| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 89 | Confident | 93.1 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 23% | 0.232 | 29% | 0.288 | C | S | . | . | 0 | -42.7 | 0 | -64.9 | -48.1 | -66.2 | 0 | 0 | 112.9 | V3 Y4 T5 V151 I154 P173 | M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 2.64Å; M1-V3 VanDerWaalsContact O-N 3.16Å; M1-Y4 WeakPolarHBondContact O-CA 3.47Å; M1-Y4 WeakPolarHBondContact O-CB 3.37Å; M1-Y4 PolarHBondContact O-N 3.49Å; M1-Y4 HydrophobicContact SD-CD2 4.36Å; M1-T5 PolarHBondContact O-N 2.57Å; M1-V151 HydrophobicContact CE-CB 4.05Å; M1-V151 HydrophobicContact CE-CG1 3.53Å; M1-V151 WeakPolarHBondContact CE-O 3.47Å; M1-I154 HydrophobicContact CE-CG2 4Å; M1-I154 HydrophobicContact SD-CG2 4.38Å; M1-P173 HydrophobicContact CG-CG 3.91Å; M1-P173 HydrophobicContact SD-CG 4.4Å | |||
| 2 | D | 90.2 | Very high | 93.5 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -52.5 | -38.6 | -178 | -58.5 | -21.2 | 0 | 0 | 0 | 115 | T5 S6 | D2-T5 PolarHBondContact O-N 3.26Å; D2-S6 WeakPolarHBondContact O-CB 3.44Å; D2-S6 PolarHBondContact O-N 3.14Å; D2-S6 PolarHBondContact O-OG 3.08Å |
| 3 | V | 89.6 | Confident | 93.5 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 174 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | M1 T5 S6 R7 T370 | M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 2.64Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-T5 PolarHBondContact O-N 2.98Å; V3-S6 PolarHBondContact O-N 3.3Å; V3-R7 WeakPolarHBondContact O-CG 3.42Å; V3-R7 PolarHBondContact O-N 3.1Å; V3-T370 HydrophobicContact CG2-CG2 3.97Å |
| 4 | Y | 93 | Very high | 93.5 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.7 | -67.6 | -70.8 | 0 | 0 | 0 | 112.1 | M1 S6 R7 F8 L132 I154 C276 | M1-Y4 WeakPolarHBondContact O-CA 3.47Å; M1-Y4 WeakPolarHBondContact O-CB 3.37Å; M1-Y4 PolarHBondContact O-N 3.49Å; M1-Y4 HydrophobicContact SD-CD2 4.36Å; Y4-S6 VanDerWaalsContact C-N 3.35Å; Y4-S6 PolarHBondContact O-N 3.39Å; Y4-R7 PolarHBondContact O-N 2.89Å; Y4-F8 VanDerWaalsContact O-CB 3.22Å; Y4-F8 WeakPolarHBondContact O-CB 3.5Å; Y4-F8 PolarHBondContact O-N 3.28Å; Y4-L132 WeakPolarHBondContact CD1-O 3.44Å; Y4-L132 WeakPolarHBondContact CE1-O 3.22Å; Y4-I154 HydrophobicContact CD1-CG2 3.9Å; Y4-I154 HydrophobicContact CD2-CG2 3.62Å; Y4-I154 HydrophobicContact CE1-CG2 4.16Å; Y4-I154 HydrophobicContact CE2-CD1 3.79Å; Y4-I154 HydrophobicContact CE2-CG2 3.9Å; Y4-I154 HydrophobicContact CG-CG2 3.63Å; Y4-C276 HydrophobicContact CE2-CB 4.48Å |
| 5 | T | 95.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 175.2 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | M1 D2 V3 F8 R9 V151 | M1-T5 PolarHBondContact O-N 2.57Å; D2-T5 PolarHBondContact O-N 3.26Å; V3-T5 PolarHBondContact O-N 2.98Å; T5-F8 PolarHBondContact O-N 3.37Å; T5-R9 WeakPolarHBondContact O-CG 3.09Å; T5-R9 PolarHBondContact O-N 3.49Å; T5-V151 PolarHBondContact OG1-N 3.33Å |
| 6 | S | 93.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 179.9 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | D2 V3 Y4 F8 R9 L10 | D2-S6 WeakPolarHBondContact O-CB 3.44Å; D2-S6 PolarHBondContact O-N 3.14Å; D2-S6 PolarHBondContact O-OG 3.08Å; V3-S6 PolarHBondContact O-N 3.3Å; Y4-S6 VanDerWaalsContact C-N 3.35Å; Y4-S6 PolarHBondContact O-N 3.39Å; S6-F8 PolarHBondContact O-N 3.45Å; S6-R9 PolarHBondContact O-N 3.1Å; S6-L10 WeakPolarHBondContact O-CG 3.22Å; S6-L10 PolarHBondContact O-N 3.41Å |
| 7 | R | 93.1 | Very high | 94.1 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 177.3 | -69.2 | -178.6 | 178.4 | 168.1 | 2.1 | 112.7 | V3 Y4 L10 S11 L132 E371 E373 | V3-R7 WeakPolarHBondContact O-CG 3.42Å; V3-R7 PolarHBondContact O-N 3.1Å; Y4-R7 PolarHBondContact O-N 2.89Å; R7-L10 PolarHBondContact O-N 3.46Å; R7-S11 WeakPolarHBondContact O-CB 3.3Å; R7-S11 PolarHBondContact O-N 3.48Å; R7-S11 PolarHBondContact O-OG 3.33Å; R7-L132 HydrophobicContact CB-CD1 3.32Å; R7-E371 PolarHBondContact NH1-O 3.16Å; R7-E371 PolarHBondContact NH2-O 3.35Å; R7-E373 IonicContact NE-OE1 3.16Å |
