 | R332-N352 VanDerWaalsContact CZ-OD1 3.27Å; R332-N352 PolarHBondContact NE-OD1 3.34Å; R332-N352 PolarHBondContact NH2-OD1 2.8Å; F333-N352 CarbonylContact O-C 3.59Å; F333-N352 WeakPolarHBondContact O-CA 3.36Å; F333-N352 WeakPolarHBondContact O-CB 3.47Å; Y334-N352 HydrophobicContact CD1-CB 3.68Å; Y334-N352 HydrophobicContact CE1-CB 3.93Å; Y334-N352 HydrophobicContact CG-CB 4.31Å |
| 353 | F | 92.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.1 | 177.3 | 51.8 | -95.2 | 0 | 0 | 0 | 111.6 | R332 F333 V335 F370 K385 F387 Q395 W398 | R332-F353 WeakPolarHBondContact CA-O 2.91Å; F333-F353 HydrophobicContact CB-CD2 3.92Å; F333-F353 HydrophobicContact CB-CE1 4.14Å; F333-F353 HydrophobicContact CB-CE2 3.49Å; F333-F353 VanDerWaalsContact CB-CE2 3.49Å; F333-F353 HydrophobicContact CB-CG 4.43Å; F333-F353 HydrophobicContact CB-CZ 3.6Å; F333-F353 AromaticContact CD2-CD2 3.87Å; F333-F353 HydrophobicContact CD2-CD2 3.87Å; F333-F353 AromaticContact CD2-CE2 3.38Å; F333-F353 HydrophobicContact CD2-CE2 3.38Å; F333-F353 HydrophobicContact CD2-CZ 4.23Å; F333-F353 HydrophobicContact CE2-CE2 4.3Å; F333-F353 HydrophobicContact CG-CD2 4.3Å; F333-F353 AromaticContact CG-CE2 3.65Å; F333-F353 HydrophobicContact CG-CE2 3.65Å; F333-F353 HydrophobicContact CG-CZ 4.04Å; F333-F353 PolarHBondContact N-O 3Å; F333-F353 PolarHBondContact O-N 3Å; V335-F353 HydrophobicContact CG2-CE1 3.9Å; F353-F370 HydrophobicContact CE2-CD1 4.14Å; F353-F370 HydrophobicContact CE2-CE1 4.05Å; F353-F370 AromaticContact CZ-CD1 3.93Å; F353-F370 HydrophobicContact CZ-CD1 3.93Å; F353-F370 HydrophobicContact CZ-CD2 4.38Å; F353-F370 AromaticContact CZ-CE1 3.99Å; F353-F370 HydrophobicContact CZ-CE1 3.99Å; F353-F370 HydrophobicContact CZ-CE2 4.45Å; F353-F370 HydrophobicContact CZ-CG 4.13Å; F353-F370 HydrophobicContact CZ-CZ 4.25Å; F353-K385 HydrophobicContact CD2-CD 4.21Å; F353-K385 HydrophobicContact CE1-CD 4.25Å; F353-K385 HydrophobicContact CE2-CD 3.85Å; F353-K385 HydrophobicContact CZ-CD 3.89Å; F353-F387 HydrophobicContact CE1-CD2 4.26Å; F353-F387 AromaticContact CE1-CE2 3.99Å; F353-F387 HydrophobicContact CE1-CE2 3.99Å; F353-Q395 VanDerWaalsContact CB-OE1 3.25Å; F353-Q395 VanDerWaalsContact CG-OE1 3.29Å; F353-W398 HydrophobicContact CD2-CZ2 4.08Å; F353-W398 HydrophobicContact CE2-CH2 4.1Å; F353-W398 AromaticContact CE2-CZ2 3.79Å; F353-W398 HydrophobicContact CE2-CZ2 3.79Å |
| 354 | E | 91.8 | Very high | 88.9 | Confident | 125 Ų | 125 | 61.7 Ų | 61.7 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.2 | 178.7 | -157.1 | 174.9 | 170.1 | 0 | 0 | 111 | W398 | E354-W398 PolarHBondContact O-NE1 3.02Å |
| 355 | A | 91.1 | Very high | 89 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 168.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y324 S331 F333 | Y324-A355 HydrophobicContact CD2-CB 4.26Å; Y324-A355 HydrophobicContact CE2-CB 3.58Å; S331-A355 WeakPolarHBondContact O-CB 3.31Å; S331-A355 PolarHBondContact O-N 3.3Å; F333-A355 HydrophobicContact CD2-CB 3.99Å; F333-A355 HydrophobicContact CE2-CB 3.65Å |
| 356 | F | 84.5 | Confident | 88.7 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -75 | 156.3 | 174.4 | -152.9 | -108 | 0 | 0 | 0 | 110.9 | Y358 W374 K383 | F356-Y358 AromaticContact CD1-CD2 3.39Å; F356-Y358 HydrophobicContact CD1-CD2 3.39Å; F356-Y358 AromaticContact CD1-CE2 3.73Å; F356-Y358 HydrophobicContact CD1-CE2 3.73Å; F356-Y358 AromaticContact CD1-CG 3.82Å; F356-Y358 HydrophobicContact CD1-CG 3.82Å; F356-Y358 HydrophobicContact CE1-CD1 4.46Å; F356-Y358 AromaticContact CE1-CD2 3.51Å; F356-Y358 HydrophobicContact CE1-CD2 3.51Å; F356-Y358 HydrophobicContact CE1-CE1 4.29Å; F356-Y358 AromaticContact CE1-CE2 3.3Å; F356-Y358 HydrophobicContact CE1-CE2 3.3Å; F356-Y358 HydrophobicContact CE1-CG 4.09Å; F356-Y358 AromaticContact CE1-CZ 3.71Å; F356-Y358 HydrophobicContact CZ-CE2 4.49Å; F356-Y358 PolarHBondContact O-N 3.49Å; F356-W374 HydrophobicContact CB-CD2 4.01Å; F356-W374 HydrophobicContact CB-CG 4.38Å; F356-W374 HydrophobicContact CB-CH2 4.5Å; F356-W374 HydrophobicContact CB-CZ2 3.92Å; F356-K383 HydrophobicContact CD2-CD 4.17Å; F356-K383 HydrophobicContact CE2-CD 4.39Å; F356-K383 HydrophobicContact CG-CD 4.33Å |
| 357 | E | 83.2 | Confident | 88.2 | Confident | 179 Ų | 179 | 54.9 Ų | 54.9 | 84% | 0.836 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -67 | 1.6 | -175.2 | -62.1 | -179.9 | 170.7 | 0 | 0 | 115.1 | ||
| 358 | Y | 85.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -100.4 | 166.1 | -177.6 | -64.8 | -23.3 | 0 | 0 | 0 | 111 | F356 L360 W374 A375 V381 | F356-Y358 AromaticContact CD1-CD2 3.39Å; F356-Y358 HydrophobicContact CD1-CD2 3.39Å; F356-Y358 AromaticContact CD1-CE2 3.73Å; F356-Y358 HydrophobicContact CD1-CE2 3.73Å; F356-Y358 AromaticContact CD1-CG 3.82Å; F356-Y358 HydrophobicContact CD1-CG 3.82Å; F356-Y358 HydrophobicContact CE1-CD1 4.46Å; F356-Y358 AromaticContact CE1-CD2 3.51Å; F356-Y358 HydrophobicContact CE1-CD2 3.51Å; F356-Y358 HydrophobicContact CE1-CE1 4.29Å; F356-Y358 AromaticContact CE1-CE2 3.3Å; F356-Y358 HydrophobicContact CE1-CE2 3.3Å; F356-Y358 HydrophobicContact CE1-CG 4.09Å; F356-Y358 AromaticContact CE1-CZ 3.71Å; F356-Y358 HydrophobicContact CZ-CE2 4.49Å; F356-Y358 PolarHBondContact O-N 3.49Å; Y358-L360 PolarHBondContact O-N 2.77Å; Y358-W374 VanDerWaalsContact CB-CB 3.49Å; Y358-W374 HydrophobicContact CD2-CB 4.23Å; Y358-W374 HydrophobicContact CG-CB 4.4Å; Y358-W374 VanDerWaalsContact O-CD1 3.26Å; Y358-A375 WeakPolarHBondContact CB-O 3.35Å; Y358-V381 HydrophobicContact CD2-CB 4.23Å; Y358-V381 HydrophobicContact CD2-CG2 4.11Å; Y358-V381 HydrophobicContact CE2-CB 4.3Å; Y358-V381 HydrophobicContact CE2-CG1 4.45Å; Y358-V381 HydrophobicContact CE2-CG2 3.84Å |
| 359 | D | 82.7 | Confident | 87.7 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.6 | 179.7 | -68.3 | -42.6 | 0 | 0 | 0 | 110.5 | I361 W374 A375 | D359-I361 PolarHBondContact O-N 2.71Å; D359-W374 CarbonylContact O-C 3.59Å; D359-W374 WeakPolarHBondContact O-CA 3.33Å; D359-A375 HydrophobicContact CB-CB 4.36Å; D359-A375 PolarHBondContact N-O 3.26Å; D359-A375 PolarHBondContact O-N 2.93Å |
| 360 | L | 87.4 | Confident | 87.6 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.8 | -178.2 | -172.7 | 73.7 | 0 | 0 | 0 | 111.5 | R309 Y324 F333 Y358 D362 F363 L373 W374 | R309-L360 PolarHBondContact NH2-O 2.87Å; Y324-L360 HydrophobicContact CD1-CB 4.26Å; Y324-L360 HydrophobicContact CD1-CD2 3.3Å; Y324-L360 HydrophobicContact CD1-CG 4.4Å; Y324-L360 HydrophobicContact CD2-CD2 3.59Å; Y324-L360 HydrophobicContact CE1-CB 3.68Å; Y324-L360 HydrophobicContact CE1-CD2 3.62Å; Y324-L360 HydrophobicContact CE1-CG 4.31Å; Y324-L360 HydrophobicContact CE2-CB 4.29Å; Y324-L360 HydrophobicContact CE2-CD2 3.9Å; Y324-L360 HydrophobicContact CG-CD2 3.27Å; F333-L360 HydrophobicContact CE1-CD2 3.81Å; F333-L360 HydrophobicContact CZ-CD1 3.81Å; F333-L360 HydrophobicContact CZ-CD2 3.63Å; F333-L360 HydrophobicContact CZ-CG 4.41Å; Y358-L360 PolarHBondContact O-N 2.77Å; L360-D362 WeakPolarHBondContact CD1-O 3.46Å; L360-F363 HydrophobicContact CD2-CD1 3.84Å; L360-F363 HydrophobicContact CD2-CE1 4.49Å; L360-L373 WeakPolarHBondContact CD1-O 3.24Å; L360-W374 HydrophobicContact CD1-CD2 4.24Å; L360-W374 HydrophobicContact CD1-CG 4.33Å; L360-W374 HydrophobicContact CD1-CZ2 4.09Å |
| 361 | I | 81 | Confident | 87.5 | Confident | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -35.6 | 175.3 | -55.8 | 178.2 | 0 | 0 | 0 | 111.9 | R309 D359 L373 A375 F380 | R309-I361 PolarHBondContact NH1-O 3.11Å; D359-I361 PolarHBondContact O-N 2.71Å; I361-L373 HydrophobicContact CB-CD2 3.65Å; I361-L373 HydrophobicContact CB-CG 3.82Å; I361-L373 HydrophobicContact CD1-CD2 4.1Å; I361-L373 HydrophobicContact CD1-CG 4.05Å; I361-L373 HydrophobicContact CG1-CD2 4.48Å; I361-L373 HydrophobicContact CG1-CG 4.38Å; I361-L373 HydrophobicContact CG2-CD2 3.57Å; I361-L373 HydrophobicContact CG2-CG 4.31Å; I361-L373 PolarHBondContact N-O 2.8Å; I361-A375 HydrophobicContact CD1-CB 3.71Å; I361-A375 HydrophobicContact CG1-CB 3.88Å; I361-F380 HydrophobicContact CD1-CD1 3.22Å; I361-F380 HydrophobicContact CD1-CE1 3.28Å |
| 362 | D | 85.1 | Confident | 87.3 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 171 | 168.4 | -156.2 | 11.2 | 0 | 0 | 0 | 111.9 | M15 K311 L360 L373 | M15-D362 HydrophobicContact CE-CB 3.66Å; K311-D362 WeakPolarHBondContact CE-OD1 3.28Å; K311-D362 IonicContact NZ-OD1 3.57Å; K311-D362 PolarHBondContact NZ-OD1 3.36Å; K311-D362 IonicContact NZ-OD2 3Å; K311-D362 PolarHBondContact NZ-OD2 2.76Å; L360-D362 WeakPolarHBondContact CD1-O 3.46Å; D362-L373 PolarHBondContact N-O 2.8Å; D362-L373 PolarHBondContact O-N 2.88Å |
| 363 | F | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 156.8 | 171.3 | 64.6 | -87.9 | 0 | 0 | 0 | 111.7 | R309 K311 F313 V322 F333 L360 F370 F371 | R309-F363 HydrophobicContact CB-CE1 3.84Å; K311-F363 HydrophobicContact CB-CE2 3.79Å; K311-F363 HydrophobicContact CB-CZ 4.01Å; K311-F363 HydrophobicContact CD-CD2 4.26Å; K311-F363 HydrophobicContact CD-CE2 3.88Å; K311-F363 HydrophobicContact CD-CZ 4.12Å; K311-F363 WeakPolarHBondContact CD-O 3.14Å; K311-F363 WeakPolarHBondContact CE-O 3.48Å; K311-F363 HydrophobicContact CG-CE1 4.5Å; K311-F363 HydrophobicContact CG-CE2 3.84Å; K311-F363 HydrophobicContact CG-CZ 3.75Å; K311-F363 PolarHBondContact NZ-O 2.94Å; F313-F363 HydrophobicContact CE2-CE2 4.48Å; V322-F363 HydrophobicContact CB-CE2 3.74Å; V322-F363 HydrophobicContact CB-CZ 4.38Å; V322-F363 HydrophobicContact CG1-CD2 4.11Å; V322-F363 HydrophobicContact CG1-CE2 3.6Å; V322-F363 HydrophobicContact CG1-CZ 4.16Å; V322-F363 WeakPolarHBondContact O-CZ 3.29Å; F333-F363 HydrophobicContact CE1-CB 3.95Å; F333-F363 AromaticContact CE1-CD1 3.73Å; F333-F363 HydrophobicContact CE1-CD1 3.73Å; F333-F363 HydrophobicContact CE1-CD2 4.33Å; F333-F363 HydrophobicContact CE1-CE1 4.24Å; F333-F363 AromaticContact CE1-CG 3.74Å; F333-F363 HydrophobicContact CE1-CG 3.74Å; F333-F363 HydrophobicContact CZ-CB 4.29Å; L360-F363 HydrophobicContact CD2-CD1 3.84Å; L360-F363 HydrophobicContact CD2-CE1 4.49Å; F363-F370 HydrophobicContact CB-CE1 4.16Å; F363-F370 HydrophobicContact CB-CZ 3.74Å; F363-F370 AromaticContact CD2-CE2 3.84Å; F363-F370 HydrophobicContact CD2-CE2 3.84Å; F363-F370 AromaticContact CD2-CZ 3.68Å; F363-F370 HydrophobicContact CD2-CZ 3.68Å; F363-F370 AromaticContact CG-CZ 3.93Å; F363-F370 HydrophobicContact CG-CZ 3.93Å; F363-F371 CarbonylContact C-O 3.52Å; F363-F371 WeakPolarHBondContact CA-O 3.29Å; F363-F371 VanDerWaalsContact CB-O 3.29Å; F363-F371 WeakPolarHBondContact CB-O 3.49Å |
| 364 | H | 88.8 | Confident | 86.6 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 142.9 | 177.8 | -161.4 | 75.1 | 0 | 0 | 0 | 111 | L11 F313 F371 | L11-H364 HydrophobicContact CD2-CB 4.38Å; F313-H364 AromaticContact CE1-ND1 3.93Å; H364-F371 PolarHBondContact N-O 2.79Å; H364-F371 PolarHBondContact O-N 2.76Å |
| 365 | L | 87.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.2 | 175.7 | 177.3 | 58.6 | 0 | 0 | 0 | 108 | F313 V322 F370 F387 I389 | F313-L365 HydrophobicContact CD1-CB 3.94Å; F313-L365 WeakPolarHBondContact CD1-O 2.89Å; F313-L365 HydrophobicContact CD2-CB 3.87Å; F313-L365 HydrophobicContact CD2-CD2 3.9Å; F313-L365 HydrophobicContact CD2-CG 4.44Å; F313-L365 HydrophobicContact CE1-CB 3.75Å; F313-L365 WeakPolarHBondContact CE1-O 3.27Å; F313-L365 HydrophobicContact CE2-CB 3.69Å; F313-L365 HydrophobicContact CE2-CD2 4.33Å; F313-L365 HydrophobicContact CG-CB 4Å; F313-L365 HydrophobicContact CG-CD2 4.23Å; F313-L365 HydrophobicContact CG-CG 4.46Å; F313-L365 HydrophobicContact CZ-CB 3.63Å; V322-L365 HydrophobicContact CG2-CD2 4.23Å; L365-F370 HydrophobicContact CB-CD2 4.2Å; L365-F370 HydrophobicContact CD1-CB 4.28Å; L365-F370 HydrophobicContact CD1-CD2 4.25Å; L365-F387 HydrophobicContact CD1-CD1 3.82Å; L365-I389 HydrophobicContact CD1-CD1 4.35Å; L365-I389 HydrophobicContact CD2-CD1 3.47Å; L365-I389 VanDerWaalsContact CD2-CD1 3.47Å; L365-I389 HydrophobicContact CD2-CG1 4.17Å; L365-I389 HydrophobicContact CG-CD1 4.08Å |
| 366 | V | 83.2 | Confident | 85.4 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.2 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | I7 L11 S368 K369 F371 | I7-V366 HydrophobicContact CD1-CG2 4.1Å; I7-V366 HydrophobicContact CG2-CG1 3.97Å; I7-V366 HydrophobicContact CG2-CG2 4.3Å; L11-V366 HydrophobicContact CD1-CG1 4.35Å; V366-S368 PolarHBondContact O-N 3.06Å; V366-K369 PolarHBondContact N-O 3.25Å; V366-K369 PolarHBondContact O-N 2.84Å; V366-F371 HydrophobicContact CG1-CD2 3.9Å; V366-F371 HydrophobicContact CG1-CE2 3.51Å |
| 367 | E | 81.5 | Confident | 85.1 | Confident | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | -111.2 | -174.6 | -59 | 175.7 | -173 | 0 | 0 | 111.8 | L4 | L4-E367 WeakPolarHBondContact CD1-OE2 3.47Å; L4-E367 WeakPolarHBondContact CD2-OE2 3.37Å; L4-E367 WeakPolarHBondContact CG-OE2 3.26Å |
| 368 | S | 86.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 43% | 0.427 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 23.5 | 179.5 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | V366 N386 F387 | V366-S368 PolarHBondContact O-N 3.06Å; S368-N386 CarbonylContact O-C 3.52Å; S368-N386 WeakPolarHBondContact O-CA 3.18Å; S368-F387 CarbonylContact C-O 3.55Å; S368-F387 WeakPolarHBondContact CA-O 3.38Å; S368-F387 PolarHBondContact O-N 3.29Å; S368-F387 VanDerWaalsContact O-O 3.14Å |
| 369 | K | 88.7 | Confident | 83.9 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.6 | -178.3 | -66.9 | -174 | -178.9 | -177.7 | 0 | 111.3 | L4 V366 F371 Y384 K385 | L4-K369 HydrophobicContact CD2-CD 4.24Å; V366-K369 PolarHBondContact N-O 3.25Å; V366-K369 PolarHBondContact O-N 2.84Å; K369-F371 HydrophobicContact CB-CD2 4.18Å; K369-F371 HydrophobicContact CB-CE2 3.48Å; K369-F371 VanDerWaalsContact CB-CE2 3.48Å; K369-F371 HydrophobicContact CB-CZ 4.08Å; K369-F371 HydrophobicContact CD-CE2 4.22Å; K369-F371 HydrophobicContact CD-CZ 4.01Å; K369-Y384 HydrophobicContact CD-CD2 4.23Å; K369-Y384 HydrophobicContact CD-CE2 4.49Å; K369-Y384 HydrophobicContact CG-CD2 4.45Å; K369-K385 WeakPolarHBondContact CA-O 3.49Å |
| 370 | F | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.8 | 172.1 | -173.7 | -86.9 | 0 | 0 | 0 | 109.2 | V322 F333 F353 F363 L365 Y384 K385 F387 W398 | V322-F370 HydrophobicContact CG1-CE2 3.7Å; V322-F370 HydrophobicContact CG1-CZ 4.06Å; V322-F370 HydrophobicContact CG2-CE2 4.33Å; F333-F370 HydrophobicContact CD1-CE1 4.08Å; F333-F370 AromaticContact CD1-CZ 3.53Å; F333-F370 HydrophobicContact CD1-CZ 3.53Å; F333-F370 HydrophobicContact CD2-CE1 4.24Å; F333-F370 HydrophobicContact CD2-CZ 4.47Å; F333-F370 AromaticContact CE1-CE1 3.93Å; F333-F370 HydrophobicContact CE1-CE1 3.93Å; F333-F370 AromaticContact CE1-CZ 3.55Å; F333-F370 HydrophobicContact CE1-CZ 3.55Å; F333-F370 HydrophobicContact CE2-CE1 4.09Å; F333-F370 HydrophobicContact CE2-CZ 4.48Å; F333-F370 HydrophobicContact CG-CE1 4.21Å; F333-F370 AromaticContact CG-CZ 3.99Å; F333-F370 HydrophobicContact CG-CZ 3.99Å; F333-F370 AromaticContact CZ-CE1 3.92Å; F333-F370 HydrophobicContact CZ-CE1 3.92Å; F333-F370 HydrophobicContact CZ-CZ 4.04Å; F353-F370 HydrophobicContact CE2-CD1 4.14Å; F353-F370 HydrophobicContact CE2-CE1 4.05Å; F353-F370 AromaticContact CZ-CD1 3.93Å; F353-F370 HydrophobicContact CZ-CD1 3.93Å; F353-F370 HydrophobicContact CZ-CD2 4.38Å; F353-F370 AromaticContact CZ-CE1 3.99Å; F353-F370 HydrophobicContact CZ-CE1 3.99Å; F353-F370 HydrophobicContact CZ-CE2 4.45Å; F353-F370 HydrophobicContact CZ-CG 4.13Å; F353-F370 HydrophobicContact CZ-CZ 4.25Å; F363-F370 HydrophobicContact CB-CE1 4.16Å; F363-F370 HydrophobicContact CB-CZ 3.74Å; F363-F370 AromaticContact CD2-CE2 3.84Å; F363-F370 HydrophobicContact CD2-CE2 3.84Å; F363-F370 AromaticContact CD2-CZ 3.68Å; F363-F370 HydrophobicContact CD2-CZ 3.68Å; F363-F370 AromaticContact CG-CZ 3.93Å; F363-F370 HydrophobicContact CG-CZ 3.93Å; L365-F370 HydrophobicContact CB-CD2 4.2Å; L365-F370 HydrophobicContact CD1-CB 4.28Å; L365-F370 HydrophobicContact CD1-CD2 4.25Å; F370-Y384 CarbonylContact O-C 3.44Å; F370-Y384 WeakPolarHBondContact O-CA 3.3Å; F370-K385 HydrophobicContact CB-CD 4.41Å; F370-K385 HydrophobicContact CB-CG 3.81Å; F370-K385 HydrophobicContact CD1-CG 4.32Å; F370-K385 HydrophobicContact CG-CG 4.47Å; F370-K385 PolarHBondContact N-O 2.82Å; F370-K385 PolarHBondContact O-N 3.49Å; F370-F387 HydrophobicContact CB-CB 3.95Å; F370-F387 HydrophobicContact CB-CG 4.37Å; F370-W398 AromaticContact CD1-CH2 3.63Å; F370-W398 HydrophobicContact CD1-CH2 3.63Å; F370-W398 HydrophobicContact CD1-CZ3 4.05Å; F370-W398 AromaticContact CE1-CH2 3.76Å; F370-W398 HydrophobicContact CE1-CH2 3.76Å |
| 371 | F | 90.6 | Very high | 83.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 141.6 | 177.8 | -66.4 | -97.1 | 0 | 0 | 0 | 110 | L11 F363 H364 V366 K369 K383 Y384 I401 | L11-F371 HydrophobicContact CD1-CB 4.43Å; L11-F371 HydrophobicContact CD1-CD1 4.15Å; L11-F371 HydrophobicContact CD1-CD2 3.66Å; L11-F371 HydrophobicContact CD1-CE1 4.31Å; L11-F371 HydrophobicContact CD1-CE2 3.84Å; L11-F371 HydrophobicContact CD1-CG 3.82Å; L11-F371 HydrophobicContact CD1-CZ 4.17Å; F363-F371 CarbonylContact C-O 3.52Å; F363-F371 WeakPolarHBondContact CA-O 3.29Å; F363-F371 VanDerWaalsContact CB-O 3.29Å; F363-F371 WeakPolarHBondContact CB-O 3.49Å; H364-F371 PolarHBondContact N-O 2.79Å; H364-F371 PolarHBondContact O-N 2.76Å; V366-F371 HydrophobicContact CG1-CD2 3.9Å; V366-F371 HydrophobicContact CG1-CE2 3.51Å; K369-F371 HydrophobicContact CB-CD2 4.18Å; K369-F371 HydrophobicContact CB-CE2 3.48Å; K369-F371 VanDerWaalsContact CB-CE2 3.48Å; K369-F371 HydrophobicContact CB-CZ 4.08Å; K369-F371 HydrophobicContact CD-CE2 4.22Å; K369-F371 HydrophobicContact CD-CZ 4.01Å; F371-K383 WeakPolarHBondContact CA-O 3.28Å; F371-Y384 HydrophobicContact CE1-CG 4.24Å; F371-I401 HydrophobicContact CD1-CD1 4.04Å; F371-I401 HydrophobicContact CE1-CD1 3.87Å |
| 372 | G | 88.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.8 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | W374 V382 K383 | G372-W374 VanDerWaalsContact C-CE3 3.46Å; G372-W374 VanDerWaalsContact CA-CZ3 3.45Å; G372-W374 WeakPolarHBondContact O-CZ3 3.37Å; G372-V382 WeakPolarHBondContact O-CA 3.37Å; G372-K383 PolarHBondContact N-O 2.9Å; G372-K383 PolarHBondContact O-N 3.3Å |
| 373 | L | 84.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.1 | 171 | 168.3 | 71.1 | 0 | 0 | 0 | 107.9 | M15 L360 I361 D362 F380 V381 V382 | M15-L373 HydrophobicContact CB-CB 4.48Å; M15-L373 HydrophobicContact CB-CD1 3.93Å; M15-L373 HydrophobicContact CB-CD2 3.65Å; M15-L373 HydrophobicContact CB-CG 4.2Å; M15-L373 HydrophobicContact CE-CB 3.37Å; M15-L373 HydrophobicContact CE-CD2 3.83Å; M15-L373 HydrophobicContact CE-CG 4.23Å; M15-L373 HydrophobicContact CG-CB 4.32Å; M15-L373 HydrophobicContact CG-CD2 3.79Å; M15-L373 HydrophobicContact CG-CG 4.45Å; M15-L373 HydrophobicContact SD-CB 3.51Å; M15-L373 VanDerWaalsContact SD-CB 3.51Å; M15-L373 HydrophobicContact SD-CD2 4.09Å; M15-L373 HydrophobicContact SD-CG 4.24Å; L360-L373 WeakPolarHBondContact CD1-O 3.24Å; I361-L373 HydrophobicContact CB-CD2 3.65Å; I361-L373 HydrophobicContact CB-CG 3.82Å; I361-L373 HydrophobicContact CD1-CD2 4.1Å; I361-L373 HydrophobicContact CD1-CG 4.05Å; I361-L373 HydrophobicContact CG1-CD2 4.48Å; I361-L373 HydrophobicContact CG1-CG 4.38Å; I361-L373 HydrophobicContact CG2-CD2 3.57Å; I361-L373 HydrophobicContact CG2-CG 4.31Å; I361-L373 PolarHBondContact N-O 2.8Å; D362-L373 PolarHBondContact N-O 2.8Å; D362-L373 PolarHBondContact O-N 2.88Å; L373-F380 HydrophobicContact CD1-CB 3.98Å; L373-V381 WeakPolarHBondContact CA-O 3.27Å; L373-V382 HydrophobicContact CD1-CG2 3.66Å |
| 374 | W | 84.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.6 | 179 | -60.5 | -94.7 | 0 | 0 | 0 | 111.9 | F333 F356 Y358 D359 L360 G372 F380 V381 K383 W398 | F333-W374 HydrophobicContact CE2-CZ2 4.33Å; F356-W374 HydrophobicContact CB-CD2 4.01Å; F356-W374 HydrophobicContact CB-CG 4.38Å; F356-W374 HydrophobicContact CB-CH2 4.5Å; F356-W374 HydrophobicContact CB-CZ2 3.92Å; Y358-W374 VanDerWaalsContact CB-CB 3.49Å; Y358-W374 HydrophobicContact CD2-CB 4.23Å; Y358-W374 HydrophobicContact CG-CB 4.4Å; Y358-W374 VanDerWaalsContact O-CD1 3.26Å; D359-W374 CarbonylContact O-C 3.59Å; D359-W374 WeakPolarHBondContact O-CA 3.33Å; L360-W374 HydrophobicContact CD1-CD2 4.24Å; L360-W374 HydrophobicContact CD1-CG 4.33Å; L360-W374 HydrophobicContact CD1-CZ2 4.09Å; G372-W374 VanDerWaalsContact C-CE3 3.46Å; G372-W374 VanDerWaalsContact CA-CZ3 3.45Å; G372-W374 WeakPolarHBondContact O-CZ3 3.37Å; W374-F380 WeakPolarHBondContact O-CA 3.46Å; W374-V381 PolarHBondContact N-O 3.25Å; W374-V381 PolarHBondContact O-N 3.27Å; W374-K383 HydrophobicContact CE3-CB 4.49Å; W374-K383 HydrophobicContact CE3-CG 4.27Å; W374-K383 HydrophobicContact CH2-CB 4.16Å; W374-K383 HydrophobicContact CZ3-CB 3.56Å; W374-K383 HydrophobicContact CZ3-CD 4.39Å; W374-K383 HydrophobicContact CZ3-CG 3.78Å; W374-W398 HydrophobicContact CH2-CD2 4.35Å; W374-W398 AromaticContact CH2-CE3 3.88Å; W374-W398 HydrophobicContact CH2-CE3 3.88Å; W374-W398 AromaticContact CH2-CH2 3.48Å; W374-W398 HydrophobicContact CH2-CH2 3.48Å; W374-W398 VanDerWaalsContact CH2-CH2 3.48Å; W374-W398 AromaticContact CH2-CZ2 3.99Å; W374-W398 HydrophobicContact CH2-CZ2 3.99Å; W374-W398 AromaticContact CH2-CZ3 3.45Å; W374-W398 HydrophobicContact CH2-CZ3 3.45Å; W374-W398 VanDerWaalsContact CH2-CZ3 3.45Å; W374-W398 AromaticContact CZ2-CH2 3.79Å; W374-W398 HydrophobicContact CZ2-CH2 3.79Å; W374-W398 AromaticContact CZ2-CZ2 3.96Å; W374-W398 HydrophobicContact CZ2-CZ2 3.96Å; W374-W398 HydrophobicContact CZ2-CZ3 4.23Å; W374-W398 HydrophobicContact CZ3-CZ3 4.39Å |
| 375 | A | 78.2 | Confident | 83.4 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | Y358 D359 I361 F380 | Y358-A375 WeakPolarHBondContact CB-O 3.35Å; D359-A375 HydrophobicContact CB-CB 4.36Å; D359-A375 PolarHBondContact N-O 3.26Å; D359-A375 PolarHBondContact O-N 2.93Å; I361-A375 HydrophobicContact CD1-CB 3.71Å; I361-A375 HydrophobicContact CG1-CB 3.88Å; A375-F380 HydrophobicContact CB-CE1 4.39Å |
| 376 | S | 80.8 | Confident | 83.5 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 168.9 | 168.1 | 82.2 | 0 | 0 | 0 | 0 | 109.9 | K378 G379 | S376-K378 PolarHBondContact O-N 3.32Å; S376-K378 VanDerWaalsContact O-N 3.12Å; S376-K378 PolarHBondContact OG-N 2.96Å; S376-K378 VanDerWaalsContact OG-N 3.12Å; S376-G379 WeakPolarHBondContact CA-O 3.45Å; S376-G379 WeakPolarHBondContact CB-O 3.11Å; S376-G379 PolarHBondContact N-O 2.88Å; S376-G379 PolarHBondContact O-N 3.29Å; S376-G379 VanDerWaalsContact O-N 3.1Å; S376-G379 PolarHBondContact OG-N 3.33Å; S376-G379 PolarHBondContact OG-O 2.97Å |
| 377 | R | 78.1 | Confident | 83.8 | Confident | 262 Ų | 262 | 48.2 Ų | 48.2 | 99% | 0.989 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.9 | 172.1 | -64.6 | -174.5 | -177.8 | -177.1 | 1 | 113.7 | ||
| 378 | K | 74.8 | Confident | 84.1 | Confident | 202 Ų | 202 | 44 Ų | 44 | 88% | 0.878 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.5 | 179.8 | -63 | -173.7 | 177.1 | -175.1 | 0 | 113.1 | S376 | S376-K378 PolarHBondContact O-N 3.32Å; S376-K378 VanDerWaalsContact O-N 3.12Å; S376-K378 PolarHBondContact OG-N 2.96Å; S376-K378 VanDerWaalsContact OG-N 3.12Å |
| 379 | G | 68.4 | Low | 83.9 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.3 | -159.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S376 | S376-G379 WeakPolarHBondContact CA-O 3.45Å; S376-G379 WeakPolarHBondContact CB-O 3.11Å; S376-G379 PolarHBondContact N-O 2.88Å; S376-G379 PolarHBondContact O-N 3.29Å; S376-G379 VanDerWaalsContact O-N 3.1Å; S376-G379 PolarHBondContact OG-N 3.33Å; S376-G379 PolarHBondContact OG-O 2.97Å |
| 380 | F | 73.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 43.3 Ų | 43.3 | 23% | 0.232 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.6 | -169.3 | -59.2 | -65.3 | 0 | 0 | 0 | 112.8 | Q16 C19 I361 L373 W374 A375 | Q16-F380 HydrophobicContact CG-CB 4.42Å; C19-F380 HydrophobicContact CB-CD1 3.9Å; C19-F380 HydrophobicContact CB-CD2 3.71Å; C19-F380 HydrophobicContact CB-CE1 3.43Å; C19-F380 VanDerWaalsContact CB-CE1 3.43Å; C19-F380 HydrophobicContact CB-CE2 3.22Å; C19-F380 HydrophobicContact CB-CG 4.04Å; C19-F380 HydrophobicContact CB-CZ 3.1Å; I361-F380 HydrophobicContact CD1-CD1 3.22Å; I361-F380 HydrophobicContact CD1-CE1 3.28Å; L373-F380 HydrophobicContact CD1-CB 3.98Å; W374-F380 WeakPolarHBondContact O-CA 3.46Å; A375-F380 HydrophobicContact CB-CE1 4.39Å |
| 381 | V | 78.4 | Confident | 82.7 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 109 | Y358 L373 W374 K383 | Y358-V381 HydrophobicContact CD2-CB 4.23Å; Y358-V381 HydrophobicContact CD2-CG2 4.11Å; Y358-V381 HydrophobicContact CE2-CB 4.3Å; Y358-V381 HydrophobicContact CE2-CG1 4.45Å; Y358-V381 HydrophobicContact CE2-CG2 3.84Å; L373-V381 WeakPolarHBondContact CA-O 3.27Å; W374-V381 PolarHBondContact N-O 3.25Å; W374-V381 PolarHBondContact O-N 3.27Å; V381-K383 HydrophobicContact CG1-CD 4.42Å; V381-K383 HydrophobicContact CG1-CG 3.95Å |
| 382 | V | 81.3 | Confident | 82.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.1 | 173 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | A12 M15 G372 L373 I401 L404 | A12-V382 HydrophobicContact CB-CG2 4.48Å; M15-V382 HydrophobicContact CB-CG2 4.3Å; G372-V382 WeakPolarHBondContact O-CA 3.37Å; L373-V382 HydrophobicContact CD1-CG2 3.66Å; V382-I401 HydrophobicContact CB-CD1 4.1Å; V382-I401 HydrophobicContact CG1-CD1 3.46Å; V382-I401 VanDerWaalsContact CG1-CD1 3.46Å; V382-I401 HydrophobicContact CG1-CG1 4.31Å; V382-I401 PolarHBondContact O-N 2.96Å; V382-L404 HydrophobicContact CG2-CD2 4.08Å |