| 8 | F | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 178.4 | -179.3 | -93.3 | 0 | 0 | 0 | 111.6 | Y4 T5 S6 L10 S11 Y12 F35 L129 L132 F133 V144 M149 V151 | Y4-F8 VanDerWaalsContact O-CB 3.22Å; Y4-F8 WeakPolarHBondContact O-CB 3.5Å; Y4-F8 PolarHBondContact O-N 3.28Å; T5-F8 PolarHBondContact O-N 3.37Å; S6-F8 PolarHBondContact O-N 3.45Å; F8-L10 VanDerWaalsContact C-N 3.34Å; F8-L10 PolarHBondContact O-N 2.82Å; F8-S11 PolarHBondContact O-N 3.29Å; F8-Y12 HydrophobicContact CE1-CD2 4.25Å; F8-Y12 AromaticContact CZ-CD2 3.98Å; F8-Y12 HydrophobicContact CZ-CD2 3.98Å; F8-Y12 WeakPolarHBondContact O-CB 3.11Å; F8-Y12 PolarHBondContact O-N 3.13Å; F8-F35 AromaticContact CE1-CE1 3.95Å; F8-F35 HydrophobicContact CE1-CE1 3.95Å; F8-F35 HydrophobicContact CE1-CZ 4.25Å; F8-F35 AromaticContact CZ-CE1 3.81Å; F8-F35 HydrophobicContact CZ-CE1 3.81Å; F8-F35 AromaticContact CZ-CZ 3.63Å; F8-F35 HydrophobicContact CZ-CZ 3.63Å; F8-L129 HydrophobicContact CE2-CD2 4.41Å; F8-L132 HydrophobicContact CB-CD2 3.97Å; F8-L132 HydrophobicContact CD2-CD2 3.52Å; F8-L132 HydrophobicContact CE2-CD2 4.46Å; F8-L132 HydrophobicContact CG-CD2 4.2Å; F8-F133 HydrophobicContact CD2-CE1 4.22Å; F8-F133 HydrophobicContact CD2-CE2 4.11Å; F8-F133 AromaticContact CD2-CZ 3.44Å; F8-F133 HydrophobicContact CD2-CZ 3.44Å; F8-F133 VanDerWaalsContact CD2-CZ 3.44Å; F8-F133 HydrophobicContact CE2-CE2 4.3Å; F8-F133 AromaticContact CE2-CZ 3.88Å; F8-F133 HydrophobicContact CE2-CZ 3.88Å; F8-F133 HydrophobicContact CG-CZ 4.31Å; F8-V144 HydrophobicContact CD1-CG1 4.09Å; F8-V144 HydrophobicContact CE1-CG1 3.59Å; F8-V144 HydrophobicContact CE1-CG2 4.3Å; F8-V144 HydrophobicContact CE2-CG2 4.32Å; F8-V144 HydrophobicContact CZ-CG1 4.1Å; F8-V144 HydrophobicContact CZ-CG2 4.18Å; F8-M149 HydrophobicContact CD1-CB 4.44Å; F8-M149 HydrophobicContact CD1-CE 4.47Å; F8-M149 HydrophobicContact CE1-CB 4.48Å; F8-M149 HydrophobicContact CE1-CE 3.61Å; F8-M149 HydrophobicContact CE1-SD 4.46Å; F8-M149 HydrophobicContact CZ-CE 4.33Å; F8-V151 HydrophobicContact CB-CG2 3.63Å; F8-V151 HydrophobicContact CD1-CG2 4.35Å; F8-V151 HydrophobicContact CG-CG2 3.95Å |
| 9 | R | 96.6 | Very high | 94.2 | Very high | 115 Ų | 115 | 62.3 Ų | 62.3 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55 | -47.6 | 174.5 | -77.8 | 173.4 | -177 | 153.6 | 3.2 | 112.4 | T5 S6 Y12 S148 M149 | T5-R9 WeakPolarHBondContact O-CG 3.09Å; T5-R9 PolarHBondContact O-N 3.49Å; S6-R9 PolarHBondContact O-N 3.1Å; R9-Y12 PolarHBondContact O-N 3.18Å; R9-S148 VanDerWaalsContact CZ-O 3.29Å; R9-S148 PolarHBondContact NE-O 3.49Å; R9-S148 PolarHBondContact NH2-O 2.86Å; R9-M149 HydrophobicContact CG-CB 3.66Å |
| 10 | L | 93.5 | Very high | 94.2 | Very high | 130 Ų | 130 | 59.4 Ų | 59.4 | 68% | 0.681 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 178 | -67.5 | 172.3 | 0 | 0 | 0 | 112.1 | S6 R7 F8 | S6-L10 WeakPolarHBondContact O-CG 3.22Å; S6-L10 PolarHBondContact O-N 3.41Å; R7-L10 PolarHBondContact O-N 3.46Å; F8-L10 VanDerWaalsContact C-N 3.34Å; F8-L10 PolarHBondContact O-N 2.82Å |
| 11 | S | 94.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.7 | -27.1 | -178.7 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | R7 F8 E13 Y14 L15 K128 | R7-S11 WeakPolarHBondContact O-CB 3.3Å; R7-S11 PolarHBondContact O-N 3.48Å; R7-S11 PolarHBondContact O-OG 3.33Å; F8-S11 PolarHBondContact O-N 3.29Å; S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 2.84Å; S11-Y14 PolarHBondContact O-N 3.22Å; S11-Y14 VanDerWaalsContact O-N 3.09Å; S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.47Å; S11-K128 WeakPolarHBondContact OG-CE 3.46Å |
| 12 | Y | 97.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | -174.5 | -178.5 | -101.9 | 0 | 0 | 0 | 113.2 | F8 R9 Y14 L15 K16 Q32 F35 M149 | F8-Y12 HydrophobicContact CE1-CD2 4.25Å; F8-Y12 AromaticContact CZ-CD2 3.98Å; F8-Y12 HydrophobicContact CZ-CD2 3.98Å; F8-Y12 WeakPolarHBondContact O-CB 3.11Å; F8-Y12 PolarHBondContact O-N 3.13Å; R9-Y12 PolarHBondContact O-N 3.18Å; Y12-Y14 PolarHBondContact O-N 3.42Å; Y12-Y14 VanDerWaalsContact O-N 3.16Å; Y12-L15 CarbonylContact O-C 3.54Å; Y12-L15 PolarHBondContact O-N 3.03Å; Y12-K16 HydrophobicContact CD1-CB 4.23Å; Y12-K16 HydrophobicContact CE1-CB 3.77Å; Y12-K16 HydrophobicContact CE2-CB 4.35Å; Y12-K16 WeakPolarHBondContact O-CB 3.17Å; Y12-K16 PolarHBondContact O-N 3.25Å; Y12-Q32 WeakPolarHBondContact OH-CA 3.32Å; Y12-F35 AromaticContact CE2-CD1 3.9Å; Y12-F35 HydrophobicContact CE2-CD1 3.9Å; Y12-F35 AromaticContact CE2-CD2 3.99Å; Y12-F35 HydrophobicContact CE2-CD2 3.99Å; Y12-F35 HydrophobicContact CE2-CE1 4.08Å; Y12-F35 HydrophobicContact CE2-CE2 4.14Å; Y12-F35 AromaticContact CE2-CG 3.86Å; Y12-F35 HydrophobicContact CE2-CG 3.86Å; Y12-F35 HydrophobicContact CE2-CZ 4.2Å; Y12-F35 VanDerWaalsContact OH-CB 3.27Å; Y12-F35 WeakPolarHBondContact OH-CB 3.22Å; Y12-M149 HydrophobicContact CD1-CE 3.28Å; Y12-M149 HydrophobicContact CD2-CE 3.26Å; Y12-M149 HydrophobicContact CE1-CE 3.48Å; Y12-M149 VanDerWaalsContact CE1-CE 3.48Å; Y12-M149 HydrophobicContact CE2-CE 3.47Å; Y12-M149 VanDerWaalsContact CE2-CE 3.47Å; Y12-M149 HydrophobicContact CG-CE 3.13Å |