| 383 | K | 87.9 | Confident | 82 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 155 | 174.4 | -47 | -169.2 | -179.9 | -155 | 0 | 110 | F356 F371 G372 W374 V381 W398 I399 N400 | F356-K383 HydrophobicContact CD2-CD 4.17Å; F356-K383 HydrophobicContact CE2-CD 4.39Å; F356-K383 HydrophobicContact CG-CD 4.33Å; F371-K383 WeakPolarHBondContact CA-O 3.28Å; G372-K383 PolarHBondContact N-O 2.9Å; G372-K383 PolarHBondContact O-N 3.3Å; W374-K383 HydrophobicContact CE3-CB 4.49Å; W374-K383 HydrophobicContact CE3-CG 4.27Å; W374-K383 HydrophobicContact CH2-CB 4.16Å; W374-K383 HydrophobicContact CZ3-CB 3.56Å; W374-K383 HydrophobicContact CZ3-CD 4.39Å; W374-K383 HydrophobicContact CZ3-CG 3.78Å; V381-K383 HydrophobicContact CG1-CD 4.42Å; V381-K383 HydrophobicContact CG1-CG 3.95Å; K383-W398 HydrophobicContact CB-CE3 3.87Å; K383-W398 HydrophobicContact CD-CB 4.11Å; K383-I399 VanDerWaalsContact CA-O 3.3Å; K383-I399 WeakPolarHBondContact CA-O 3.27Å; K383-I399 WeakPolarHBondContact CB-O 3.33Å; K383-N400 VanDerWaalsContact CD-OD1 3.28Å; K383-N400 WeakPolarHBondContact CD-OD1 3.43Å; K383-N400 WeakPolarHBondContact CE-OD1 3.31Å; K383-N400 PolarHBondContact NZ-OD1 3.27Å |
| 384 | Y | 89.8 | Confident | 82.1 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.1 | 171 | 75 | -81.6 | 0 | 0 | 0 | 111 | K369 F370 F371 I399 I401 | K369-Y384 HydrophobicContact CD-CD2 4.23Å; K369-Y384 HydrophobicContact CD-CE2 4.49Å; K369-Y384 HydrophobicContact CG-CD2 4.45Å; F370-Y384 CarbonylContact O-C 3.44Å; F370-Y384 WeakPolarHBondContact O-CA 3.3Å; F371-Y384 HydrophobicContact CE1-CG 4.24Å; Y384-I399 HydrophobicContact CD1-CB 4.19Å; Y384-I399 HydrophobicContact CD1-CG2 4.43Å; Y384-I399 HydrophobicContact CE1-CB 3.8Å; Y384-I399 HydrophobicContact CE1-CG2 3.63Å; Y384-I399 HydrophobicContact CE2-CB 4.29Å; Y384-I399 HydrophobicContact CE2-CD1 3.81Å; Y384-I399 PolarHBondContact N-O 3.17Å; Y384-I399 PolarHBondContact O-N 2.72Å; Y384-I401 HydrophobicContact CD1-CD1 4.34Å; Y384-I401 HydrophobicContact CD1-CG1 3.72Å; Y384-I401 HydrophobicContact CE1-CG1 4.25Å |
| 385 | K | 92.1 | Very high | 82.3 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.9 | 163.6 | 52.6 | 170.5 | 42.6 | -175.9 | 0 | 108.9 | F353 K369 F370 F387 S396 W398 | F353-K385 HydrophobicContact CD2-CD 4.21Å; F353-K385 HydrophobicContact CE1-CD 4.25Å; F353-K385 HydrophobicContact CE2-CD 3.85Å; F353-K385 HydrophobicContact CZ-CD 3.89Å; K369-K385 WeakPolarHBondContact CA-O 3.49Å; F370-K385 HydrophobicContact CB-CD 4.41Å; F370-K385 HydrophobicContact CB-CG 3.81Å; F370-K385 HydrophobicContact CD1-CG 4.32Å; F370-K385 HydrophobicContact CG-CG 4.47Å; F370-K385 PolarHBondContact N-O 2.82Å; F370-K385 PolarHBondContact O-N 3.49Å; K385-F387 PolarHBondContact O-N 3.05Å; K385-S396 WeakPolarHBondContact CA-OG 3.47Å; K385-S396 WeakPolarHBondContact CE-O 3.4Å; K385-W398 HydrophobicContact CB-CE3 4.33Å; K385-W398 HydrophobicContact CD-CH2 4.43Å; K385-W398 HydrophobicContact CD-CZ3 4.5Å; K385-W398 HydrophobicContact CG-CE3 4.26Å; K385-W398 HydrophobicContact CG-CH2 4.37Å; K385-W398 HydrophobicContact CG-CZ3 4Å |
| 386 | N | 91.2 | Very high | 82.9 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.4 | 165.3 | -60 | -50.4 | 0 | 0 | 0 | 106.7 | S368 Q395 S396 | S368-N386 CarbonylContact O-C 3.52Å; S368-N386 WeakPolarHBondContact O-CA 3.18Å; N386-Q395 CarbonylContact O-C 3.52Å; N386-Q395 VanDerWaalsContact O-CA 3.29Å; N386-Q395 WeakPolarHBondContact O-CA 3.39Å; N386-S396 PolarHBondContact N-OG 2.91Å; N386-S396 PolarHBondContact O-N 3.37Å |
| 387 | F | 89.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 114.5 | -171.5 | -176.2 | -102.9 | 0 | 0 | 0 | 109 | V335 T351 F353 L365 S368 F370 K385 I389 Q395 | V335-F387 HydrophobicContact CB-CZ 4Å; V335-F387 HydrophobicContact CG1-CE1 3.99Å; V335-F387 HydrophobicContact CG1-CZ 3.79Å; V335-F387 HydrophobicContact CG2-CE1 4.25Å; V335-F387 HydrophobicContact CG2-CE2 4.28Å; V335-F387 HydrophobicContact CG2-CZ 3.68Å; T351-F387 HydrophobicContact CG2-CE2 3.65Å; T351-F387 HydrophobicContact CG2-CZ 3.79Å; F353-F387 HydrophobicContact CE1-CD2 4.26Å; F353-F387 AromaticContact CE1-CE2 3.99Å; F353-F387 HydrophobicContact CE1-CE2 3.99Å; L365-F387 HydrophobicContact CD1-CD1 3.82Å; S368-F387 CarbonylContact C-O 3.55Å; S368-F387 WeakPolarHBondContact CA-O 3.38Å; S368-F387 PolarHBondContact O-N 3.29Å; S368-F387 VanDerWaalsContact O-O 3.14Å; F370-F387 HydrophobicContact CB-CB 3.95Å; F370-F387 HydrophobicContact CB-CG 4.37Å; K385-F387 PolarHBondContact O-N 3.05Å; F387-I389 HydrophobicContact CD1-CG1 4.02Å; F387-I389 HydrophobicContact CE1-CG1 3.83Å; F387-Q395 HydrophobicContact CD2-CB 4.09Å |
| 388 | S | 87.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -95.9 | 129.2 | 174.6 | 71.9 | 0 | 0 | 0 | 0 | 111 | D390 C393 R394 | S388-D390 WeakPolarHBondContact CB-OD2 3.25Å; S388-D390 PolarHBondContact O-N 2.97Å; S388-D390 PolarHBondContact OG-OD1 3.04Å; S388-D390 PolarHBondContact OG-OD2 2.86Å; S388-C393 WeakPolarHBondContact O-CA 3.21Å; S388-R394 PolarHBondContact N-O 2.93Å; S388-R394 PolarHBondContact OG-N 3.37Å | ||
| 389 | I | 82 | Confident | 84.8 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | trans | -90.7 | 47.1 | 173.5 | -39.5 | 168.9 | 0 | 0 | 0 | 109.1 | L315 C320 L350 L365 F387 | L315-I389 HydrophobicContact CD1-CG2 3.89Å; L315-I389 HydrophobicContact CD2-CD1 3.73Å; L315-I389 HydrophobicContact CD2-CG2 4.41Å; C320-I389 HydrophobicContact CB-CD1 4.35Å; C320-I389 HydrophobicContact CB-CG2 4.44Å; L350-I389 HydrophobicContact CD1-CG2 4.07Å; L365-I389 HydrophobicContact CD1-CD1 4.35Å; L365-I389 HydrophobicContact CD2-CD1 3.47Å; L365-I389 VanDerWaalsContact CD2-CD1 3.47Å; L365-I389 HydrophobicContact CD2-CG1 4.17Å; L365-I389 HydrophobicContact CG-CD1 4.08Å; F387-I389 HydrophobicContact CD1-CG1 4.02Å; F387-I389 HydrophobicContact CE1-CG1 3.83Å | ||
| 390 | D | 81 | Confident | 85.5 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -106.5 | 169.7 | 173.5 | 68.3 | 45.5 | 0 | 0 | 0 | 109.2 | S388 T392 C393 | S388-D390 WeakPolarHBondContact CB-OD2 3.25Å; S388-D390 PolarHBondContact O-N 2.97Å; S388-D390 PolarHBondContact OG-OD1 3.04Å; S388-D390 PolarHBondContact OG-OD2 2.86Å; D390-T392 PolarHBondContact O-N 3.4Å; D390-T392 VanDerWaalsContact OD1-CA 3.27Å; D390-T392 WeakPolarHBondContact OD1-CA 3.5Å; D390-T392 VanDerWaalsContact OD1-CB 3.28Å; D390-T392 WeakPolarHBondContact OD1-CB 3.29Å; D390-T392 PolarHBondContact OD1-N 2.77Å; D390-T392 PolarHBondContact OD1-OG1 3.12Å; D390-C393 PolarHBondContact O-N 3.22Å; D390-C393 PolarHBondContact O-SG 3.05Å; D390-C393 PolarHBondContact OD1-N 3.13Å; D390-C393 VanDerWaalsContact OD1-N 3.14Å |
| 391 | P | 74.9 | Confident | 85.5 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 79% | 0.786 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.3 | -180 | -28.1 | 37.2 | 0 | 0 | 0 | 115.1 | ||
| 392 | T | 79.5 | Confident | 84.5 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -17.2 | 177.3 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | D390 R394 | D390-T392 PolarHBondContact O-N 3.4Å; D390-T392 VanDerWaalsContact OD1-CA 3.27Å; D390-T392 WeakPolarHBondContact OD1-CA 3.5Å; D390-T392 VanDerWaalsContact OD1-CB 3.28Å; D390-T392 WeakPolarHBondContact OD1-CB 3.29Å; D390-T392 PolarHBondContact OD1-N 2.77Å; D390-T392 PolarHBondContact OD1-OG1 3.12Å; T392-R394 PolarHBondContact O-N 3.03Å; T392-R394 VanDerWaalsContact O-N 3.15Å; T392-R394 WeakPolarHBondContact OG1-CG 3.16Å |
| 393 | C | 83.6 | Confident | 83 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 10% | 0.095 | 34% | 0.34 | C | S | . | . | trans | 48.1 | 42.9 | 175.5 | -67.8 | 0 | 0 | 0 | 0 | 113.6 | T351 S388 D390 Q395 | T351-C393 HydrophobicContact CG2-CB 4.02Å; S388-C393 WeakPolarHBondContact O-CA 3.21Å; D390-C393 PolarHBondContact O-N 3.22Å; D390-C393 PolarHBondContact O-SG 3.05Å; D390-C393 PolarHBondContact OD1-N 3.13Å; D390-C393 VanDerWaalsContact OD1-N 3.14Å; C393-Q395 PolarHBondContact O-N 2.88Å | ||
| 394 | R | 86.7 | Confident | 81.2 | Confident | 184 Ų | 184 | 68 Ų | 68 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | trans | -65.1 | 132.2 | -177 | -73.5 | 174.2 | -174.5 | -170.7 | 1.2 | 109.6 | S388 T392 | S388-R394 PolarHBondContact N-O 2.93Å; S388-R394 PolarHBondContact OG-N 3.37Å; T392-R394 PolarHBondContact O-N 3.03Å; T392-R394 VanDerWaalsContact O-N 3.15Å; T392-R394 WeakPolarHBondContact OG1-CG 3.16Å | ||
| 395 | Q | 89.6 | Confident | 79.1 | Confident | 79 Ų | 79 | 71 Ų | 71 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -131.1 | 142.1 | 177.3 | 60.2 | 178 | -18.1 | 0 | 0 | 111.1 | F353 N386 F387 C393 | F353-Q395 VanDerWaalsContact CB-OE1 3.25Å; F353-Q395 VanDerWaalsContact CG-OE1 3.29Å; N386-Q395 CarbonylContact O-C 3.52Å; N386-Q395 VanDerWaalsContact O-CA 3.29Å; N386-Q395 WeakPolarHBondContact O-CA 3.39Å; F387-Q395 HydrophobicContact CD2-CB 4.09Å; C393-Q395 PolarHBondContact O-N 2.88Å |
| 396 | S | 91.4 | Very high | 76.5 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 170.4 | 167.2 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | K385 N386 | K385-S396 WeakPolarHBondContact CA-OG 3.47Å; K385-S396 WeakPolarHBondContact CE-O 3.4Å; N386-S396 PolarHBondContact N-OG 2.91Å; N386-S396 PolarHBondContact O-N 3.37Å |
| 397 | D | 91.8 | Very high | 74.2 | Confident | 143 Ų | 143 | 75 Ų | 75 | 77% | 0.765 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 165.8 | 161 | -63.3 | -41.4 | 0 | 0 | 0 | 111.4 | I399 | D397-I399 PolarHBondContact O-N 3.15Š|
| 398 | W | 91.1 | Very high | 71.9 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 122.9 | 174.1 | -71.7 | 112 | 0 | 0 | 0 | 111.2 | F333 F353 E354 F370 W374 K383 K385 | F333-W398 HydrophobicContact CD2-CZ2 4.36Å; F333-W398 HydrophobicContact CE2-CH2 4.3Å; F333-W398 HydrophobicContact CE2-CZ2 4.12Å; F353-W398 HydrophobicContact CD2-CZ2 4.08Å; F353-W398 HydrophobicContact CE2-CH2 4.1Å; F353-W398 AromaticContact CE2-CZ2 3.79Å; F353-W398 HydrophobicContact CE2-CZ2 3.79Å; E354-W398 PolarHBondContact O-NE1 3.02Å; F370-W398 AromaticContact CD1-CH2 3.63Å; F370-W398 HydrophobicContact CD1-CH2 3.63Å; F370-W398 HydrophobicContact CD1-CZ3 4.05Å; F370-W398 AromaticContact CE1-CH2 3.76Å; F370-W398 HydrophobicContact CE1-CH2 3.76Å; W374-W398 HydrophobicContact CH2-CD2 4.35Å; W374-W398 AromaticContact CH2-CE3 3.88Å; W374-W398 HydrophobicContact CH2-CE3 3.88Å; W374-W398 AromaticContact CH2-CH2 3.48Å; W374-W398 HydrophobicContact CH2-CH2 3.48Å; W374-W398 VanDerWaalsContact CH2-CH2 3.48Å; W374-W398 AromaticContact CH2-CZ2 3.99Å; W374-W398 HydrophobicContact CH2-CZ2 3.99Å; W374-W398 AromaticContact CH2-CZ3 3.45Å; W374-W398 HydrophobicContact CH2-CZ3 3.45Å; W374-W398 VanDerWaalsContact CH2-CZ3 3.45Å; W374-W398 AromaticContact CZ2-CH2 3.79Å; W374-W398 HydrophobicContact CZ2-CH2 3.79Å; W374-W398 AromaticContact CZ2-CZ2 3.96Å; W374-W398 HydrophobicContact CZ2-CZ2 3.96Å; W374-W398 HydrophobicContact CZ2-CZ3 4.23Å; W374-W398 HydrophobicContact CZ3-CZ3 4.39Å; K383-W398 HydrophobicContact CB-CE3 3.87Å; K383-W398 HydrophobicContact CD-CB 4.11Å; K385-W398 HydrophobicContact CB-CE3 4.33Å; K385-W398 HydrophobicContact CD-CH2 4.43Å; K385-W398 HydrophobicContact CD-CZ3 4.5Å; K385-W398 HydrophobicContact CG-CE3 4.26Å; K385-W398 HydrophobicContact CG-CH2 4.37Å; K385-W398 HydrophobicContact CG-CZ3 4Å |
| 399 | I | 89.2 | Confident | 69.7 | Low | 60 Ų | 60 | 79.5 Ų | 79.5 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.2 | 177.3 | -55.3 | 170.9 | 0 | 0 | 0 | 108.3 | K383 Y384 D397 | K383-I399 VanDerWaalsContact CA-O 3.3Å; K383-I399 WeakPolarHBondContact CA-O 3.27Å; K383-I399 WeakPolarHBondContact CB-O 3.33Å; Y384-I399 HydrophobicContact CD1-CB 4.19Å; Y384-I399 HydrophobicContact CD1-CG2 4.43Å; Y384-I399 HydrophobicContact CE1-CB 3.8Å; Y384-I399 HydrophobicContact CE1-CG2 3.63Å; Y384-I399 HydrophobicContact CE2-CB 4.29Å; Y384-I399 HydrophobicContact CE2-CD1 3.81Å; Y384-I399 PolarHBondContact N-O 3.17Å; Y384-I399 PolarHBondContact O-N 2.72Å; D397-I399 PolarHBondContact O-N 3.15Å |
| 400 | N | 82.6 | Confident | 67.7 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134 | 172.5 | -63.2 | -27.6 | 0 | 0 | 0 | 109.5 | K383 R402 | K383-N400 VanDerWaalsContact CD-OD1 3.28Å; K383-N400 WeakPolarHBondContact CD-OD1 3.43Å; K383-N400 WeakPolarHBondContact CE-OD1 3.31Å; K383-N400 PolarHBondContact NZ-OD1 3.27Å; N400-R402 VanDerWaalsContact C-N 3.33Å; N400-R402 PolarHBondContact O-N 2.92Å |
| 401 | I | 73.7 | Confident | 66.1 | Low | 37 Ų | 37 | 84.3 Ų | 84.3 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | trans | -72.7 | 95.4 | 167.1 | -59.1 | -175 | 0 | 0 | 0 | 107.2 | A12 F371 V382 Y384 L404 | A12-I401 HydrophobicContact CB-CD1 4.18Å; A12-I401 HydrophobicContact CB-CG2 4.42Å; F371-I401 HydrophobicContact CD1-CD1 4.04Å; F371-I401 HydrophobicContact CE1-CD1 3.87Å; V382-I401 HydrophobicContact CB-CD1 4.1Å; V382-I401 HydrophobicContact CG1-CD1 3.46Å; V382-I401 VanDerWaalsContact CG1-CD1 3.46Å; V382-I401 HydrophobicContact CG1-CG1 4.31Å; V382-I401 PolarHBondContact O-N 2.96Å; Y384-I401 HydrophobicContact CD1-CD1 4.34Å; Y384-I401 HydrophobicContact CD1-CG1 3.72Å; Y384-I401 HydrophobicContact CE1-CG1 4.25Å; I401-L404 HydrophobicContact CG2-CD1 4.46Å | ||