| 13 | E | 94.5 | Very high | 93.9 | Very high | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.8 | -32.5 | 176.4 | -70.2 | -56.4 | 128.7 | 0 | 0 | 112.9 | S11 K16 | S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 2.84Å; E13-K16 IonicContact OE2-NZ 2.74Å; E13-K16 PolarHBondContact OE2-NZ 3.39Å |
| 14 | Y | 92.9 | Very high | 93.4 | Very high | 163 Ų | 163 | 56.5 Ų | 56.5 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -85.6 | -21.3 | 176.1 | -55.3 | -83.2 | 0 | 0 | 0 | 113 | S11 Y12 | S11-Y14 PolarHBondContact O-N 3.22Å; S11-Y14 VanDerWaalsContact O-N 3.09Å; Y12-Y14 PolarHBondContact O-N 3.42Å; Y12-Y14 VanDerWaalsContact O-N 3.16Å |
| 15 | L | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -92.9 | -28.1 | -176.5 | -66.2 | 169.5 | 0 | 0 | 0 | 112.7 | S11 Y12 A17 T18 L31 A125 K128 L129 | S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.47Å; Y12-L15 CarbonylContact O-C 3.54Å; Y12-L15 PolarHBondContact O-N 3.03Å; L15-A17 PolarHBondContact O-N 3.01Å; L15-A17 VanDerWaalsContact O-N 3.09Å; L15-T18 WeakPolarHBondContact O-CB 2.95Å; L15-T18 PolarHBondContact O-N 3.39Å; L15-T18 PolarHBondContact O-OG1 3.17Å; L15-L31 HydrophobicContact CB-CD1 4.09Å; L15-L31 WeakPolarHBondContact O-CD1 3.41Å; L15-A125 HydrophobicContact CD2-CB 3.73Å; L15-K128 HydrophobicContact CD2-CB 4.17Å; L15-K128 HydrophobicContact CD2-CG 4.17Å; L15-L129 HydrophobicContact CD1-CD2 3.86Å; L15-L129 HydrophobicContact CD1-CG 4.23Å; L15-L129 HydrophobicContact CD2-CG 4.38Å |
| 16 | K | 97 | Very high | 91.5 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -34.2 | -168.7 | 70.9 | -174 | 177.9 | -174.4 | 0 | 114.4 | Y12 E13 T18 Q32 | Y12-K16 HydrophobicContact CD1-CB 4.23Å; Y12-K16 HydrophobicContact CE1-CB 3.77Å; Y12-K16 HydrophobicContact CE2-CB 4.35Å; Y12-K16 WeakPolarHBondContact O-CB 3.17Å; Y12-K16 PolarHBondContact O-N 3.25Å; E13-K16 IonicContact OE2-NZ 2.74Å; E13-K16 PolarHBondContact OE2-NZ 3.39Å; K16-T18 VanDerWaalsContact C-N 3.3Å; K16-T18 PolarHBondContact O-N 3.48Å; K16-Q32 HydrophobicContact CB-CB 4.06Å; K16-Q32 WeakPolarHBondContact O-CB 3.25Å; K16-Q32 PolarHBondContact O-N 2.82Å |
| 17 | A | 96.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 63% | 0.628 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L15 K19 | L15-A17 PolarHBondContact O-N 3.01Å; L15-A17 VanDerWaalsContact O-N 3.09Å; A17-K19 PolarHBondContact O-N 2.86Å |
| 18 | T | 96.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 75.3 Ų | 75.3 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | trans | -59.8 | 125.2 | 179.1 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | L15 K16 T30 L31 L118 A122 A125 | L15-T18 WeakPolarHBondContact O-CB 2.95Å; L15-T18 PolarHBondContact O-N 3.39Å; L15-T18 PolarHBondContact O-OG1 3.17Å; K16-T18 VanDerWaalsContact C-N 3.3Å; K16-T18 PolarHBondContact O-N 3.48Å; T18-T30 CarbonylContact O-C 3.51Å; T18-T30 VanDerWaalsContact O-CA 3.23Å; T18-T30 WeakPolarHBondContact O-CA 3.26Å; T18-L31 HydrophobicContact CG2-CD1 4.36Å; T18-L31 PolarHBondContact O-N 2.68Å; T18-L118 HydrophobicContact CG2-CD2 4.03Å; T18-A122 HydrophobicContact CG2-CB 3.58Å; T18-A125 HydrophobicContact CG2-CB 3.5Å; T18-A125 WeakPolarHBondContact OG1-CB 3.43Å | ||
| 19 | K | 95.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 75.8 Ų | 75.8 | 47% | 0.47 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.6 | 175.4 | -68.3 | -168 | 176.1 | -160.4 | 0 | 110.7 | A17 E28 S29 D119 | A17-K19 PolarHBondContact O-N 2.86Å; K19-E28 IonicContact NZ-OE1 3.82Å; K19-E28 PolarHBondContact NZ-OE1 2.94Å; K19-S29 WeakPolarHBondContact CA-O 3.34Å; K19-D119 HydrophobicContact CB-CB 3.73Å; K19-D119 WeakPolarHBondContact O-CB 3.44Å; K19-D119 PolarHBondContact O-N 3.32Å |
| 20 | V | 94 | Very high | 90.3 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.3 | 173.9 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | S29 L31 V34 V95 F116 S117 L118 | V20-S29 PolarHBondContact N-O 3.08Å; V20-L31 HydrophobicContact CG1-CD2 3.85Å; V20-L31 HydrophobicContact CG1-CG 3.93Å; V20-V34 HydrophobicContact CG2-CG2 3.81Å; V20-V95 HydrophobicContact CG1-CG1 4.24Å; V20-F116 HydrophobicContact CG2-CD1 4.03Å; V20-S117 CarbonylContact C-O 3.54Å; V20-S117 WeakPolarHBondContact CA-O 3.15Å; V20-S117 WeakPolarHBondContact CB-O 3.14Å; V20-L118 HydrophobicContact CG1-CD2 3.99Å |