| 402 | R | 58.1 | Low | 64.8 | Low | 235 Ų | 235 | 81.5 Ų | 81.5 | 89% | 0.887 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 139.1 | 173 | -63.8 | -174.8 | -176.2 | -175 | 1 | 108.6 | N400 | N400-R402 VanDerWaalsContact C-N 3.33Å; N400-R402 PolarHBondContact O-N 2.92Å |
| 403 | G | 50.5 | Low | 63.4 | Low | 24 Ų | 24 | 81 Ų | 81 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.5 | -7.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N406 M407 | G403-N406 PolarHBondContact O-N 2.82Å; G403-M407 WeakPolarHBondContact O-CG 3.46Å; G403-M407 PolarHBondContact O-N 2.87Å |
| 404 | L | 50.8 | Low | 62.2 | Low | 18 Ų | 18 | 86.4 Ų | 86.4 | 9% | 0.094 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 168.6 | -121.4 | 66.2 | 0 | 0 | 0 | 110.8 | A12 Q16 V382 I401 N406 M407 | A12-L404 HydrophobicContact CB-CD1 3.26Å; A12-L404 HydrophobicContact CB-CD2 4.07Å; A12-L404 HydrophobicContact CB-CG 4.32Å; Q16-L404 HydrophobicContact CG-CD2 3.73Å; Q16-L404 HydrophobicContact CG-CG 4.49Å; Q16-L404 VanDerWaalsContact OE1-CG 3.31Å; V382-L404 HydrophobicContact CG2-CD2 4.08Å; I401-L404 HydrophobicContact CG2-CD1 4.46Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.12Å; L404-M407 PolarHBondContact O-N 3.46Å |
| 405 | D | 44 | Very low | 61.1 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.2 | -34.7 | 173.2 | -53.5 | -20.2 | 0 | 0 | 0 | 111.3 | M407 L408 M409 | D405-M407 VanDerWaalsContact C-N 3.3Å; D405-M407 PolarHBondContact O-N 3.04Å; D405-L408 PolarHBondContact O-N 2.6Å; D405-M409 WeakPolarHBondContact O-CB 3.42Å; D405-M409 PolarHBondContact O-N 3.37Å |
| 406 | N | 39.1 | Very low | 60 | Low | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.8 | -23 | 179.9 | -59.2 | -5.3 | 0 | 0 | 0 | 113.2 | G403 L404 L408 | G403-N406 PolarHBondContact O-N 2.82Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.12Å; N406-L408 PolarHBondContact O-N 3.05Å |
| 407 | M | 41.8 | Very low | 58.9 | Low | 80 Ų | 80 | 76.8 Ų | 76.8 | 39% | 0.394 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 174 | -78 | -97.6 | 170.2 | 0 | 0 | 110.9 | Y13 G403 L404 D405 | Y13-M407 HydrophobicContact CE2-SD 3.93Å; G403-M407 WeakPolarHBondContact O-CG 3.46Å; G403-M407 PolarHBondContact O-N 2.87Å; L404-M407 PolarHBondContact O-N 3.46Å; D405-M407 VanDerWaalsContact C-N 3.3Å; D405-M407 PolarHBondContact O-N 3.04Å |
| 408 | L | 41.7 | Very low | 57.8 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -102.7 | -27 | -175.2 | -67.1 | 166.4 | 0 | 0 | 0 | 113.7 | D405 N406 F430 C509 | D405-L408 PolarHBondContact O-N 2.6Å; N406-L408 PolarHBondContact O-N 3.05Å; L408-F430 HydrophobicContact CD2-CE1 4.08Å; L408-F430 HydrophobicContact CD2-CZ 4.25Å; L408-C509 HydrophobicContact CD1-CB 4.39Å |
| 409 | M | 40.6 | Very low | 56.8 | Low | 85 Ų | 85 | 75 Ų | 75 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -124.7 | 3.7 | -162.6 | -70.7 | -74.6 | 180 | 0 | 0 | 116.7 | D405 S411 | D405-M409 WeakPolarHBondContact O-CB 3.42Å; D405-M409 PolarHBondContact O-N 3.37Å; M409-S411 VanDerWaalsContact C-N 3.32Å; M409-S411 PolarHBondContact O-N 2.78Å |
| 410 | Q | 40.7 | Very low | 56 | Low | 105 Ų | 105 | 73.1 Ų | 73.1 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | trans | -78.3 | 95.8 | 160.7 | -81.1 | -175.1 | -24.9 | 0 | 0 | 107.8 | D412 | Q410-D412 PolarHBondContact O-N 2.74Š| ||
| 411 | S | 46 | Very low | 55.5 | Low | 89 Ų | 89 | 69.4 Ų | 69.4 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | trans | -55.2 | 77.2 | 146.7 | 61.5 | 0 | 0 | 0 | 0 | 106.4 | M409 V413 | M409-S411 VanDerWaalsContact C-N 3.32Å; M409-S411 PolarHBondContact O-N 2.78Å; S411-V413 VanDerWaalsContact O-CG2 3.32Å; S411-V413 WeakPolarHBondContact O-CG2 3.45Å; S411-V413 PolarHBondContact O-N 3.41Å | ||
| 412 | D | 48.5 | Very low | 55.6 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | trans | -71 | 84.9 | 171.4 | -82.4 | -42 | 0 | 0 | 0 | 105 | Q410 N414 L415 K423 | Q410-D412 PolarHBondContact O-N 2.74Å; D412-N414 PolarHBondContact O-N 3.11Å; D412-L415 HydrophobicContact CB-CB 4.45Å; D412-L415 HydrophobicContact CB-CD1 3.65Å; D412-L415 HydrophobicContact CB-CD2 4.45Å; D412-L415 HydrophobicContact CB-CG 3.52Å; D412-L415 PolarHBondContact O-N 3.17Å; D412-K423 IonicContact OD2-NZ 2.97Å | ||
| 413 | V | 50.5 | Low | 56.3 | Low | 75 Ų | 75 | 62.6 Ų | 62.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -11.4 | 175.5 | -169 | 0 | 0 | 0 | 0 | 110.9 | S411 Q492 | S411-V413 VanDerWaalsContact O-CG2 3.32Å; S411-V413 WeakPolarHBondContact O-CG2 3.45Å; S411-V413 PolarHBondContact O-N 3.41Å; V413-Q492 HydrophobicContact CG1-CG 4.15Å |
| 414 | N | 58.2 | Low | 57.5 | Low | 127 Ų | 127 | 62.3 Ų | 62.3 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.1 | -179.6 | -61.5 | -25.8 | 0 | 0 | 0 | 114.9 | D412 W490 | D412-N414 PolarHBondContact O-N 3.11Å; N414-W490 WeakPolarHBondContact O-CZ3 3.41Å |
| 415 | L | 63.8 | Low | 58.8 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | trans | -71.4 | 135 | 173.1 | -71.7 | 169.4 | 0 | 0 | 0 | 110.3 | D412 Q419 L420 K423 | D412-L415 HydrophobicContact CB-CB 4.45Å; D412-L415 HydrophobicContact CB-CD1 3.65Å; D412-L415 HydrophobicContact CB-CD2 4.45Å; D412-L415 HydrophobicContact CB-CG 3.52Å; D412-L415 PolarHBondContact O-N 3.17Å; L415-Q419 HydrophobicContact CB-CB 4.34Å; L415-Q419 HydrophobicContact CD2-CB 3.87Å; L415-L420 HydrophobicContact CB-CB 4.35Å; L415-L420 HydrophobicContact CD1-CD1 4.39Å; L415-K423 HydrophobicContact CD1-CD 3.93Å | ||
| 416 | E | 66.6 | Low | 60.2 | Low | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 147 | 164.4 | -67.4 | -172.2 | 163.4 | 0 | 0 | 109.2 | K418 Q419 L420 | E416-K418 PolarHBondContact O-N 3.03Å; E416-Q419 HydrophobicContact CB-CG 4.36Å; E416-Q419 WeakPolarHBondContact O-CB 3.44Å; E416-Q419 PolarHBondContact O-N 2.92Å; E416-L420 PolarHBondContact O-N 2.78Å |
| 417 | L | 66.9 | Low | 61.5 | Low | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -50.6 | -37.6 | -178.3 | 177.8 | 59.6 | 0 | 0 | 0 | 112.8 | L420 V421 V472 L480 V489 L494 | L417-L420 PolarHBondContact O-N 2.48Å; L417-V421 HydrophobicContact CD1-CG2 4.14Å; L417-V421 HydrophobicContact CG-CG2 4.49Å; L417-V421 VanDerWaalsContact O-CG2 3.23Å; L417-V421 WeakPolarHBondContact O-CG2 3.29Å; L417-V421 PolarHBondContact O-N 3.29Å; L417-V472 HydrophobicContact CD2-CG1 4.18Å; L417-V472 HydrophobicContact CD2-CG2 3.71Å; L417-L480 HydrophobicContact CB-CD1 4.44Å; L417-L480 HydrophobicContact CD2-CD1 3.65Å; L417-L480 HydrophobicContact CG-CD1 4.04Å; L417-L480 HydrophobicContact CG-CD2 4.26Å; L417-V489 HydrophobicContact CB-CB 4.35Å; L417-V489 VanDerWaalsContact CB-O 3.31Å; L417-V489 WeakPolarHBondContact CB-O 3.36Å; L417-V489 HydrophobicContact CD2-CB 4.22Å; L417-V489 HydrophobicContact CD2-CG1 3.98Å; L417-V489 PolarHBondContact N-O 2.83Å; L417-V489 VanDerWaalsContact N-O 3.13Å; L417-L494 HydrophobicContact CD1-CD1 3.74Å; L417-L494 HydrophobicContact CD1-CD2 4.49Å; L417-L494 HydrophobicContact CD1-CG 4.33Å |
| 418 | K | 68.7 | Low | 62.5 | Low | 61 Ų | 61 | 52.7 Ų | 52.7 | 27% | 0.265 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 176.1 | -175.1 | 170.6 | -178.9 | 167.4 | 0 | 111.9 | E416 L420 V421 D422 L480 | E416-K418 PolarHBondContact O-N 3.03Å; K418-L420 VanDerWaalsContact C-N 3.3Å; K418-L420 PolarHBondContact O-N 3.38Å; K418-V421 PolarHBondContact O-N 3Å; K418-D422 WeakPolarHBondContact O-CB 3.31Å; K418-D422 PolarHBondContact O-N 2.85Å; K418-L480 HydrophobicContact CB-CD2 3.77Å; K418-L480 HydrophobicContact CB-CG 4.29Å; K418-L480 HydrophobicContact CG-CD2 4.27Å |
| 419 | Q | 72.2 | Confident | 63.6 | Low | 95 Ų | 95 | 52.3 Ų | 52.3 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 178.9 | -61.6 | 176.3 | -32.8 | 0 | 0 | 111.8 | L415 E416 K423 | L415-Q419 HydrophobicContact CB-CB 4.34Å; L415-Q419 HydrophobicContact CD2-CB 3.87Å; E416-Q419 HydrophobicContact CB-CG 4.36Å; E416-Q419 WeakPolarHBondContact O-CB 3.44Å; E416-Q419 PolarHBondContact O-N 2.92Å; Q419-K423 WeakPolarHBondContact O-CB 3.44Å; Q419-K423 PolarHBondContact O-N 2.87Å |
| 420 | L | 70.9 | Confident | 65 | Low | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.1 | 180 | 62.2 | 0 | 0 | 0 | 112 | L415 E416 L417 K418 K423 I424 A491 L494 | L415-L420 HydrophobicContact CB-CB 4.35Å; L415-L420 HydrophobicContact CD1-CD1 4.39Å; E416-L420 PolarHBondContact O-N 2.78Å; L417-L420 PolarHBondContact O-N 2.48Å; K418-L420 VanDerWaalsContact C-N 3.3Å; K418-L420 PolarHBondContact O-N 3.38Å; L420-K423 WeakPolarHBondContact O-CB 3.42Å; L420-K423 PolarHBondContact O-N 3.43Å; L420-I424 HydrophobicContact CD1-CD1 3.97Å; L420-I424 HydrophobicContact CD1-CG1 4.26Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.98Å; L420-A491 HydrophobicContact CD2-CB 3.8Å; L420-L494 HydrophobicContact CD2-CD1 3.31Å |
| 421 | V | 73.4 | Confident | 66.3 | Low | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L417 K418 K423 I424 F425 R459 F463 | L417-V421 HydrophobicContact CD1-CG2 4.14Å; L417-V421 HydrophobicContact CG-CG2 4.49Å; L417-V421 VanDerWaalsContact O-CG2 3.23Å; L417-V421 WeakPolarHBondContact O-CG2 3.29Å; L417-V421 PolarHBondContact O-N 3.29Å; K418-V421 PolarHBondContact O-N 3Å; V421-K423 PolarHBondContact O-N 3.22Å; V421-I424 PolarHBondContact O-N 3.42Å; V421-F425 HydrophobicContact CG1-CD2 3.82Å; V421-F425 HydrophobicContact CG1-CE2 4.4Å; V421-F425 WeakPolarHBondContact O-CB 3.15Å; V421-F425 WeakPolarHBondContact O-CD2 3.45Å; V421-F425 PolarHBondContact O-N 3.42Å; V421-R459 HydrophobicContact CG1-CG 4.02Å; V421-F463 HydrophobicContact CB-CZ 3.88Å; V421-F463 HydrophobicContact CG1-CE1 4.4Å; V421-F463 HydrophobicContact CG1-CE2 3.58Å; V421-F463 HydrophobicContact CG1-CZ 3.39Å; V421-F463 HydrophobicContact CG2-CE1 3.65Å; V421-F463 HydrophobicContact CG2-CE2 4.36Å; V421-F463 HydrophobicContact CG2-CZ 3.42Å; V421-F463 VanDerWaalsContact CG2-CZ 3.42Å |
| 422 | D | 75.6 | Confident | 67.7 | Low | 81 Ų | 81 | 40 Ų | 40 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -36.7 | 177.2 | -68.3 | -21.1 | 0 | 0 | 0 | 110.8 | K418 S426 | K418-D422 WeakPolarHBondContact O-CB 3.31Å; K418-D422 PolarHBondContact O-N 2.85Å; D422-S426 WeakPolarHBondContact O-CB 3.17Å; D422-S426 PolarHBondContact O-N 2.97Å |
| 423 | K | 72.3 | Confident | 68.9 | Low | 48 Ų | 48 | 38.8 Ų | 38.8 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -54.4 | 175 | -167.3 | 179 | 179 | -177.4 | 0 | 111.5 | D412 L415 Q419 L420 V421 S426 Q429 | D412-K423 IonicContact OD2-NZ 2.97Å; L415-K423 HydrophobicContact CD1-CD 3.93Å; Q419-K423 WeakPolarHBondContact O-CB 3.44Å; Q419-K423 PolarHBondContact O-N 2.87Å; L420-K423 WeakPolarHBondContact O-CB 3.42Å; L420-K423 PolarHBondContact O-N 3.43Å; V421-K423 PolarHBondContact O-N 3.22Å; K423-S426 WeakPolarHBondContact O-CB 3.36Å; K423-S426 PolarHBondContact O-N 2.78Å; K423-Q429 PolarHBondContact O-OE1 3.44Å; K423-Q429 VanDerWaalsContact O-OE1 3.08Å |
| 424 | I | 75.2 | Confident | 69.9 | Low | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | -178 | -68.8 | 165.3 | 0 | 0 | 0 | 111.9 | L420 V421 S426 F430 L435 L502 | L420-I424 HydrophobicContact CD1-CD1 3.97Å; L420-I424 HydrophobicContact CD1-CG1 4.26Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.98Å; V421-I424 PolarHBondContact O-N 3.42Å; I424-S426 VanDerWaalsContact C-N 3.28Å; I424-S426 PolarHBondContact O-N 3.46Å; I424-F430 HydrophobicContact CG2-CD2 4.49Å; I424-L435 HydrophobicContact CG2-CD2 3.69Å; I424-L502 HydrophobicContact CD1-CD1 3.75Å; I424-L502 HydrophobicContact CG1-CD1 3.99Å; I424-L502 HydrophobicContact CG1-CD2 4.27Å; I424-L502 HydrophobicContact CG2-CD2 4.43Å |
| 425 | F | 77.9 | Confident | 70.9 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 7.4 | -177.7 | -70.2 | -83 | 0 | 0 | 0 | 112.9 | V421 L435 L458 R459 A462 | V421-F425 HydrophobicContact CG1-CD2 3.82Å; V421-F425 HydrophobicContact CG1-CE2 4.4Å; V421-F425 WeakPolarHBondContact O-CB 3.15Å; V421-F425 WeakPolarHBondContact O-CD2 3.45Å; V421-F425 PolarHBondContact O-N 3.42Å; F425-L435 HydrophobicContact CD1-CD1 4.05Å; F425-L435 HydrophobicContact CE1-CD1 4.27Å; F425-L458 HydrophobicContact CE1-CB 4.28Å; F425-L458 HydrophobicContact CE1-CD2 4.36Å; F425-L458 HydrophobicContact CE1-CG 4.18Å; F425-R459 HydrophobicContact CD1-CB 3.75Å; F425-R459 HydrophobicContact CD1-CG 4.43Å; F425-R459 HydrophobicContact CD2-CB 4.19Å; F425-R459 HydrophobicContact CD2-CG 3.99Å; F425-R459 HydrophobicContact CE1-CB 3.95Å; F425-R459 HydrophobicContact CE2-CB 4.35Å; F425-R459 HydrophobicContact CE2-CG 4.28Å; F425-R459 HydrophobicContact CG-CB 3.9Å; F425-R459 HydrophobicContact CG-CG 4.08Å; F425-R459 HydrophobicContact CZ-CB 4.26Å; F425-A462 HydrophobicContact CE2-CB 4.08Å; F425-A462 HydrophobicContact CZ-CB 3.55Å |
| 426 | S | 73.4 | Confident | 71.7 | Confident | 31 Ų | 31 | 29.8 Ų | 29.8 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -56.3 | 138.2 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | D422 K423 I424 V428 Q429 R455 | D422-S426 WeakPolarHBondContact O-CB 3.17Å; D422-S426 PolarHBondContact O-N 2.97Å; K423-S426 WeakPolarHBondContact O-CB 3.36Å; K423-S426 PolarHBondContact O-N 2.78Å; I424-S426 VanDerWaalsContact C-N 3.28Å; I424-S426 PolarHBondContact O-N 3.46Å; S426-V428 PolarHBondContact O-N 2.69Å; S426-Q429 PolarHBondContact O-N 3.2Å; S426-R455 PolarHBondContact O-NH1 3.18Å |
| 427 | P | 67 | Low | 72.2 | Confident | 29 Ų | 29 | 31 Ų | 31 | 19% | 0.188 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.2 | -178.9 | 22.5 | -32.7 | 0 | 0 | 0 | 113.9 | R455 | P427-R455 PolarHBondContact O-NH2 3.34Š|
| 428 | V | 63.4 | Low | 72.7 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -38.7 | -171.3 | -158.9 | 0 | 0 | 0 | 0 | 112 | Y13 F88 S426 | Y13-V428 HydrophobicContact CD1-CG1 3.74Å; Y13-V428 HydrophobicContact CD2-CG1 3.96Å; Y13-V428 HydrophobicContact CE1-CB 4.48Å; Y13-V428 HydrophobicContact CE1-CG1 3.61Å; Y13-V428 WeakPolarHBondContact CE1-O 3.32Å; Y13-V428 HydrophobicContact CE2-CG1 3.8Å; Y13-V428 HydrophobicContact CG-CG1 3.92Å; F88-V428 HydrophobicContact CB-CG2 4.25Å; F88-V428 HydrophobicContact CD1-CB 4.31Å; F88-V428 HydrophobicContact CD1-CG1 3.62Å; F88-V428 HydrophobicContact CD1-CG2 3.67Å; F88-V428 HydrophobicContact CE1-CG1 3.71Å; F88-V428 HydrophobicContact CG-CG2 4.44Å; S426-V428 PolarHBondContact O-N 2.69Å |
| 429 | Q | 64.6 | Low | 73.2 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -54.7 | -163.6 | -65.3 | -163.3 | 5.6 | 0 | 0 | 115.7 | Y13 K423 S426 | Y13-Q429 VanDerWaalsContact OH-CA 3.25Å; Y13-Q429 WeakPolarHBondContact OH-CA 3.35Å; K423-Q429 PolarHBondContact O-OE1 3.44Å; K423-Q429 VanDerWaalsContact O-OE1 3.08Å; S426-Q429 PolarHBondContact O-N 3.2Å |
| 430 | F | 68.8 | Low | 73.5 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -120 | 140.9 | -177.8 | -61.2 | -75.9 | 0 | 0 | 0 | 108.4 | L408 I424 L435 R455 L502 F505 | L408-F430 HydrophobicContact CD2-CE1 4.08Å; L408-F430 HydrophobicContact CD2-CZ 4.25Å; I424-F430 HydrophobicContact CG2-CD2 4.49Å; F430-L435 HydrophobicContact CB-CD1 4.15Å; F430-L435 HydrophobicContact CB-CD2 3.59Å; F430-L435 HydrophobicContact CB-CG 3.56Å; F430-L435 HydrophobicContact CD2-CD2 4.02Å; F430-L435 HydrophobicContact CG-CD2 3.94Å; F430-L435 HydrophobicContact CG-CG 4.44Å; F430-R455 VanDerWaalsContact O-CZ 3.26Å; F430-R455 PolarHBondContact O-NH1 2.96Å; F430-R455 PolarHBondContact O-NH2 3Å; F430-L502 HydrophobicContact CD1-CD2 4.48Å; F430-L502 HydrophobicContact CD2-CD2 4.11Å; F430-L502 HydrophobicContact CE1-CD2 3.87Å; F430-L502 HydrophobicContact CE2-CD2 3.45Å; F430-L502 VanDerWaalsContact CE2-CD2 3.45Å; F430-L502 HydrophobicContact CZ-CD2 3.31Å; F430-L502 HydrophobicContact CZ-CG 4.47Å; F430-F505 HydrophobicContact CD1-CB 4.44Å; F430-F505 HydrophobicContact CE1-CB 4.29Å |
| 431 | S | 69.3 | Low | 73.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -61.6 | 152.6 | 169.3 | 83.3 | 0 | 0 | 0 | 0 | 109.3 | A23 D433 S434 L435 | A23-S431 WeakPolarHBondContact O-CB 3.46Å; S431-D433 PolarHBondContact O-N 3.06Å; S431-D433 PolarHBondContact OG-N 2.86Å; S431-S434 PolarHBondContact O-N 3.37Å; S431-S434 WeakPolarHBondContact OG-CB 3.47Å; S431-S434 PolarHBondContact OG-N 3.16Å; S431-S434 PolarHBondContact OG-OG 2.67Å; S431-L435 PolarHBondContact O-N 3.29Å | ||
| 432 | F | 74.7 | Confident | 73.8 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -42.9 | 174.5 | 177.6 | -87 | 0 | 0 | 0 | 110.9 | R25 S434 L435 Q436 V450 N451 P452 R455 L458 | R25-F432 HydrophobicContact CG-CB 4.37Å; F432-S434 PolarHBondContact O-N 3.38Å; F432-L435 PolarHBondContact O-N 2.9Å; F432-Q436 HydrophobicContact CE1-CB 4.32Å; F432-Q436 WeakPolarHBondContact O-CB 3.37Å; F432-Q436 PolarHBondContact O-N 2.85Å; F432-V450 HydrophobicContact CE2-CG1 4.09Å; F432-V450 HydrophobicContact CZ-CB 4.34Å; F432-V450 HydrophobicContact CZ-CG1 3.87Å; F432-N451 WeakPolarHBondContact CZ-O 3.37Å; F432-P452 HydrophobicContact CE1-CB 4.34Å; F432-R455 HydrophobicContact CD2-CG 4.27Å; F432-L458 HydrophobicContact CD2-CD2 4.09Å; F432-L458 HydrophobicContact CE2-CB 4.12Å; F432-L458 HydrophobicContact CE2-CD2 3.97Å; F432-L458 HydrophobicContact CE2-CG 4.48Å; F432-L458 HydrophobicContact CZ-CD2 4.48Å |
| 433 | D | 73.6 | Confident | 73.6 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | -179.6 | -69.3 | -12.7 | 0 | 0 | 0 | 112.1 | R25 H26 S431 Q436 K437 | R25-D433 WeakPolarHBondContact CA-OD2 3.33Å; H26-D433 IonicContact CD2-OD2 3.16Å; H26-D433 PolarHBondContact N-OD2 2.96Å; S431-D433 PolarHBondContact O-N 3.06Å; S431-D433 PolarHBondContact OG-N 2.86Å; D433-Q436 PolarHBondContact O-N 3.39Å; D433-K437 WeakPolarHBondContact O-CB 3.3Å; D433-K437 PolarHBondContact O-N 3.02Å |
| 434 | S | 72.6 | Confident | 73.3 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | S431 F432 K437 A438 F505 | S431-S434 PolarHBondContact O-N 3.37Å; S431-S434 WeakPolarHBondContact OG-CB 3.47Å; S431-S434 PolarHBondContact OG-N 3.16Å; S431-S434 PolarHBondContact OG-OG 2.67Å; F432-S434 PolarHBondContact O-N 3.38Å; S434-K437 PolarHBondContact O-N 3.45Å; S434-A438 VanDerWaalsContact O-CB 3.31Å; S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 2.99Å; S434-F505 VanDerWaalsContact O-CZ 3.27Å; S434-F505 WeakPolarHBondContact O-CZ 3.48Å |
| 435 | L | 78.1 | Confident | 72.9 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.2 | -69.2 | 175.4 | 0 | 0 | 0 | 111.7 | I424 F425 F430 S431 F432 A438 L439 R455 L458 | I424-L435 HydrophobicContact CG2-CD2 3.69Å; F425-L435 HydrophobicContact CD1-CD1 4.05Å; F425-L435 HydrophobicContact CE1-CD1 4.27Å; F430-L435 HydrophobicContact CB-CD1 4.15Å; F430-L435 HydrophobicContact CB-CD2 3.59Å; F430-L435 HydrophobicContact CB-CG 3.56Å; F430-L435 HydrophobicContact CD2-CD2 4.02Å; F430-L435 HydrophobicContact CG-CD2 3.94Å; F430-L435 HydrophobicContact CG-CG 4.44Å; S431-L435 PolarHBondContact O-N 3.29Å; F432-L435 PolarHBondContact O-N 2.9Å; L435-A438 WeakPolarHBondContact O-CB 3.25Å; L435-A438 PolarHBondContact O-N 3.34Å; L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 WeakPolarHBondContact O-CG 3.17Å; L435-L439 PolarHBondContact O-N 2.98Å; L435-R455 VanDerWaalsContact CD1-NH1 3.35Å; L435-L458 HydrophobicContact CB-CD2 3.43Å; L435-L458 VanDerWaalsContact CB-CD2 3.43Å; L435-L458 HydrophobicContact CD1-CD2 4.29Å |
| 436 | Q | 79.8 | Confident | 72.3 | Confident | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.6 | -168.7 | 179.9 | 20.5 | 0 | 0 | 111.2 | F432 D433 L439 R440 I448 L458 | F432-Q436 HydrophobicContact CE1-CB 4.32Å; F432-Q436 WeakPolarHBondContact O-CB 3.37Å; F432-Q436 PolarHBondContact O-N 2.85Å; D433-Q436 PolarHBondContact O-N 3.39Å; Q436-L439 PolarHBondContact O-N 3.22Å; Q436-R440 WeakPolarHBondContact O-CB 3.26Å; Q436-R440 VanDerWaalsContact O-CG 3.29Å; Q436-R440 WeakPolarHBondContact O-CG 3.43Å; Q436-R440 PolarHBondContact O-N 3.32Å; Q436-I448 HydrophobicContact CG-CG2 4.15Å; Q436-L458 HydrophobicContact CB-CD1 4.27Å; Q436-L458 HydrophobicContact CB-CD2 4.46Å; Q436-L458 HydrophobicContact CG-CD1 4.3Å |
| 437 | K | 78 | Confident | 72.1 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 173.7 | -173.8 | 176.9 | 175.3 | -175.2 | 0 | 110.8 | E22 D433 S434 L439 R440 L441 F505 | E22-K437 IonicContact OE2-NZ 3.75Å; E22-K437 PolarHBondContact OE2-NZ 3.18Å; D433-K437 WeakPolarHBondContact O-CB 3.3Å; D433-K437 PolarHBondContact O-N 3.02Å; S434-K437 PolarHBondContact O-N 3.45Å; K437-L439 PolarHBondContact O-N 3.43Å; K437-R440 PolarHBondContact O-N 3.32Å; K437-L441 HydrophobicContact CG-CD1 4.46Å; K437-L441 VanDerWaalsContact O-CG 3.3Å; K437-L441 WeakPolarHBondContact O-CG 3.35Å; K437-L441 PolarHBondContact O-N 2.79Å; K437-F505 HydrophobicContact CB-CZ 4.23Å; K437-F505 HydrophobicContact CD-CE1 4.31Å; K437-F505 HydrophobicContact CD-CZ 4.42Å; K437-F505 HydrophobicContact CG-CZ 4.27Å |
| 438 | A | 77 | Confident | 72.6 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -51.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S434 L435 L441 C442 A501 F505 | S434-A438 VanDerWaalsContact O-CB 3.31Å; S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 2.99Å; L435-A438 WeakPolarHBondContact O-CB 3.25Å; L435-A438 PolarHBondContact O-N 3.34Å; A438-L441 WeakPolarHBondContact O-CB 3.49Å; A438-L441 PolarHBondContact O-N 3.16Å; A438-C442 PolarHBondContact O-N 2.72Å; A438-C442 PolarHBondContact O-SG 2.96Å; A438-A501 HydrophobicContact CB-CB 4.25Å; A438-F505 HydrophobicContact CB-CD2 4.14Å; A438-F505 HydrophobicContact CB-CE2 3.32Å; A438-F505 HydrophobicContact CB-CZ 3.99Å |
| 439 | L | 79.2 | Confident | 73.2 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | -179.4 | -70.4 | 168.9 | 0 | 0 | 0 | 111.6 | L435 Q436 K437 L441 C442 C443 I448 L458 A462 | L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 WeakPolarHBondContact O-CG 3.17Å; L435-L439 PolarHBondContact O-N 2.98Å; Q436-L439 PolarHBondContact O-N 3.22Å; K437-L439 PolarHBondContact O-N 3.43Å; L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 2.98Å; L439-C442 PolarHBondContact O-N 3.23Å; L439-C443 WeakPolarHBondContact O-CA 3.23Å; L439-C443 WeakPolarHBondContact O-CB 3.12Å; L439-C443 PolarHBondContact O-N 2.53Å; L439-C443 PolarHBondContact O-SG 3.28Å; L439-I448 HydrophobicContact CB-CD1 3.38Å; L439-L458 HydrophobicContact CD1-CD1 3.58Å; L439-L458 HydrophobicContact CD1-CD2 4.2Å; L439-L458 HydrophobicContact CD1-CG 3.54Å; L439-A462 HydrophobicContact CD1-CB 4.08Å; L439-A462 HydrophobicContact CD2-CB 3.61Å |
| 440 | R | 79.3 | Confident | 74.1 | Confident | 138 Ų | 138 | 53 Ų | 53 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 173 | -76.9 | 176.2 | -179.5 | 162.8 | 0.4 | 112.2 | Q436 K437 I448 | Q436-R440 WeakPolarHBondContact O-CB 3.26Å; Q436-R440 VanDerWaalsContact O-CG 3.29Å; Q436-R440 WeakPolarHBondContact O-CG 3.43Å; Q436-R440 PolarHBondContact O-N 3.32Å; K437-R440 PolarHBondContact O-N 3.32Å; R440-I448 HydrophobicContact CG-CD1 3.92Å; R440-I448 HydrophobicContact CG-CG1 4.33Å |
| 441 | L | 77.9 | Confident | 74.5 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 52% | 0.518 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 176.5 | -70 | 170.7 | 0 | 0 | 0 | 112.4 | K437 A438 L439 L444 | K437-L441 HydrophobicContact CG-CD1 4.46Å; K437-L441 VanDerWaalsContact O-CG 3.3Å; K437-L441 WeakPolarHBondContact O-CG 3.35Å; K437-L441 PolarHBondContact O-N 2.79Å; A438-L441 WeakPolarHBondContact O-CB 3.49Å; A438-L441 PolarHBondContact O-N 3.16Å; L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 2.98Å; L441-L444 WeakPolarHBondContact O-CD2 3.21Å; L441-L444 WeakPolarHBondContact O-CG 3.42Å |
| 442 | C | 72 | Confident | 74.7 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.8 | -47.5 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | A438 L439 L444 Y465 I497 | A438-C442 PolarHBondContact O-N 2.72Å; A438-C442 PolarHBondContact O-SG 2.96Å; L439-C442 PolarHBondContact O-N 3.23Å; C442-L444 VanDerWaalsContact C-N 3.32Å; C442-L444 PolarHBondContact O-N 2.74Å; C442-Y465 HydrophobicContact CB-CE1 4.17Å; C442-Y465 PolarHBondContact O-OH 2.89Å; C442-Y465 VanDerWaalsContact O-OH 3.06Å; C442-I497 HydrophobicContact CB-CG2 4.05Å; C442-I497 WeakPolarHBondContact SG-CG2 3.39Å |
| 443 | C | 72.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -94.3 | 39 | -170.2 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | L439 N445 V446 Y465 | L439-C443 WeakPolarHBondContact O-CA 3.23Å; L439-C443 WeakPolarHBondContact O-CB 3.12Å; L439-C443 PolarHBondContact O-N 2.53Å; L439-C443 PolarHBondContact O-SG 3.28Å; C443-N445 PolarHBondContact O-N 2.66Å; C443-V446 HydrophobicContact CB-CB 4.13Å; C443-V446 HydrophobicContact CB-CG2 4.32Å; C443-V446 PolarHBondContact O-N 2.8Å; C443-Y465 HydrophobicContact CB-CD2 3.79Å; C443-Y465 HydrophobicContact CB-CE2 4.07Å; C443-Y465 HydrophobicContact CB-CG 4.33Å; C443-Y465 WeakPolarHBondContact SG-CD2 3.4Å |
| 444 | L | 65.8 | Low | 74.9 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.6 | -19.7 | -164.7 | -68.8 | 168.6 | 0 | 0 | 0 | 118.3 | L441 C442 | L441-L444 WeakPolarHBondContact O-CD2 3.21Å; L441-L444 WeakPolarHBondContact O-CG 3.42Å; C442-L444 VanDerWaalsContact C-N 3.32Å; C442-L444 PolarHBondContact O-N 2.74Å |
| 445 | N | 65.1 | Low | 75.3 | Confident | 158 Ų | 158 | 62 Ų | 62 | 85% | 0.845 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 5.7 | -178.5 | -59.4 | -41.6 | 0 | 0 | 0 | 115.5 | C443 | C443-N445 PolarHBondContact O-N 2.66Š|
| 446 | V | 66.5 | Low | 75.5 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -102.5 | 116.1 | 178.4 | -176 | 0 | 0 | 0 | 0 | 109.1 | C443 I448 | C443-V446 HydrophobicContact CB-CB 4.13Å; C443-V446 HydrophobicContact CB-CG2 4.32Å; C443-V446 PolarHBondContact O-N 2.8Å; V446-I448 PolarHBondContact O-N 2.64Å; V446-I448 VanDerWaalsContact O-N 3.13Å |