| 21 | V | 91.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.8 | 178.9 | -179 | 0 | 0 | 0 | 0 | 108.6 | F116 S117 | V21-F116 CarbonylContact O-C 3.48Å; V21-F116 WeakPolarHBondContact O-CA 3.23Å; V21-S117 PolarHBondContact N-O 2.78Å; V21-S117 PolarHBondContact O-N 3.41Å |
| 22 | R | 90 | Very high | 90.7 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.1 | 173.5 | -175 | 170.9 | -179.7 | 158 | 14.6 | 109.7 | N24 K25 F116 | R22-N24 VanDerWaalsContact CG-OD1 3.22Å; R22-N24 WeakPolarHBondContact CG-OD1 3.42Å; R22-N24 PolarHBondContact NE-OD1 2.62Å; R22-K25 HydrophobicContact CG-CB 4.41Å; R22-K25 VanDerWaalsContact O-O 3.13Å; R22-F116 HydrophobicContact CB-CD1 3.8Å; R22-F116 HydrophobicContact CB-CE1 3.7Å; R22-F116 HydrophobicContact CG-CD1 4.14Å; R22-F116 HydrophobicContact CG-CE1 3.74Å; R22-F116 HydrophobicContact CG-CZ 4.17Å |
| 23 | H | 85.3 | Confident | 90.6 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -84.2 | -24.4 | -172.5 | -76 | -98 | 0 | 0 | 0 | 114.5 | L109 W115 S117 | H23-L109 HydrophobicContact CB-CD1 3.59Å; H23-W115 AromaticContact CD2-CD1 3.82Å; H23-W115 PolarHBondContact N-O 3.09Å; H23-S117 PolarHBondContact NE2-OG 3.06Å |
| 24 | N | 79.1 | Confident | 90.7 | Very high | 44 Ų | 44 | 67 Ų | 67 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -99 | -7.6 | -178.2 | 63.2 | -6.9 | 0 | 0 | 0 | 115.1 | R22 S111 L113 | R22-N24 VanDerWaalsContact CG-OD1 3.22Å; R22-N24 WeakPolarHBondContact CG-OD1 3.42Å; R22-N24 PolarHBondContact NE-OD1 2.62Å; N24-S111 WeakPolarHBondContact CB-O 3.42Å; N24-S111 PolarHBondContact ND2-O 3.31Å; N24-L113 PolarHBondContact ND2-O 3.02Å |
| 25 | K | 75.8 | Confident | 90.9 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -146.7 | 141.2 | -179.8 | -64.8 | -173.6 | -177.6 | 178.2 | 0 | 110.1 | R22 | R22-K25 HydrophobicContact CG-CB 4.41Å; R22-K25 VanDerWaalsContact O-O 3.13Å |
| 26 | L | 73.9 | Confident | 90.9 | Very high | 187 Ų | 187 | 63.9 Ų | 63.9 | 98% | 0.979 | 34% | 0.339 | S | S | * | . | trans | -70.2 | 135.5 | 168.7 | -73 | 159 | 0 | 0 | 0 | 109.9 | ||||
| 27 | G | 79.5 | Confident | 90.8 | Very high | 55 Ų | 55 | 64.7 Ų | 64.7 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | trans | 156 | 143.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | E | 84.1 | Confident | 90.7 | Very high | 159 Ų | 159 | 61.4 Ų | 61.4 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139 | 167.7 | -66.3 | -165.3 | 132 | 0 | 0 | 109.3 | K19 | K19-E28 IonicContact NZ-OE1 3.82Å; K19-E28 PolarHBondContact NZ-OE1 2.94Å |
| 29 | S | 93.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.5 | 173.5 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | K19 V20 | K19-S29 WeakPolarHBondContact CA-O 3.34Å; V20-S29 PolarHBondContact N-O 3.08Å |
| 30 | T | 96.7 | Very high | 90.7 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 161.6 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | T18 Q32 M33 V34 | T18-T30 CarbonylContact O-C 3.51Å; T18-T30 VanDerWaalsContact O-CA 3.23Å; T18-T30 WeakPolarHBondContact O-CA 3.26Å; T30-Q32 PolarHBondContact O-N 2.87Å; T30-M33 PolarHBondContact O-N 3.34Å; T30-M33 VanDerWaalsContact O-N 3.1Å; T30-M33 WeakPolarHBondContact OG1-CG 3.3Å; T30-M33 PolarHBondContact OG1-N 3.24Å; T30-V34 PolarHBondContact O-N 3.3Å; T30-V34 VanDerWaalsContact O-N 3.12Å |
| 31 | L | 97.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.4 | -36.5 | 171.3 | -80.4 | -178.6 | 0 | 0 | 0 | 111.7 | L15 T18 V20 V34 F35 V95 L118 | L15-L31 HydrophobicContact CB-CD1 4.09Å; L15-L31 WeakPolarHBondContact O-CD1 3.41Å; T18-L31 HydrophobicContact CG2-CD1 4.36Å; T18-L31 PolarHBondContact O-N 2.68Å; V20-L31 HydrophobicContact CG1-CD2 3.85Å; V20-L31 HydrophobicContact CG1-CG 3.93Å; L31-V34 PolarHBondContact O-N 2.9Å; L31-F35 HydrophobicContact CD2-CE2 4.49Å; L31-F35 WeakPolarHBondContact O-CD2 3.38Å; L31-F35 PolarHBondContact O-N 2.85Å; L31-V95 HydrophobicContact CD2-CG1 4.03Å; L31-V95 HydrophobicContact CD2-CG2 4.15Å; L31-L118 HydrophobicContact CD1-CD2 4.42Å; L31-L118 HydrophobicContact CD2-CD2 4.44Å |