| 447 | P | 69.9 | Low | 75.8 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 76% | 0.76 | 36% | 0.358 | S | S | * | . | trans | -62.8 | 117.9 | 173.3 | 24.3 | -30.4 | 0 | 0 | 0 | 109.4 | D449 | P447-D449 PolarHBondContact O-N 2.98Š| ||
| 448 | I | 76.1 | Confident | 76 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | trans | -90.4 | 85.2 | 174.7 | -52.1 | -171 | 0 | 0 | 0 | 107.7 | Q436 L439 R440 V446 V450 L458 V461 | Q436-I448 HydrophobicContact CG-CG2 4.15Å; L439-I448 HydrophobicContact CB-CD1 3.38Å; R440-I448 HydrophobicContact CG-CD1 3.92Å; R440-I448 HydrophobicContact CG-CG1 4.33Å; V446-I448 PolarHBondContact O-N 2.64Å; V446-I448 VanDerWaalsContact O-N 3.13Å; I448-V450 HydrophobicContact CG2-CB 4.3Å; I448-V450 HydrophobicContact CG2-CG2 3.78Å; I448-V450 PolarHBondContact O-N 2.99Å; I448-L458 HydrophobicContact CG2-CD1 3.81Å; I448-V461 HydrophobicContact CD1-CG1 4.26Å; I448-V461 HydrophobicContact CG1-CG1 4.13Å; I448-V461 HydrophobicContact CG2-CG1 4.33Å | ||
| 449 | D | 77.3 | Confident | 76.4 | Confident | 158 Ų | 158 | 63.9 Ų | 63.9 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | trans | -93.1 | 79.6 | 173.1 | -167 | 18.8 | 0 | 0 | 0 | 109.1 | P447 | P447-D449 PolarHBondContact O-N 2.98Š| ||
| 450 | V | 81.7 | Confident | 76.6 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | trans | -121.1 | 130.7 | 179 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | F432 I448 D454 A457 L458 V461 | F432-V450 HydrophobicContact CE2-CG1 4.09Å; F432-V450 HydrophobicContact CZ-CB 4.34Å; F432-V450 HydrophobicContact CZ-CG1 3.87Å; I448-V450 HydrophobicContact CG2-CB 4.3Å; I448-V450 HydrophobicContact CG2-CG2 3.78Å; I448-V450 PolarHBondContact O-N 2.99Å; V450-D454 HydrophobicContact CG1-CB 4Å; V450-D454 WeakPolarHBondContact CG1-O 3.13Å; V450-A457 HydrophobicContact CG1-CB 3.57Å; V450-A457 HydrophobicContact CG2-CB 4.29Å; V450-L458 HydrophobicContact CB-CD1 4.48Å; V450-L458 HydrophobicContact CG1-CB 4.33Å; V450-L458 HydrophobicContact CG2-CD1 4.29Å; V450-V461 HydrophobicContact CG2-CG2 3.75Å | ||
| 451 | N | 78.5 | Confident | 76.8 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | trans | -56.3 | 133.3 | 175.1 | -74.3 | -37.7 | 0 | 0 | 0 | 109.4 | F432 G453 D454 | F432-N451 WeakPolarHBondContact CZ-O 3.37Å; N451-G453 PolarHBondContact O-N 2.87Å; N451-D454 HydrophobicContact CB-CB 4.23Å; N451-D454 VanDerWaalsContact O-CB 3.26Å; N451-D454 WeakPolarHBondContact O-CB 3.14Å; N451-D454 PolarHBondContact O-N 2.88Å | ||
| 452 | P | 73 | Confident | 76.9 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.4 | -178.6 | -25.5 | 33.8 | 0 | 0 | 0 | 112.7 | D27 F432 D454 | D27-P452 HydrophobicContact CB-CB 3.18Å; D27-P452 HydrophobicContact CB-CG 4.06Å; F432-P452 HydrophobicContact CE1-CB 4.34Å; P452-D454 VanDerWaalsContact C-N 3.31Å; P452-D454 PolarHBondContact O-N 3.32Å |
| 453 | G | 72.5 | Confident | 77.2 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N451 R455 | N451-G453 PolarHBondContact O-N 2.87Å; G453-R455 PolarHBondContact O-N 2.92Å |
| 454 | D | 79.6 | Confident | 77.4 | Confident | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | trans | -80.4 | 80.3 | 176.4 | -170.6 | -15.5 | 0 | 0 | 0 | 111.2 | V450 N451 P452 D456 A457 L458 | V450-D454 HydrophobicContact CG1-CB 4Å; V450-D454 WeakPolarHBondContact CG1-O 3.13Å; N451-D454 HydrophobicContact CB-CB 4.23Å; N451-D454 VanDerWaalsContact O-CB 3.26Å; N451-D454 WeakPolarHBondContact O-CB 3.14Å; N451-D454 PolarHBondContact O-N 2.88Å; P452-D454 VanDerWaalsContact C-N 3.31Å; P452-D454 PolarHBondContact O-N 3.32Å; D454-D456 VanDerWaalsContact C-N 3.27Å; D454-D456 PolarHBondContact O-N 3.19Å; D454-D456 PolarHBondContact OD1-N 3.06Å; D454-A457 HydrophobicContact CB-CB 4.13Å; D454-A457 PolarHBondContact O-N 3.47Å; D454-A457 WeakPolarHBondContact OD1-CB 3.23Å; D454-A457 PolarHBondContact OD1-N 2.8Å; D454-A457 WeakPolarHBondContact OD2-CB 3.38Å; D454-L458 PolarHBondContact O-N 3.49Å; D454-L458 VanDerWaalsContact O-N 3.07Å | ||
| 455 | R | 81.1 | Confident | 77.9 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.038 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -30.2 | -177.5 | -66.1 | -172.9 | -179.8 | -104 | -0.1 | 113 | D91 S426 P427 F430 F432 L435 G453 L458 R459 | D91-R455 WeakPolarHBondContact OD1-CD 3.48Å; D91-R455 IonicContact OD1-NE 2.67Å; D91-R455 PolarHBondContact OD1-NE 3.15Å; D91-R455 VanDerWaalsContact OD1-NE 3.16Å; D91-R455 WeakPolarHBondContact OD2-CB 3.24Å; S426-R455 PolarHBondContact O-NH1 3.18Å; P427-R455 PolarHBondContact O-NH2 3.34Å; F430-R455 VanDerWaalsContact O-CZ 3.26Å; F430-R455 PolarHBondContact O-NH1 2.96Å; F430-R455 PolarHBondContact O-NH2 3Å; F432-R455 HydrophobicContact CD2-CG 4.27Å; L435-R455 VanDerWaalsContact CD1-NH1 3.35Å; G453-R455 PolarHBondContact O-N 2.92Å; R455-L458 PolarHBondContact O-N 3.48Å; R455-R459 VanDerWaalsContact O-CB 3.23Å; R455-R459 WeakPolarHBondContact O-CB 3.41Å; R455-R459 PolarHBondContact O-N 3.31Å |
| 456 | D | 82.9 | Confident | 78.4 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 178.5 | -79.9 | -33.4 | 0 | 0 | 0 | 111.1 | D454 L458 R459 V460 | D454-D456 VanDerWaalsContact C-N 3.27Å; D454-D456 PolarHBondContact O-N 3.19Å; D454-D456 PolarHBondContact OD1-N 3.06Å; D456-L458 VanDerWaalsContact C-N 3.32Å; D456-L458 PolarHBondContact O-N 3.3Å; D456-R459 WeakPolarHBondContact O-CB 3.48Å; D456-R459 PolarHBondContact O-N 3.13Å; D456-R459 IonicContact OD1-CZ 3.09Å; D456-R459 IonicContact OD1-NH1 2.78Å; D456-R459 PolarHBondContact OD1-NH1 3.32Å; D456-V460 WeakPolarHBondContact O-CG2 3.34Å; D456-V460 PolarHBondContact O-N 3.25Å |
| 457 | A | 85 | Confident | 78.7 | Confident | 28 Ų | 28 | 51 Ų | 51 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | V450 D454 R459 V460 V461 | V450-A457 HydrophobicContact CG1-CB 3.57Å; V450-A457 HydrophobicContact CG2-CB 4.29Å; D454-A457 HydrophobicContact CB-CB 4.13Å; D454-A457 PolarHBondContact O-N 3.47Å; D454-A457 WeakPolarHBondContact OD1-CB 3.23Å; D454-A457 PolarHBondContact OD1-N 2.8Å; D454-A457 WeakPolarHBondContact OD2-CB 3.38Å; A457-R459 VanDerWaalsContact C-N 3.33Å; A457-R459 PolarHBondContact O-N 3.26Å; A457-V460 WeakPolarHBondContact O-CB 3.36Å; A457-V460 PolarHBondContact O-N 2.95Å; A457-V461 WeakPolarHBondContact O-CG2 3.42Å; A457-V461 PolarHBondContact O-N 3.13Å |
| 458 | L | 83.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.3 | -163.3 | 67.7 | 0 | 0 | 0 | 112.2 | F425 F432 L435 Q436 L439 I448 V450 D454 R455 D456 V461 A462 | F425-L458 HydrophobicContact CE1-CB 4.28Å; F425-L458 HydrophobicContact CE1-CD2 4.36Å; F425-L458 HydrophobicContact CE1-CG 4.18Å; F432-L458 HydrophobicContact CD2-CD2 4.09Å; F432-L458 HydrophobicContact CE2-CB 4.12Å; F432-L458 HydrophobicContact CE2-CD2 3.97Å; F432-L458 HydrophobicContact CE2-CG 4.48Å; F432-L458 HydrophobicContact CZ-CD2 4.48Å; L435-L458 HydrophobicContact CB-CD2 3.43Å; L435-L458 VanDerWaalsContact CB-CD2 3.43Å; L435-L458 HydrophobicContact CD1-CD2 4.29Å; Q436-L458 HydrophobicContact CB-CD1 4.27Å; Q436-L458 HydrophobicContact CB-CD2 4.46Å; Q436-L458 HydrophobicContact CG-CD1 4.3Å; L439-L458 HydrophobicContact CD1-CD1 3.58Å; L439-L458 HydrophobicContact CD1-CD2 4.2Å; L439-L458 HydrophobicContact CD1-CG 3.54Å; I448-L458 HydrophobicContact CG2-CD1 3.81Å; V450-L458 HydrophobicContact CB-CD1 4.48Å; V450-L458 HydrophobicContact CG1-CB 4.33Å; V450-L458 HydrophobicContact CG2-CD1 4.29Å; D454-L458 PolarHBondContact O-N 3.49Å; D454-L458 VanDerWaalsContact O-N 3.07Å; R455-L458 PolarHBondContact O-N 3.48Å; D456-L458 VanDerWaalsContact C-N 3.32Å; D456-L458 PolarHBondContact O-N 3.3Å; L458-V461 PolarHBondContact O-N 2.65Å; L458-A462 PolarHBondContact O-N 2.93Å |
| 459 | R | 84.8 | Confident | 78.8 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.2 | -179.2 | -172.9 | -68.4 | 159.7 | -9.9 | 110.7 | V421 F425 R455 D456 A457 V461 A462 F463 | V421-R459 HydrophobicContact CG1-CG 4.02Å; F425-R459 HydrophobicContact CD1-CB 3.75Å; F425-R459 HydrophobicContact CD1-CG 4.43Å; F425-R459 HydrophobicContact CD2-CB 4.19Å; F425-R459 HydrophobicContact CD2-CG 3.99Å; F425-R459 HydrophobicContact CE1-CB 3.95Å; F425-R459 HydrophobicContact CE2-CB 4.35Å; F425-R459 HydrophobicContact CE2-CG 4.28Å; F425-R459 HydrophobicContact CG-CB 3.9Å; F425-R459 HydrophobicContact CG-CG 4.08Å; F425-R459 HydrophobicContact CZ-CB 4.26Å; R455-R459 VanDerWaalsContact O-CB 3.23Å; R455-R459 WeakPolarHBondContact O-CB 3.41Å; R455-R459 PolarHBondContact O-N 3.31Å; D456-R459 WeakPolarHBondContact O-CB 3.48Å; D456-R459 PolarHBondContact O-N 3.13Å; D456-R459 IonicContact OD1-CZ 3.09Å; D456-R459 IonicContact OD1-NH1 2.78Å; D456-R459 PolarHBondContact OD1-NH1 3.32Å; A457-R459 VanDerWaalsContact C-N 3.33Å; A457-R459 PolarHBondContact O-N 3.26Å; R459-V461 VanDerWaalsContact C-N 3.35Å; R459-V461 PolarHBondContact O-N 3.27Å; R459-A462 PolarHBondContact O-N 3.44Å; R459-F463 HydrophobicContact CG-CD2 3.74Å; R459-F463 HydrophobicContact CG-CE2 3.49Å; R459-F463 VanDerWaalsContact CG-CE2 3.49Å; R459-F463 WeakPolarHBondContact O-CD2 3.3Å; R459-F463 PolarHBondContact O-N 3.16Å |
| 460 | V | 83.6 | Confident | 78.5 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | D456 A457 F463 R464 | D456-V460 WeakPolarHBondContact O-CG2 3.34Å; D456-V460 PolarHBondContact O-N 3.25Å; A457-V460 WeakPolarHBondContact O-CB 3.36Å; A457-V460 PolarHBondContact O-N 2.95Å; V460-F463 PolarHBondContact O-N 3.48Å; V460-R464 PolarHBondContact O-N 3.47Å |
| 461 | V | 83.1 | Confident | 77.8 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | I448 V450 A457 L458 R459 F463 R464 Y465 | I448-V461 HydrophobicContact CD1-CG1 4.26Å; I448-V461 HydrophobicContact CG1-CG1 4.13Å; I448-V461 HydrophobicContact CG2-CG1 4.33Å; V450-V461 HydrophobicContact CG2-CG2 3.75Å; A457-V461 WeakPolarHBondContact O-CG2 3.42Å; A457-V461 PolarHBondContact O-N 3.13Å; L458-V461 PolarHBondContact O-N 2.65Å; R459-V461 VanDerWaalsContact C-N 3.35Å; R459-V461 PolarHBondContact O-N 3.27Å; V461-F463 VanDerWaalsContact C-N 3.32Å; V461-F463 PolarHBondContact O-N 3.41Å; V461-R464 PolarHBondContact O-N 3.47Å; V461-Y465 PolarHBondContact O-N 3.02Å |
| 462 | A | 80.4 | Confident | 77.3 | Confident | 9 Ų | 9 | 50 Ų | 50 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F425 L439 L458 R459 Y465 L466 | F425-A462 HydrophobicContact CE2-CB 4.08Å; F425-A462 HydrophobicContact CZ-CB 3.55Å; L439-A462 HydrophobicContact CD1-CB 4.08Å; L439-A462 HydrophobicContact CD2-CB 3.61Å; L458-A462 PolarHBondContact O-N 2.93Å; R459-A462 PolarHBondContact O-N 3.44Å; A462-Y465 WeakPolarHBondContact O-CB 3.4Å; A462-Y465 PolarHBondContact O-N 3.43Å; A462-L466 WeakPolarHBondContact O-CG 3.33Å; A462-L466 PolarHBondContact O-N 3.31Å |
| 463 | F | 78.5 | Confident | 77.2 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 177.3 | -79.9 | -58.5 | 0 | 0 | 0 | 113.5 | V421 R459 V460 V461 Y465 L466 V467 L477 L480 F481 | V421-F463 HydrophobicContact CB-CZ 3.88Å; V421-F463 HydrophobicContact CG1-CE1 4.4Å; V421-F463 HydrophobicContact CG1-CE2 3.58Å; V421-F463 HydrophobicContact CG1-CZ 3.39Å; V421-F463 HydrophobicContact CG2-CE1 3.65Å; V421-F463 HydrophobicContact CG2-CE2 4.36Å; V421-F463 HydrophobicContact CG2-CZ 3.42Å; V421-F463 VanDerWaalsContact CG2-CZ 3.42Å; R459-F463 HydrophobicContact CG-CD2 3.74Å; R459-F463 HydrophobicContact CG-CE2 3.49Å; R459-F463 VanDerWaalsContact CG-CE2 3.49Å; R459-F463 WeakPolarHBondContact O-CD2 3.3Å; R459-F463 PolarHBondContact O-N 3.16Å; V460-F463 PolarHBondContact O-N 3.48Å; V461-F463 VanDerWaalsContact C-N 3.32Å; V461-F463 PolarHBondContact O-N 3.41Å; F463-Y465 VanDerWaalsContact C-N 3.29Å; F463-Y465 PolarHBondContact O-N 3.33Å; F463-L466 HydrophobicContact CD1-CD1 4.07Å; F463-L466 WeakPolarHBondContact O-CB 3.49Å; F463-L466 PolarHBondContact O-N 3.02Å; F463-V467 PolarHBondContact O-N 3.15Å; F463-L477 HydrophobicContact CB-CD1 4.08Å; F463-L477 HydrophobicContact CB-CD2 4.03Å; F463-L477 HydrophobicContact CD1-CD2 3.26Å; F463-L477 HydrophobicContact CE1-CD2 3.76Å; F463-L477 HydrophobicContact CG-CD2 3.85Å; F463-L480 HydrophobicContact CE1-CD2 4.27Å; F463-L480 HydrophobicContact CZ-CD2 4.03Å; F463-F481 HydrophobicContact CD2-CE2 4Å; F463-F481 AromaticContact CD2-CZ 3.51Å; F463-F481 HydrophobicContact CD2-CZ 3.51Å; F463-F481 HydrophobicContact CE2-CE1 4.14Å; F463-F481 HydrophobicContact CE2-CE2 4.01Å; F463-F481 AromaticContact CE2-CZ 3.35Å; F463-F481 HydrophobicContact CE2-CZ 3.35Å; F463-F481 HydrophobicContact CG-CZ 4.43Å; F463-F481 HydrophobicContact CZ-CZ 4.16Å |
| 464 | R | 77 | Confident | 77.1 | Confident | 151 Ų | 151 | 57.8 Ų | 57.8 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.8 | -45.7 | 173.1 | -176.4 | -179.8 | -67.6 | 172.5 | -0.4 | 110.6 | V460 V461 L466 V467 E468 | V460-R464 PolarHBondContact O-N 3.47Å; V461-R464 PolarHBondContact O-N 3.47Å; R464-L466 VanDerWaalsContact C-N 3.34Å; R464-L466 PolarHBondContact O-N 3.5Å; R464-V467 PolarHBondContact O-N 3.24Å; R464-E468 WeakPolarHBondContact CD-OE1 3.48Å; R464-E468 HydrophobicContact CG-CG 4.35Å; R464-E468 WeakPolarHBondContact CG-OE1 3.4Å; R464-E468 WeakPolarHBondContact O-CG 3.31Å; R464-E468 PolarHBondContact O-N 2.63Å |
| 465 | Y | 76.3 | Confident | 76.6 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.8 | 174.9 | -103 | 0 | 0 | 0 | 112.7 | C442 C443 V461 A462 F463 V467 E468 C469 | C442-Y465 HydrophobicContact CB-CE1 4.17Å; C442-Y465 PolarHBondContact O-OH 2.89Å; C442-Y465 VanDerWaalsContact O-OH 3.06Å; C443-Y465 HydrophobicContact CB-CD2 3.79Å; C443-Y465 HydrophobicContact CB-CE2 4.07Å; C443-Y465 HydrophobicContact CB-CG 4.33Å; C443-Y465 WeakPolarHBondContact SG-CD2 3.4Å; V461-Y465 PolarHBondContact O-N 3.02Å; A462-Y465 WeakPolarHBondContact O-CB 3.4Å; A462-Y465 PolarHBondContact O-N 3.43Å; F463-Y465 VanDerWaalsContact C-N 3.29Å; F463-Y465 PolarHBondContact O-N 3.33Å; Y465-V467 VanDerWaalsContact C-N 3.3Å; Y465-V467 PolarHBondContact O-N 3.32Å; Y465-E468 PolarHBondContact O-N 3.43Å; Y465-C469 WeakPolarHBondContact CE2-SG 3.49Å; Y465-C469 WeakPolarHBondContact O-CB 3.39Å; Y465-C469 PolarHBondContact O-N 3.43Å; Y465-C469 PolarHBondContact O-SG 3.3Å |
| 466 | L | 73.7 | Confident | 75.9 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 176.7 | -71.6 | 177.3 | 0 | 0 | 0 | 112.9 | A462 F463 R464 Y471 V472 L494 I498 | A462-L466 WeakPolarHBondContact O-CG 3.33Å; A462-L466 PolarHBondContact O-N 3.31Å; F463-L466 HydrophobicContact CD1-CD1 4.07Å; F463-L466 WeakPolarHBondContact O-CB 3.49Å; F463-L466 PolarHBondContact O-N 3.02Å; R464-L466 VanDerWaalsContact C-N 3.34Å; R464-L466 PolarHBondContact O-N 3.5Å; L466-Y471 HydrophobicContact CD2-CD2 4.04Å; L466-Y471 HydrophobicContact CD2-CG 4.46Å; L466-Y471 WeakPolarHBondContact O-CB 3.39Å; L466-Y471 PolarHBondContact O-N 2.68Å; L466-V472 HydrophobicContact CB-CG2 4.31Å; L466-V472 PolarHBondContact O-N 2.84Å; L466-L494 HydrophobicContact CD1-CD2 3.81Å; L466-L494 HydrophobicContact CD2-CD2 3.38Å; L466-L494 HydrophobicContact CG-CD2 4.25Å; L466-I498 HydrophobicContact CD2-CD1 3.53Å; L466-I498 HydrophobicContact CG-CD1 4.37Å |
| 467 | V | 73 | Confident | 75.1 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.8 | -47.4 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | F463 R464 Y465 C469 N470 E474 L477 | F463-V467 PolarHBondContact O-N 3.15Å; R464-V467 PolarHBondContact O-N 3.24Å; Y465-V467 VanDerWaalsContact C-N 3.3Å; Y465-V467 PolarHBondContact O-N 3.32Å; V467-C469 PolarHBondContact O-N 3.21Å; V467-N470 WeakPolarHBondContact O-CA 3.37Å; V467-N470 PolarHBondContact O-N 3.17Å; V467-E474 HydrophobicContact CG1-CG 3.73Å; V467-L477 HydrophobicContact CG2-CD1 3.25Å; V467-L477 HydrophobicContact CG2-CD2 4.49Å; V467-L477 HydrophobicContact CG2-CG 3.73Å |
| 468 | E | 75.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 60.9 Ų | 60.9 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.5 | -33.1 | 179.4 | -75 | 175.6 | -176.2 | 0 | 0 | 112 | R464 Y465 N470 | R464-E468 WeakPolarHBondContact CD-OE1 3.48Å; R464-E468 HydrophobicContact CG-CG 4.35Å; R464-E468 WeakPolarHBondContact CG-OE1 3.4Å; R464-E468 WeakPolarHBondContact O-CG 3.31Å; R464-E468 PolarHBondContact O-N 2.63Å; Y465-E468 PolarHBondContact O-N 3.43Å; E468-N470 VanDerWaalsContact C-N 3.28Å; E468-N470 PolarHBondContact O-N 3.39Å |
| 469 | C | 73.4 | Confident | 73.2 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 6.3 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | Y465 V467 Y471 | Y465-C469 WeakPolarHBondContact CE2-SG 3.49Å; Y465-C469 WeakPolarHBondContact O-CB 3.39Å; Y465-C469 PolarHBondContact O-N 3.43Å; Y465-C469 PolarHBondContact O-SG 3.3Å; V467-C469 PolarHBondContact O-N 3.21Å; C469-Y471 VanDerWaalsContact C-N 3.26Å; C469-Y471 HydrophobicContact CB-CD2 3.32Å; C469-Y471 HydrophobicContact CB-CE2 3.16Å; C469-Y471 HydrophobicContact CB-CG 4.39Å; C469-Y471 PolarHBondContact O-N 3.24Å |
| 470 | N | 70.4 | Confident | 72.1 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28.6 | -178.4 | -64.8 | -56.7 | 0 | 0 | 0 | 114.9 | V467 E468 | V467-N470 WeakPolarHBondContact O-CA 3.37Å; V467-N470 PolarHBondContact O-N 3.17Å; E468-N470 VanDerWaalsContact C-N 3.28Å; E468-N470 PolarHBondContact O-N 3.39Å |
| 471 | Y | 67.2 | Low | 71 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -79.8 | -30.9 | 174.6 | -65.5 | -63 | 0 | 0 | 0 | 112.3 | L466 C469 K493 P495 | L466-Y471 HydrophobicContact CD2-CD2 4.04Å; L466-Y471 HydrophobicContact CD2-CG 4.46Å; L466-Y471 WeakPolarHBondContact O-CB 3.39Å; L466-Y471 PolarHBondContact O-N 2.68Å; C469-Y471 VanDerWaalsContact C-N 3.26Å; C469-Y471 HydrophobicContact CB-CD2 3.32Å; C469-Y471 HydrophobicContact CB-CE2 3.16Å; C469-Y471 HydrophobicContact CB-CG 4.39Å; C469-Y471 PolarHBondContact O-N 3.24Å; Y471-K493 WeakPolarHBondContact CD1-O 3.44Å; Y471-P495 HydrophobicContact CD2-CG 3.94Å; Y471-P495 HydrophobicContact CE1-CB 4.01Å; Y471-P495 HydrophobicContact CE1-CG 4.13Å; Y471-P495 HydrophobicContact CE2-CB 3.99Å; Y471-P495 HydrophobicContact CE2-CG 3.47Å; Y471-P495 VanDerWaalsContact CE2-CG 3.47Å; Y471-P495 HydrophobicContact CG-CG 4.46Å |
| 472 | V | 69 | Low | 70 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -137.3 | 139.9 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 108 | L417 L466 D476 L477 | L417-V472 HydrophobicContact CD2-CG1 4.18Å; L417-V472 HydrophobicContact CD2-CG2 3.71Å; L466-V472 HydrophobicContact CB-CG2 4.31Å; L466-V472 PolarHBondContact O-N 2.84Å; V472-D476 HydrophobicContact CG1-CB 3.62Å; V472-L477 HydrophobicContact CG1-CD2 4.01Å; V472-L477 HydrophobicContact CG1-CG 4.3Å |
| 473 | N | 70.1 | Confident | 68.7 | Low | 100 Ų | 100 | 74.2 Ų | 74.2 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | trans | -81.8 | 153.1 | 175.8 | -165.5 | 3.1 | 0 | 0 | 0 | 110.6 | T475 D476 L477 | N473-T475 PolarHBondContact ND2-OG1 3Å; N473-T475 PolarHBondContact O-N 2.89Å; N473-D476 PolarHBondContact N-OD2 3.36Å; N473-D476 WeakPolarHBondContact O-CA 3.36Å; N473-D476 WeakPolarHBondContact O-CB 3.26Å; N473-D476 PolarHBondContact O-N 2.91Å; N473-L477 PolarHBondContact O-N 3.47Å | ||
| 474 | E | 70.1 | Confident | 67.6 | Low | 137 Ų | 137 | 81.4 Ų | 81.4 | 64% | 0.64 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.8 | -38.2 | 177.6 | -74.7 | -173.1 | 166.5 | 0 | 0 | 112.3 | V467 D476 L477 V478 | V467-E474 HydrophobicContact CG1-CG 3.73Å; E474-D476 VanDerWaalsContact C-N 3.28Å; E474-D476 PolarHBondContact O-N 3.25Å; E474-L477 WeakPolarHBondContact O-CB 3.43Å; E474-L477 PolarHBondContact O-N 2.94Å; E474-V478 WeakPolarHBondContact O-CG2 2.97Å; E474-V478 PolarHBondContact O-N 3.47Å; E474-V478 VanDerWaalsContact O-N 3.07Å |
| 475 | T | 70.3 | Confident | 66.3 | Low | 79 Ų | 79 | 74.9 Ų | 74.9 | 49% | 0.485 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 175.2 | 40.9 | 0 | 0 | 0 | 0 | 113 | N473 V478 N479 | N473-T475 PolarHBondContact ND2-OG1 3Å; N473-T475 PolarHBondContact O-N 2.89Å; T475-V478 PolarHBondContact O-N 3.07Å; T475-N479 VanDerWaalsContact O-CG 3.31Å; T475-N479 PolarHBondContact O-N 2.95Å; T475-N479 VanDerWaalsContact O-N 3.15Å; T475-N479 PolarHBondContact O-ND2 3.3Å |
| 476 | D | 65.5 | Low | 64.9 | Low | 50 Ų | 50 | 77.9 Ų | 77.9 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 177.6 | -62.2 | -32.9 | 0 | 0 | 0 | 110.5 | V472 N473 E474 N479 L480 V489 | V472-D476 HydrophobicContact CG1-CB 3.62Å; N473-D476 PolarHBondContact N-OD2 3.36Å; N473-D476 WeakPolarHBondContact O-CA 3.36Å; N473-D476 WeakPolarHBondContact O-CB 3.26Å; N473-D476 PolarHBondContact O-N 2.91Å; E474-D476 VanDerWaalsContact C-N 3.28Å; E474-D476 PolarHBondContact O-N 3.25Å; D476-N479 PolarHBondContact O-N 3.39Å; D476-L480 WeakPolarHBondContact O-CD1 3.42Å; D476-L480 PolarHBondContact O-N 3.47Å; D476-V489 HydrophobicContact CB-CG2 4.06Å |
| 477 | L | 65.2 | Low | 63.8 | Low | 25 Ų | 25 | 77.9 Ų | 77.9 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 172 | -70.8 | -168.4 | 0 | 0 | 0 | 112.4 | F463 V467 V472 N473 E474 N479 L480 F481 | F463-L477 HydrophobicContact CB-CD1 4.08Å; F463-L477 HydrophobicContact CB-CD2 4.03Å; F463-L477 HydrophobicContact CD1-CD2 3.26Å; F463-L477 HydrophobicContact CE1-CD2 3.76Å; F463-L477 HydrophobicContact CG-CD2 3.85Å; V467-L477 HydrophobicContact CG2-CD1 3.25Å; V467-L477 HydrophobicContact CG2-CD2 4.49Å; V467-L477 HydrophobicContact CG2-CG 3.73Å; V472-L477 HydrophobicContact CG1-CD2 4.01Å; V472-L477 HydrophobicContact CG1-CG 4.3Å; N473-L477 PolarHBondContact O-N 3.47Å; E474-L477 WeakPolarHBondContact O-CB 3.43Å; E474-L477 PolarHBondContact O-N 2.94Å; L477-N479 PolarHBondContact O-N 3.48Å; L477-L480 WeakPolarHBondContact O-CB 3.45Å; L477-L480 PolarHBondContact O-N 3.03Å; L477-F481 WeakPolarHBondContact O-CD2 3.21Å; L477-F481 PolarHBondContact O-N 3.2Å |
| 478 | V | 65.8 | Low | 62.8 | Low | 102 Ų | 102 | 84.4 Ų | 84.4 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | E474 T475 F481 S482 | E474-V478 WeakPolarHBondContact O-CG2 2.97Å; E474-V478 PolarHBondContact O-N 3.47Å; E474-V478 VanDerWaalsContact O-N 3.07Å; T475-V478 PolarHBondContact O-N 3.07Å; V478-F481 PolarHBondContact O-N 2.73Å; V478-S482 PolarHBondContact O-N 3.41Å |
| 479 | N | 64.3 | Low | 61.7 | Low | 79 Ų | 79 | 80.4 Ų | 80.4 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.5 | -70.5 | -29 | 0 | 0 | 0 | 111.8 | T475 D476 L477 F481 S482 G485 | T475-N479 VanDerWaalsContact O-CG 3.31Å; T475-N479 PolarHBondContact O-N 2.95Å; T475-N479 VanDerWaalsContact O-N 3.15Å; T475-N479 PolarHBondContact O-ND2 3.3Å; D476-N479 PolarHBondContact O-N 3.39Å; L477-N479 PolarHBondContact O-N 3.48Å; N479-F481 VanDerWaalsContact C-N 3.27Å; N479-F481 PolarHBondContact O-N 3.24Å; N479-S482 PolarHBondContact O-N 3.21Å; N479-S482 PolarHBondContact O-OG 2.93Å; N479-G485 WeakPolarHBondContact O-CA 3.48Å |
| 480 | L | 61.5 | Low | 60.7 | Low | 8 Ų | 8 | 84.3 Ų | 84.3 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56.2 | -37.8 | 177.7 | -107.9 | 117.5 | 0 | 0 | 0 | 113.6 | L417 K418 F463 D476 L477 | L417-L480 HydrophobicContact CB-CD1 4.44Å; L417-L480 HydrophobicContact CD2-CD1 3.65Å; L417-L480 HydrophobicContact CG-CD1 4.04Å; L417-L480 HydrophobicContact CG-CD2 4.26Å; K418-L480 HydrophobicContact CB-CD2 3.77Å; K418-L480 HydrophobicContact CB-CG 4.29Å; K418-L480 HydrophobicContact CG-CD2 4.27Å; F463-L480 HydrophobicContact CE1-CD2 4.27Å; F463-L480 HydrophobicContact CZ-CD2 4.03Å; D476-L480 WeakPolarHBondContact O-CD1 3.42Å; D476-L480 PolarHBondContact O-N 3.47Å; L477-L480 WeakPolarHBondContact O-CB 3.45Å; L477-L480 PolarHBondContact O-N 3.03Å |
| 481 | F | 61.1 | Low | 59.8 | Low | 119 Ų | 119 | 77.8 Ų | 77.8 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -90.5 | -7.9 | -178.7 | -68.4 | -70.9 | 0 | 0 | 0 | 114.8 | F463 L477 V478 N479 | F463-F481 HydrophobicContact CD2-CE2 4Å; F463-F481 AromaticContact CD2-CZ 3.51Å; F463-F481 HydrophobicContact CD2-CZ 3.51Å; F463-F481 HydrophobicContact CE2-CE1 4.14Å; F463-F481 HydrophobicContact CE2-CE2 4.01Å; F463-F481 AromaticContact CE2-CZ 3.35Å; F463-F481 HydrophobicContact CE2-CZ 3.35Å; F463-F481 HydrophobicContact CG-CZ 4.43Å; F463-F481 HydrophobicContact CZ-CZ 4.16Å; L477-F481 WeakPolarHBondContact O-CD2 3.21Å; L477-F481 PolarHBondContact O-N 3.2Å; V478-F481 PolarHBondContact O-N 2.73Å; N479-F481 VanDerWaalsContact C-N 3.27Å; N479-F481 PolarHBondContact O-N 3.24Å |
| 482 | S | 60.8 | Low | 58.9 | Low | 46 Ų | 46 | 81.3 Ų | 81.3 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -72.2 | 136.6 | 173.1 | 70.6 | 0 | 0 | 0 | 0 | 110.5 | V478 N479 N484 G485 | V478-S482 PolarHBondContact O-N 3.41Å; N479-S482 PolarHBondContact O-N 3.21Å; N479-S482 PolarHBondContact O-OG 2.93Å; S482-N484 PolarHBondContact O-N 3.45Å; S482-G485 PolarHBondContact O-N 3.18Å; S482-G485 WeakPolarHBondContact OG-CA 3.13Å; S482-G485 PolarHBondContact OG-N 3.22Å; S482-G485 VanDerWaalsContact OG-N 3.12Å |
| 483 | E | 55 | Low | 57.9 | Low | 192 Ų | 192 | 88.1 Ų | 88.1 | 90% | 0.897 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.5 | -177.8 | -73.8 | -175.8 | 154.1 | 0 | 0 | 113 | ||
| 484 | N | 53.9 | Low | 57.1 | Low | 158 Ų | 158 | 84.3 Ų | 84.3 | 85% | 0.845 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 12 | -179.9 | -68.7 | -31.4 | 0 | 0 | 0 | 114.3 | S482 S486 | S482-N484 PolarHBondContact O-N 3.45Å; N484-S486 PolarHBondContact O-N 2.7Å |
| 485 | G | 50.1 | Low | 56.2 | Low | 14 Ų | 14 | 78.3 Ų | 78.3 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | trans | -78.9 | 110.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N479 S482 | N479-G485 WeakPolarHBondContact O-CA 3.48Å; S482-G485 PolarHBondContact O-N 3.18Å; S482-G485 WeakPolarHBondContact OG-CA 3.13Å; S482-G485 PolarHBondContact OG-N 3.22Å; S482-G485 VanDerWaalsContact OG-N 3.12Å | ||