| 32 | Q | 97.7 | Very high | 91.3 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.1 | -52.2 | 174.7 | -168.7 | 176.2 | -13.6 | 0 | 0 | 112.4 | Y12 K16 T30 V34 F35 D36 | Y12-Q32 WeakPolarHBondContact OH-CA 3.32Å; K16-Q32 HydrophobicContact CB-CB 4.06Å; K16-Q32 WeakPolarHBondContact O-CB 3.25Å; K16-Q32 PolarHBondContact O-N 2.82Å; T30-Q32 PolarHBondContact O-N 2.87Å; Q32-V34 VanDerWaalsContact C-N 3.27Å; Q32-V34 PolarHBondContact O-N 2.93Å; Q32-F35 PolarHBondContact O-N 2.74Å; Q32-D36 VanDerWaalsContact O-CG 3.3Å; Q32-D36 PolarHBondContact O-N 3.45Å |
| 33 | M | 96.5 | Very high | 91.6 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | -179.7 | -66.6 | 169 | 71.9 | 0 | 0 | 111.7 | T30 D36 E37 | T30-M33 PolarHBondContact O-N 3.34Å; T30-M33 VanDerWaalsContact O-N 3.1Å; T30-M33 WeakPolarHBondContact OG1-CG 3.3Å; T30-M33 PolarHBondContact OG1-N 3.24Å; M33-D36 PolarHBondContact O-N 3.44Å; M33-E37 WeakPolarHBondContact O-CB 3.26Å; M33-E37 WeakPolarHBondContact O-CG 3.34Å; M33-E37 PolarHBondContact O-N 2.98Å |
| 34 | V | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.4 | -178 | 0 | 0 | 0 | 0 | 111.2 | V20 T30 L31 Q32 D36 E37 Y38 V41 A93 V95 F116 | V20-V34 HydrophobicContact CG2-CG2 3.81Å; T30-V34 PolarHBondContact O-N 3.3Å; T30-V34 VanDerWaalsContact O-N 3.12Å; L31-V34 PolarHBondContact O-N 2.9Å; Q32-V34 VanDerWaalsContact C-N 3.27Å; Q32-V34 PolarHBondContact O-N 2.93Å; V34-D36 VanDerWaalsContact C-N 3.27Å; V34-D36 PolarHBondContact O-N 3.03Å; V34-E37 PolarHBondContact O-N 3.28Å; V34-Y38 HydrophobicContact CG1-CD2 3.98Å; V34-Y38 HydrophobicContact CG1-CE2 4.39Å; V34-Y38 VanDerWaalsContact O-CD2 3.27Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.04Å; V34-V41 HydrophobicContact CG1-CG1 4.36Å; V34-V41 HydrophobicContact CG1-CG2 3.84Å; V34-A93 HydrophobicContact CG1-CB 3.71Å; V34-V95 HydrophobicContact CG1-CG2 4.16Å; V34-F116 HydrophobicContact CG1-CD2 4.47Å; V34-F116 HydrophobicContact CG1-CE2 4.34Å; V34-F116 HydrophobicContact CG2-CD1 3.91Å; V34-F116 HydrophobicContact CG2-CD2 4.45Å; V34-F116 HydrophobicContact CG2-CE1 3.78Å; V34-F116 HydrophobicContact CG2-CE2 4.36Å; V34-F116 HydrophobicContact CG2-CG 4.25Å; V34-F116 HydrophobicContact CG2-CZ 4.02Å |
| 35 | F | 96.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -28.4 | 177.6 | -85.1 | -113.3 | 0 | 0 | 0 | 112.9 | F8 Y12 L31 Q32 V41 K89 V144 T146 M149 | F8-F35 AromaticContact CE1-CE1 3.95Å; F8-F35 HydrophobicContact CE1-CE1 3.95Å; F8-F35 HydrophobicContact CE1-CZ 4.25Å; F8-F35 AromaticContact CZ-CE1 3.81Å; F8-F35 HydrophobicContact CZ-CE1 3.81Å; F8-F35 AromaticContact CZ-CZ 3.63Å; F8-F35 HydrophobicContact CZ-CZ 3.63Å; Y12-F35 AromaticContact CE2-CD1 3.9Å; Y12-F35 HydrophobicContact CE2-CD1 3.9Å; Y12-F35 AromaticContact CE2-CD2 3.99Å; Y12-F35 HydrophobicContact CE2-CD2 3.99Å; Y12-F35 HydrophobicContact CE2-CE1 4.08Å; Y12-F35 HydrophobicContact CE2-CE2 4.14Å; Y12-F35 AromaticContact CE2-CG 3.86Å; Y12-F35 HydrophobicContact CE2-CG 3.86Å; Y12-F35 HydrophobicContact CE2-CZ 4.2Å; Y12-F35 VanDerWaalsContact OH-CB 3.27Å; Y12-F35 WeakPolarHBondContact OH-CB 3.22Å; L31-F35 HydrophobicContact CD2-CE2 4.49Å; L31-F35 WeakPolarHBondContact O-CD2 3.38Å; L31-F35 PolarHBondContact O-N 2.85Å; Q32-F35 PolarHBondContact O-N 2.74Å; F35-V41 HydrophobicContact CD2-CB 4.21Å; F35-V41 HydrophobicContact CD2-CG1 4.3Å; F35-V41 HydrophobicContact CD2-CG2 3.78Å; F35-V41 HydrophobicContact CE1-CB 4.44Å; F35-V41 HydrophobicContact CE2-CB 3.75Å; F35-V41 HydrophobicContact CE2-CG1 3.65Å; F35-V41 HydrophobicContact CE2-CG2 3.87Å; F35-V41 HydrophobicContact CG-CG2 4.16Å; F35-V41 HydrophobicContact CZ-CB 3.86Å; F35-V41 HydrophobicContact CZ-CG1 4.08Å; F35-V41 HydrophobicContact CZ-CG2 4.27Å; F35-K89 PolarHBondContact O-NZ 3.39Å; F35-V144 HydrophobicContact CE1-CB 4.39Å; F35-V144 HydrophobicContact CE1-CG1 3.87Å; F35-V144 HydrophobicContact CZ-CG1 4.4Å; F35-T146 HydrophobicContact CB-CG2 4.25Å; F35-T146 HydrophobicContact CD1-CG2 3.74Å; F35-T146 HydrophobicContact CE1-CG2 4.3Å; F35-T146 HydrophobicContact CG-CG2 4.09Å; F35-T146 VanDerWaalsContact O-CB 3.3Å; F35-T146 WeakPolarHBondContact O-CB 3.33Å; F35-T146 PolarHBondContact O-OG1 2.66Å; F35-M149 HydrophobicContact CD1-CE 3.69Å; F35-M149 HydrophobicContact CD1-SD 3.61Å; F35-M149 HydrophobicContact CE1-CE 3.76Å; F35-M149 HydrophobicContact CE1-SD 3.89Å |