| 486 | S | 47.8 | Very low | 55.3 | Low | 96 Ų | 96 | 77.8 Ų | 77.8 | 67% | 0.671 | 40% | 0.402 | S | S | * | . | trans | -87.2 | 99.6 | 163 | 66.8 | 0 | 0 | 0 | 0 | 109.4 | N484 | N484-S486 PolarHBondContact O-N 2.7Š| ||
| 487 | S | 49.9 | Very low | 54.2 | Low | 8 Ų | 8 | 79.5 Ų | 79.5 | 6% | 0.056 | 41% | 0.41 | C | S | . | . | trans | -88.3 | 105.3 | 170 | 150.9 | 0 | 0 | 0 | 0 | 108.9 | V489 | S487-V489 PolarHBondContact O-N 3.13Å; S487-V489 WeakPolarHBondContact OG-CB 3.4Å; S487-V489 WeakPolarHBondContact OG-CG2 3.4Å; S487-V489 PolarHBondContact OG-N 2.92Å | ||
| 488 | K | 52.1 | Low | 53.5 | Low | 162 Ų | 162 | 79.5 Ų | 79.5 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | trans | -73.2 | 22 | 168.1 | -69.9 | -172.6 | 177.9 | -179.4 | 0 | 113.1 | W490 | K488-W490 PolarHBondContact O-N 3.33Å; K488-W490 PolarHBondContact O-NE1 3.22Å | ||
| 489 | V | 53.7 | Low | 52.8 | Low | 30 Ų | 30 | 77.6 Ų | 77.6 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | trans | -75.7 | 108.2 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | L417 D476 S487 | L417-V489 HydrophobicContact CB-CB 4.35Å; L417-V489 VanDerWaalsContact CB-O 3.31Å; L417-V489 WeakPolarHBondContact CB-O 3.36Å; L417-V489 HydrophobicContact CD2-CB 4.22Å; L417-V489 HydrophobicContact CD2-CG1 3.98Å; L417-V489 PolarHBondContact N-O 2.83Å; L417-V489 VanDerWaalsContact N-O 3.13Å; D476-V489 HydrophobicContact CB-CG2 4.06Å; S487-V489 PolarHBondContact O-N 3.13Å; S487-V489 WeakPolarHBondContact OG-CB 3.4Å; S487-V489 WeakPolarHBondContact OG-CG2 3.4Å; S487-V489 PolarHBondContact OG-N 2.92Å | ||
| 490 | W | 51.8 | Low | 51.9 | Low | 128 Ų | 128 | 79.8 Ų | 79.8 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 140.4 | 177.9 | -64 | 89.9 | 0 | 0 | 0 | 110.5 | N414 K488 Q492 | N414-W490 WeakPolarHBondContact O-CZ3 3.41Å; K488-W490 PolarHBondContact O-N 3.33Å; K488-W490 PolarHBondContact O-NE1 3.22Å; W490-Q492 PolarHBondContact O-N 3.09Å |
| 491 | A | 50.1 | Low | 51 | Low | 13 Ų | 13 | 80.1 Ų | 80.1 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -57.6 | -12.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L420 K493 L494 | L420-A491 HydrophobicContact CD2-CB 3.8Å; A491-K493 PolarHBondContact O-N 3.4Å; A491-L494 HydrophobicContact CB-CD1 4.2Å; A491-L494 WeakPolarHBondContact O-CB 3.4Å; A491-L494 PolarHBondContact O-N 3.15Å |
| 492 | Q | 49.1 | Very low | 50.4 | Low | 153 Ų | 153 | 75.6 Ų | 75.6 | 72% | 0.715 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -56.2 | -18.8 | 179 | -68.4 | -176.3 | -9.5 | 0 | 0 | 114.6 | V413 W490 | V413-Q492 HydrophobicContact CG1-CG 4.15Å; W490-Q492 PolarHBondContact O-N 3.09Å |
| 493 | K | 48.3 | Very low | 49.6 | Very low | 151 Ų | 151 | 77 Ų | 77 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -90.4 | -8.7 | 174.8 | -78 | -171.4 | 176.4 | -176.1 | 0 | 114.8 | Y471 A491 | Y471-K493 WeakPolarHBondContact CD1-O 3.44Å; A491-K493 PolarHBondContact O-N 3.4Å |
| 494 | L | 52.8 | Low | 48.8 | Very low | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -68.8 | 138.1 | 177.9 | -80.7 | 159.2 | 0 | 0 | 0 | 109.7 | L417 L420 L466 A491 S496 I498 | L417-L494 HydrophobicContact CD1-CD1 3.74Å; L417-L494 HydrophobicContact CD1-CD2 4.49Å; L417-L494 HydrophobicContact CD1-CG 4.33Å; L420-L494 HydrophobicContact CD2-CD1 3.31Å; L466-L494 HydrophobicContact CD1-CD2 3.81Å; L466-L494 HydrophobicContact CD2-CD2 3.38Å; L466-L494 HydrophobicContact CG-CD2 4.25Å; A491-L494 HydrophobicContact CB-CD1 4.2Å; A491-L494 WeakPolarHBondContact O-CB 3.4Å; A491-L494 PolarHBondContact O-N 3.15Å; L494-S496 PolarHBondContact O-N 3.15Å; L494-I498 HydrophobicContact CD2-CD1 4.04Å |
| 495 | P | 51.3 | Low | 48.3 | Very low | 11 Ų | 11 | 66.6 Ų | 66.6 | 7% | 0.071 | 33% | 0.332 | C | S | . | . | trans | -57.1 | 136.5 | 179.5 | 19.2 | -27.9 | 0 | 0 | 0 | 109.3 | Y471 I497 I498 | Y471-P495 HydrophobicContact CD2-CG 3.94Å; Y471-P495 HydrophobicContact CE1-CB 4.01Å; Y471-P495 HydrophobicContact CE1-CG 4.13Å; Y471-P495 HydrophobicContact CE2-CB 3.99Å; Y471-P495 HydrophobicContact CE2-CG 3.47Å; Y471-P495 VanDerWaalsContact CE2-CG 3.47Å; Y471-P495 HydrophobicContact CG-CG 4.46Å; P495-I497 HydrophobicContact CB-CB 4.26Å; P495-I497 PolarHBondContact O-N 3.3Å; P495-I498 HydrophobicContact CG-CD1 4.03Å; P495-I498 HydrophobicContact CG-CG1 4.14Å; P495-I498 PolarHBondContact O-N 3.5Å | ||
| 496 | S | 51.3 | Low | 47.8 | Very low | 68 Ų | 68 | 66.3 Ų | 66.3 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -48.5 | -19.2 | 167.2 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | L494 K500 | L494-S496 PolarHBondContact O-N 3.15Å; S496-K500 WeakPolarHBondContact O-CA 3.48Å; S496-K500 WeakPolarHBondContact O-CB 3.32Å; S496-K500 WeakPolarHBondContact O-CD 3.2Å; S496-K500 WeakPolarHBondContact O-CG 3.26Å; S496-K500 PolarHBondContact O-N 3.18Å |
| 497 | I | 42.9 | Very low | 47.1 | Very low | 86 Ų | 86 | 67.8 Ų | 67.8 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 174.2 | -80.3 | 167.3 | 0 | 0 | 0 | 113.9 | C442 P495 K500 A501 | C442-I497 HydrophobicContact CB-CG2 4.05Å; C442-I497 WeakPolarHBondContact SG-CG2 3.39Å; P495-I497 HydrophobicContact CB-CB 4.26Å; P495-I497 PolarHBondContact O-N 3.3Å; I497-K500 PolarHBondContact O-N 3.17Å; I497-A501 WeakPolarHBondContact O-CA 3.4Å; I497-A501 WeakPolarHBondContact O-CB 3.42Å; I497-A501 PolarHBondContact O-N 3.03Å |
| 498 | I | 50 | Low | 46.1 | Very low | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.6 | -42.8 | 175.4 | -69.9 | 170.2 | 0 | 0 | 0 | 108.9 | L466 L494 P495 K500 A501 L502 | L466-I498 HydrophobicContact CD2-CD1 3.53Å; L466-I498 HydrophobicContact CG-CD1 4.37Å; L494-I498 HydrophobicContact CD2-CD1 4.04Å; P495-I498 HydrophobicContact CG-CD1 4.03Å; P495-I498 HydrophobicContact CG-CG1 4.14Å; P495-I498 PolarHBondContact O-N 3.5Å; I498-K500 PolarHBondContact O-N 3.46Å; I498-A501 PolarHBondContact O-N 2.84Å; I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 WeakPolarHBondContact O-CD1 3.38Å; I498-L502 WeakPolarHBondContact O-CG 3.49Å; I498-L502 PolarHBondContact O-N 3.12Å |
| 499 | L | 52.1 | Low | 45.2 | Very low | 63 Ų | 63 | 68 Ų | 68 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.1 | -68.8 | 169.8 | 0 | 0 | 0 | 111.9 | L502 D503 | L499-L502 CarbonylContact O-C 3.59Å; L499-L502 WeakPolarHBondContact O-CB 3.32Å; L499-L502 PolarHBondContact O-N 3.22Å; L499-D503 VanDerWaalsContact O-CG 3.25Å; L499-D503 PolarHBondContact O-N 2.97Å |
| 500 | K | 45.4 | Very low | 44.8 | Very low | 125 Ų | 125 | 70 Ų | 70 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.6 | -29.9 | 175.6 | -79.5 | 169.8 | 178.6 | 179.2 | 0 | 113 | S496 I497 I498 L502 D503 Y504 | S496-K500 WeakPolarHBondContact O-CA 3.48Å; S496-K500 WeakPolarHBondContact O-CB 3.32Å; S496-K500 WeakPolarHBondContact O-CD 3.2Å; S496-K500 WeakPolarHBondContact O-CG 3.26Å; S496-K500 PolarHBondContact O-N 3.18Å; I497-K500 PolarHBondContact O-N 3.17Å; I498-K500 PolarHBondContact O-N 3.46Å; K500-L502 VanDerWaalsContact C-N 3.31Å; K500-D503 PolarHBondContact O-N 3.27Å; K500-Y504 WeakPolarHBondContact O-CB 3.32Å; K500-Y504 PolarHBondContact O-N 3Å |
| 501 | A | 42.3 | Very low | 44.4 | Very low | 14 Ų | 14 | 66.9 Ų | 66.9 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A438 I497 I498 Y504 F505 | A438-A501 HydrophobicContact CB-CB 4.25Å; I497-A501 WeakPolarHBondContact O-CA 3.4Å; I497-A501 WeakPolarHBondContact O-CB 3.42Å; I497-A501 PolarHBondContact O-N 3.03Å; I498-A501 PolarHBondContact O-N 2.84Å; A501-Y504 WeakPolarHBondContact O-CB 3.44Å; A501-Y504 PolarHBondContact O-N 3.13Å; A501-F505 HydrophobicContact CB-CE2 4.5Å; A501-F505 WeakPolarHBondContact O-CD2 3.33Å; A501-F505 PolarHBondContact O-N 3.07Å |
| 502 | L | 47.9 | Very low | 44.1 | Very low | 25 Ų | 25 | 69.9 Ų | 69.9 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 173.2 | -62.6 | 164.7 | 0 | 0 | 0 | 111.9 | I424 F430 I498 L499 K500 F505 G506 | I424-L502 HydrophobicContact CD1-CD1 3.75Å; I424-L502 HydrophobicContact CG1-CD1 3.99Å; I424-L502 HydrophobicContact CG1-CD2 4.27Å; I424-L502 HydrophobicContact CG2-CD2 4.43Å; F430-L502 HydrophobicContact CD1-CD2 4.48Å; F430-L502 HydrophobicContact CD2-CD2 4.11Å; F430-L502 HydrophobicContact CE1-CD2 3.87Å; F430-L502 HydrophobicContact CE2-CD2 3.45Å; F430-L502 VanDerWaalsContact CE2-CD2 3.45Å; F430-L502 HydrophobicContact CZ-CD2 3.31Å; F430-L502 HydrophobicContact CZ-CG 4.47Å; I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 WeakPolarHBondContact O-CD1 3.38Å; I498-L502 WeakPolarHBondContact O-CG 3.49Å; I498-L502 PolarHBondContact O-N 3.12Å; L499-L502 CarbonylContact O-C 3.59Å; L499-L502 WeakPolarHBondContact O-CB 3.32Å; L499-L502 PolarHBondContact O-N 3.22Å; K500-L502 VanDerWaalsContact C-N 3.31Å; L502-F505 PolarHBondContact O-N 3.2Å; L502-G506 PolarHBondContact O-N 3.45Å |
| 503 | D | 43.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 172.6 | -66.5 | -24.8 | 0 | 0 | 0 | 111.1 | L499 K500 F505 G506 D507 | L499-D503 VanDerWaalsContact O-CG 3.25Å; L499-D503 PolarHBondContact O-N 2.97Å; K500-D503 PolarHBondContact O-N 3.27Å; D503-F505 VanDerWaalsContact C-N 3.27Å; D503-F505 PolarHBondContact O-N 2.97Å; D503-G506 CarbonylContact O-C 3.54Å; D503-G506 WeakPolarHBondContact O-CA 3.15Å; D503-G506 PolarHBondContact O-N 2.97Å; D503-D507 PolarHBondContact O-N 3.2Å |
| 504 | Y | 37.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 59.6 Ų | 59.6 | 48% | 0.478 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -32.4 | 176.8 | -167.7 | -85.7 | 0 | 0 | 0 | 111.6 | K500 A501 F508 | K500-Y504 WeakPolarHBondContact O-CB 3.32Å; K500-Y504 PolarHBondContact O-N 3Å; A501-Y504 WeakPolarHBondContact O-CB 3.44Å; A501-Y504 PolarHBondContact O-N 3.13Å; Y504-F508 HydrophobicContact CD1-CD2 4.22Å; Y504-F508 HydrophobicContact CD1-CE2 4.27Å; Y504-F508 AromaticContact CE1-CD2 3.97Å; Y504-F508 HydrophobicContact CE1-CD2 3.97Å; Y504-F508 AromaticContact CE1-CE2 3.66Å; Y504-F508 HydrophobicContact CE1-CE2 3.66Å; Y504-F508 HydrophobicContact CE1-CZ 4.36Å; Y504-F508 HydrophobicContact CE2-CE2 4.06Å; Y504-F508 AromaticContact CZ-CE2 3.53Å; Y504-F508 WeakPolarHBondContact O-CD2 3.49Å |
| 505 | F | 43.2 | Very low | 42.9 | Very low | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.8 | -27.2 | 171.5 | -69.9 | -68.9 | 0 | 0 | 0 | 112.6 | F430 S434 K437 A438 A501 L502 D503 F508 C509 | F430-F505 HydrophobicContact CD1-CB 4.44Å; F430-F505 HydrophobicContact CE1-CB 4.29Å; S434-F505 VanDerWaalsContact O-CZ 3.27Å; S434-F505 WeakPolarHBondContact O-CZ 3.48Å; K437-F505 HydrophobicContact CB-CZ 4.23Å; K437-F505 HydrophobicContact CD-CE1 4.31Å; K437-F505 HydrophobicContact CD-CZ 4.42Å; K437-F505 HydrophobicContact CG-CZ 4.27Å; A438-F505 HydrophobicContact CB-CD2 4.14Å; A438-F505 HydrophobicContact CB-CE2 3.32Å; A438-F505 HydrophobicContact CB-CZ 3.99Å; A501-F505 HydrophobicContact CB-CE2 4.5Å; A501-F505 WeakPolarHBondContact O-CD2 3.33Å; A501-F505 PolarHBondContact O-N 3.07Å; L502-F505 PolarHBondContact O-N 3.2Å; D503-F505 VanDerWaalsContact C-N 3.27Å; D503-F505 PolarHBondContact O-N 2.97Å; F505-F508 PolarHBondContact O-N 2.79Å; F505-C509 PolarHBondContact O-N 3.37Å; F505-C509 PolarHBondContact O-SG 2.74Å |
| 506 | G | 40.1 | Very low | 42.3 | Very low | 9 Ų | 9 | 65.9 Ų | 65.9 | 9% | 0.093 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | L502 D503 F508 | L502-G506 PolarHBondContact O-N 3.45Å; D503-G506 CarbonylContact O-C 3.54Å; D503-G506 WeakPolarHBondContact O-CA 3.15Å; D503-G506 PolarHBondContact O-N 2.97Å; G506-F508 VanDerWaalsContact C-N 3.34Å |
| 507 | D | 32.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 65.8 Ų | 65.8 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -80 | -13.8 | 176.6 | -76.6 | -20.9 | 0 | 0 | 0 | 113.5 | D503 | D503-D507 PolarHBondContact O-N 3.2Š|
| 508 | F | 30.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 64.1 Ų | 64.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | trans | -106.3 | -1.3 | 179.7 | -85.1 | -95.6 | 0 | 0 | 0 | 113.9 | Y504 F505 G506 | Y504-F508 HydrophobicContact CD1-CD2 4.22Å; Y504-F508 HydrophobicContact CD1-CE2 4.27Å; Y504-F508 AromaticContact CE1-CD2 3.97Å; Y504-F508 HydrophobicContact CE1-CD2 3.97Å; Y504-F508 AromaticContact CE1-CE2 3.66Å; Y504-F508 HydrophobicContact CE1-CE2 3.66Å; Y504-F508 HydrophobicContact CE1-CZ 4.36Å; Y504-F508 HydrophobicContact CE2-CE2 4.06Å; Y504-F508 AromaticContact CZ-CE2 3.53Å; Y504-F508 WeakPolarHBondContact O-CD2 3.49Å; F505-F508 PolarHBondContact O-N 2.79Å; G506-F508 VanDerWaalsContact C-N 3.34Å | ||
| 509 | C | 32.6 | Very low | 40.7 | Very low | 60 Ų | 60 | 67.6 Ų | 67.6 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | trans | -103.7 | 0 | 170.5 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | C20 L408 F505 | C20-C509 VanDerWaalsContact SG-CA 3.57Å; L408-C509 HydrophobicContact CD1-CB 4.39Å; F505-C509 PolarHBondContact O-N 3.37Å; F505-C509 PolarHBondContact O-SG 2.74Å |
Retrieved 509 of 509 residues in 306.5 ms
(Link to these results)