| 36 | D | 95.4 | Very high | 93.5 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74 | -34.1 | 175.5 | -69.7 | -23.1 | 0 | 0 | 0 | 112.1 | Q32 M33 V34 K89 | Q32-D36 VanDerWaalsContact O-CG 3.3Å; Q32-D36 PolarHBondContact O-N 3.45Å; M33-D36 PolarHBondContact O-N 3.44Å; V34-D36 VanDerWaalsContact C-N 3.27Å; V34-D36 PolarHBondContact O-N 3.03Å; D36-K89 WeakPolarHBondContact O-CD 3.4Å; D36-K89 WeakPolarHBondContact O-CE 3.4Å; D36-K89 PolarHBondContact O-NZ 2.86Å; D36-K89 VanDerWaalsContact O-NZ 3.17Å |
| 37 | E | 94.3 | Very high | 94 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.7 | -27.2 | -176.9 | -75.2 | 178.8 | -162.3 | 0 | 0 | 115 | M33 V34 K89 A90 | M33-E37 WeakPolarHBondContact O-CB 3.26Å; M33-E37 WeakPolarHBondContact O-CG 3.34Å; M33-E37 PolarHBondContact O-N 2.98Å; V34-E37 PolarHBondContact O-N 3.28Å; E37-K89 WeakPolarHBondContact O-CA 3.3Å; E37-K89 WeakPolarHBondContact O-CB 3.48Å; E37-A90 PolarHBondContact O-N 2.98Å; E37-A90 VanDerWaalsContact O-N 3.15Å |
| 38 | Y | 94.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.2 | -170.9 | -62.5 | -91.9 | 0 | 0 | 0 | 113 | V34 K89 A90 A93 S114 F116 T146 | V34-Y38 HydrophobicContact CG1-CD2 3.98Å; V34-Y38 HydrophobicContact CG1-CE2 4.39Å; V34-Y38 VanDerWaalsContact O-CD2 3.27Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.04Å; Y38-K89 WeakPolarHBondContact O-CD 3.27Å; Y38-A90 CarbonylContact C-O 3.52Å; Y38-A90 VanDerWaalsContact CA-O 3.25Å; Y38-A90 WeakPolarHBondContact CA-O 3.39Å; Y38-A90 HydrophobicContact CD1-CB 3.51Å; Y38-A90 HydrophobicContact CE1-CB 3.48Å; Y38-A90 VanDerWaalsContact CE1-CB 3.48Å; Y38-A90 HydrophobicContact CG-CB 4.48Å; Y38-A93 HydrophobicContact CD1-CB 3.76Å; Y38-A93 HydrophobicContact CD2-CB 3.57Å; Y38-A93 HydrophobicContact CE1-CB 4.01Å; Y38-A93 HydrophobicContact CE2-CB 3.85Å; Y38-A93 HydrophobicContact CG-CB 3.55Å; Y38-S114 VanDerWaalsContact CE1-CB 3.41Å; Y38-S114 WeakPolarHBondContact CE1-OG 3.3Å; Y38-S114 WeakPolarHBondContact OH-CB 3.48Å; Y38-S114 PolarHBondContact OH-OG 3.24Å; Y38-F116 HydrophobicContact CE2-CE2 4.06Å; Y38-F116 HydrophobicContact CE2-CZ 4.09Å; Y38-T146 WeakPolarHBondContact O-CB 3.22Å; Y38-T146 WeakPolarHBondContact O-CG2 3.27Å; Y38-T146 PolarHBondContact O-OG1 3.28Å |
| 39 | Q | 95.1 | Very high | 93.5 | Very high | 67 Ų | 67 | 36 Ų | 36 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -35.6 | 175.7 | -62.3 | -178 | 41.2 | 0 | 0 | 111.8 | K89 A90 L91 T146 | Q39-K89 HydrophobicContact CG-CB 3.7Å; Q39-K89 PolarHBondContact NE2-O 3.07Å; Q39-A90 PolarHBondContact N-O 3.23Å; Q39-L91 PolarHBondContact N-O 3.12Å; Q39-T146 PolarHBondContact O-N 2.92Å; Q39-T146 PolarHBondContact O-OG1 2.64Å; Q39-T146 VanDerWaalsContact O-OG1 3.13Å |
| 40 | F | 97.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.5 | 175.9 | -59.9 | -90 | 0 | 0 | 0 | 110.5 | L91 L92 A93 L143 V144 R145 F169 P170 | F40-L91 HydrophobicContact CD2-CD1 3.97Å; F40-L91 HydrophobicContact CE2-CD1 4.1Å; F40-L91 PolarHBondContact N-O 3.41Å; F40-L92 HydrophobicContact CB-CD1 3.99Å; F40-L92 WeakPolarHBondContact O-CA 3.49Å; F40-A93 PolarHBondContact O-N 2.81Å; F40-A93 VanDerWaalsContact O-N 3.09Å; F40-L143 HydrophobicContact CB-CD1 3.91Å; F40-L143 HydrophobicContact CD1-CD1 4.47Å; F40-L143 HydrophobicContact CD1-CG 4.4Å; F40-V144 VanDerWaalsContact CA-O 3.26Å; F40-V144 WeakPolarHBondContact CA-O 3.49Å; F40-R145 HydrophobicContact CD1-CB 4.03Å; F40-R145 HydrophobicContact CD1-CG 4.34Å; F40-R145 HydrophobicContact CE1-CB 3.83Å; F40-R145 HydrophobicContact CE1-CG 3.88Å; F40-R145 HydrophobicContact CZ-CG 4.41Å; F40-F169 HydrophobicContact CB-CZ 4.11Å; F40-F169 HydrophobicContact CD1-CE1 4.44Å; F40-F169 HydrophobicContact CD1-CZ 4.21Å; F40-F169 AromaticContact CD2-CE1 3.5Å; F40-F169 HydrophobicContact CD2-CE1 3.5Å; F40-F169 VanDerWaalsContact CD2-CE1 3.5Å; F40-F169 AromaticContact CD2-CZ 3.65Å; F40-F169 HydrophobicContact CD2-CZ 3.65Å; F40-F169 HydrophobicContact CE1-CE1 4.4Å; F40-F169 HydrophobicContact CE2-CD1 4.46Å; F40-F169 AromaticContact CE2-CE1 3.46Å; F40-F169 HydrophobicContact CE2-CE1 3.46Å; F40-F169 VanDerWaalsContact CE2-CE1 3.46Å; F40-F169 HydrophobicContact CE2-CZ 4.07Å; F40-F169 HydrophobicContact CG-CE1 4Å; F40-F169 AromaticContact CG-CZ 3.72Å; F40-F169 HydrophobicContact CG-CZ 3.72Å; F40-F169 AromaticContact CZ-CE1 3.9Å; F40-F169 HydrophobicContact CZ-CE1 3.9Å; F40-F169 HydrophobicContact CZ-CZ 4.47Å; F40-P170 HydrophobicContact CD1-CB 3.97Å; F40-P170 HydrophobicContact CE1-CB 3.31Å; F40-P170 HydrophobicContact CE1-CG 3.66Å; F40-P170 HydrophobicContact CZ-CB 3.66Å; F40-P170 HydrophobicContact CZ-CG 3.81Å |
| 41 | V | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.5 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | V34 F35 I43 A93 V95 V144 T146 | V34-V41 HydrophobicContact CG1-CG1 4.36Å; V34-V41 HydrophobicContact CG1-CG2 3.84Å; F35-V41 HydrophobicContact CD2-CB 4.21Å; F35-V41 HydrophobicContact CD2-CG1 4.3Å; F35-V41 HydrophobicContact CD2-CG2 3.78Å; F35-V41 HydrophobicContact CE1-CB 4.44Å; F35-V41 HydrophobicContact CE2-CB 3.75Å; F35-V41 HydrophobicContact CE2-CG1 3.65Å; F35-V41 HydrophobicContact CE2-CG2 3.87Å; F35-V41 HydrophobicContact CG-CG2 4.16Å; F35-V41 HydrophobicContact CZ-CB 3.86Å; F35-V41 HydrophobicContact CZ-CG1 4.08Å; F35-V41 HydrophobicContact CZ-CG2 4.27Å; V41-I43 HydrophobicContact CG1-CD1 3.89Å; V41-A93 WeakPolarHBondContact CA-O 3.22Å; V41-V95 HydrophobicContact CG1-CG2 3.8Å; V41-V144 PolarHBondContact N-O 2.9Å; V41-V144 PolarHBondContact O-N 2.9Å; V41-T146 HydrophobicContact CB-CG2 4.43Å; V41-T146 HydrophobicContact CG2-CG2 3.7Å |
| 42 | A | 98.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L92 A93 V94 V95 L141 T142 L143 | A42-L92 HydrophobicContact CB-CD1 4.02Å; A42-A93 PolarHBondContact N-O 3.38Å; A42-V94 HydrophobicContact CB-CG2 4.3Å; A42-V94 WeakPolarHBondContact O-CA 3.29Å; A42-V95 PolarHBondContact O-N 2.81Å; A42-L141 HydrophobicContact CB-CD1 3.7Å; A42-L141 HydrophobicContact CB-CG 4.12Å; A42-T142 CarbonylContact C-O 3.58Å; A42-T142 WeakPolarHBondContact CA-O 3.25Å; A42-T142 WeakPolarHBondContact CB-O 3.44Å; A42-L143 HydrophobicContact CB-CD1 4.15Å |
| 43 | I | 98.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.9 | 172.3 | -46.5 | -61.6 | 0 | 0 | 0 | 107.4 | V41 F45 V95 V97 L129 F133 T142 | V41-I43 HydrophobicContact CG1-CD1 3.89Å; I43-F45 HydrophobicContact CB-CE2 4.39Å; I43-F45 HydrophobicContact CG2-CE2 3.91Å; I43-F45 HydrophobicContact CG2-CZ 3.85Å; I43-V95 WeakPolarHBondContact CA-O 3.23Å; I43-V95 HydrophobicContact CD1-CB 4.04Å; I43-V95 HydrophobicContact CD1-CG2 4.47Å; I43-V97 HydrophobicContact CG2-CG2 3.41Å; I43-V97 VanDerWaalsContact CG2-CG2 3.41Å; I43-L129 HydrophobicContact CG1-CD2 4.48Å; I43-L129 HydrophobicContact CG2-CD1 4.07Å; I43-L129 HydrophobicContact CG2-CD2 4.44Å; I43-F133 HydrophobicContact CG1-CE2 4.33Å; I43-T142 WeakPolarHBondContact CB-OG1 3.36Å; I43-T142 PolarHBondContact N-O 3.05Å; I43-T142 PolarHBondContact N-OG1 3.49Å; I43-T142 PolarHBondContact O-N 3.03Å; I43-T142 PolarHBondContact O-OG1 2.8Å; I43-T142 VanDerWaalsContact O-OG1 3.09Å |
| 44 | Y | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.3 | -171.6 | -179.4 | -150 | 0 | 0 | 0 | 111.4 | Y46 F56 N57 L60 V94 V95 C96 V97 W115 P139 L141 | Y44-Y46 HydrophobicContact CE1-CD1 4.5Å; Y44-Y46 HydrophobicContact CE1-CG 4.06Å; Y44-F56 HydrophobicContact CD2-CE1 4.31Å; Y44-F56 AromaticContact CE2-CD1 3.73Å; Y44-F56 HydrophobicContact CE2-CD1 3.73Å; Y44-F56 AromaticContact CE2-CE1 3.81Å; Y44-F56 HydrophobicContact CE2-CE1 3.81Å; Y44-F56 AromaticContact CZ-CD1 3.75Å; Y44-N57 WeakPolarHBondContact CE1-OD1 3.33Å; Y44-N57 PolarHBondContact OH-OD1 2.91Å; Y44-L60 HydrophobicContact CD1-CD2 4.28Å; Y44-L60 HydrophobicContact CE1-CD2 4.47Å; Y44-V94 HydrophobicContact CD1-CG1 4.19Å; Y44-V94 HydrophobicContact CG-CG1 4.42Å; Y44-V95 PolarHBondContact N-O 2.94Å; Y44-C96 CarbonylContact O-C 3.5Å; Y44-C96 WeakPolarHBondContact O-CA 3.26Å; Y44-V97 PolarHBondContact O-N 3.17Å; Y44-W115 AromaticContact CD1-CH2 3.95Å; Y44-W115 HydrophobicContact CD1-CH2 3.95Å; Y44-W115 HydrophobicContact CD1-CZ2 4.05Å; Y44-W115 HydrophobicContact CE1-CH2 4.06Å; Y44-W115 HydrophobicContact CE1-CZ2 4.18Å; Y44-P139 HydrophobicContact CE2-CB 3.67Å; Y44-L141 HydrophobicContact CD2-CD1 3.97Å; Y44-L141 HydrophobicContact CG-CD1 3.88Å |
| 45 | F | 94.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.5 | 173.8 | -54.4 | -92.8 | 0 | 0 | 0 | 109.2 | I43 V97 L129 M130 F133 V135 V138 C140 T142 | I43-F45 HydrophobicContact CB-CE2 4.39Å; I43-F45 HydrophobicContact CG2-CE2 3.91Å; I43-F45 HydrophobicContact CG2-CZ 3.85Å; F45-V97 HydrophobicContact CD1-CB 3.7Å; F45-V97 HydrophobicContact CD1-CG1 3.77Å; F45-V97 HydrophobicContact CD1-CG2 4.05Å; F45-V97 HydrophobicContact CE1-CB 3.98Å; F45-V97 HydrophobicContact CE1-CG1 3.91Å; F45-V97 HydrophobicContact CE1-CG2 3.86Å; F45-V97 HydrophobicContact CG-CB 4.38Å; F45-V97 HydrophobicContact CZ-CG2 4.35Å; F45-L129 HydrophobicContact CE1-CB 4.04Å; F45-L129 HydrophobicContact CZ-CB 3.89Å; F45-M130 HydrophobicContact CD1-CG 3.71Å; F45-M130 HydrophobicContact CE1-CB 4.31Å; F45-M130 HydrophobicContact CE1-CG 3.52Å; F45-F133 HydrophobicContact CE2-CB 4.49Å; F45-F133 HydrophobicContact CE2-CD2 4.13Å; F45-F133 AromaticContact CZ-CD2 3.99Å; F45-F133 HydrophobicContact CZ-CD2 3.99Å; F45-V135 HydrophobicContact CB-CG1 3.88Å; F45-V135 HydrophobicContact CD1-CB 4.47Å; F45-V135 HydrophobicContact CD1-CG1 4.22Å; F45-V135 HydrophobicContact CD1-CG2 3.97Å; F45-V135 HydrophobicContact CD2-CG1 4.22Å; F45-V135 HydrophobicContact CD2-CG2 3.62Å; F45-V135 HydrophobicContact CE1-CG2 3.87Å; F45-V135 HydrophobicContact CE2-CG2 3.52Å; F45-V135 HydrophobicContact CG-CB 4.41Å; F45-V135 HydrophobicContact CG-CG1 3.85Å; F45-V135 HydrophobicContact CG-CG2 3.85Å; F45-V135 HydrophobicContact CZ-CG2 3.64Å; F45-V138 HydrophobicContact CB-CG1 4.16Å; F45-C140 HydrophobicContact CB-CB 4.26Å; F45-C140 HydrophobicContact CD2-CB 4.34Å; F45-C140 PolarHBondContact N-O 3Å; F45-C140 PolarHBondContact O-N 3.16Å; F45-C140 VanDerWaalsContact O-N 3.08Å; F45-T142 HydrophobicContact CE2-CG2 3.86Å |
| 46 | Y | 87.9 | Confident | 91.4 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | trans | -146.7 | 163.9 | -172.5 | 94.5 | -77.9 | 0 | 0 | 0 | 112 | Y44 D48 C53 C96 V98 P99 M104 | Y44-Y46 HydrophobicContact CE1-CD1 4.5Å; Y44-Y46 HydrophobicContact CE1-CG 4.06Å; Y46-D48 HydrophobicContact CE2-CB 4.33Å; Y46-C53 HydrophobicContact CD2-CB 4.42Å; Y46-C96 HydrophobicContact CD1-CB 4Å; Y46-C96 HydrophobicContact CE1-CB 3.82Å; Y46-V98 HydrophobicContact CE1-CG1 3.48Å; Y46-V98 VanDerWaalsContact CE1-CG1 3.48Å; Y46-V98 WeakPolarHBondContact OH-CG1 3.42Å; Y46-P99 WeakPolarHBondContact O-CD 3.48Å; Y46-M104 HydrophobicContact CE1-CE 4.39Å; Y46-M104 HydrophobicContact CE1-SD 4.16Å; Y46-M104 WeakPolarHBondContact OH-CE 3.34Å; Y46-M104 PolarHBondContact OH-SD 3.21Å | ||
| 47 | H | 84.1 | Confident | 91.2 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | trans | -133.2 | 127.2 | 172 | -167.5 | -36.3 | 0 | 0 | 0 | 109.4 | R49 S50 C53 P99 V138 | H47-R49 PolarHBondContact ND1-N 2.98Å; H47-R49 PolarHBondContact O-N 3.18Å; H47-S50 VanDerWaalsContact O-CB 3.31Å; H47-S50 WeakPolarHBondContact O-CB 3.3Å; H47-S50 PolarHBondContact O-N 3.32Å; H47-S50 VanDerWaalsContact O-N 3.08Å; H47-C53 PolarHBondContact N-SG 3.34Å; H47-C53 VanDerWaalsContact N-SG 3.44Å; H47-C53 WeakPolarHBondContact O-CB 3.45Å; H47-P99 HydrophobicContact CB-CG 4.09Å; H47-V138 HydrophobicContact CB-CG2 4.1Å | ||
| 48 | D | 75.1 | Confident | 91.1 | Very high | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -41.3 | -177 | 67.6 | -31.5 | 0 | 0 | 0 | 114.6 | Y46 S50 Q54 | Y46-D48 HydrophobicContact CE2-CB 4.33Å; D48-S50 PolarHBondContact O-N 3.08Å; D48-Q54 PolarHBondContact O-NE2 3.03Å; D48-Q54 VanDerWaalsContact O-NE2 3.12Å |
| 49 | R | 79.5 | Confident | 91.1 | Very high | 183 Ų | 183 | 45.4 Ų | 45.4 | 69% | 0.691 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.1 | 179.5 | -61.1 | -178.1 | -168 | -173.4 | 5.2 | 114 | H47 M51 | H47-R49 PolarHBondContact ND1-N 2.98Å; H47-R49 PolarHBondContact O-N 3.18Å; R49-M51 PolarHBondContact O-N 3.24Å |
| 50 | S | 84.1 | Confident | 91.1 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | trans | -86 | 113.8 | -178.8 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | H47 D48 L52 C53 Q54 | H47-S50 VanDerWaalsContact O-CB 3.31Å; H47-S50 WeakPolarHBondContact O-CB 3.3Å; H47-S50 PolarHBondContact O-N 3.32Å; H47-S50 VanDerWaalsContact O-N 3.08Å; D48-S50 PolarHBondContact O-N 3.08Å; S50-L52 PolarHBondContact O-N 2.87Å; S50-L52 VanDerWaalsContact O-N 3.16Å; S50-L52 PolarHBondContact OG-N 3.46Å; S50-C53 WeakPolarHBondContact O-CB 3.08Å; S50-C53 PolarHBondContact O-N 3.21Å; S50-C53 PolarHBondContact OG-N 3.47Å; S50-Q54 PolarHBondContact O-N 3.02Å | ||
| 51 | M | 88.5 | Confident | 91 | Very high | 141 Ų | 141 | 44.1 Ų | 44.1 | 70% | 0.695 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -55 | -31.5 | 171.5 | -65.7 | -62.3 | -60.8 | 0 | 0 | 112.4 | R49 Q54 S55 | R49-M51 PolarHBondContact O-N 3.24Å; M51-Q54 PolarHBondContact SD-OE1 2.81Å; M51-Q54 VanDerWaalsContact SD-OE1 3.4Å; M51-S55 WeakPolarHBondContact O-CB 3.11Å; M51-S55 PolarHBondContact O-N 3.46Å |
| 52 | L | 90.5 | Very high | 90.7 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.1 | -38.5 | 175.8 | -64.5 | 174.9 | 0 | 0 | 0 | 111.6 | S50 F56 | S50-L52 PolarHBondContact O-N 2.87Å; S50-L52 VanDerWaalsContact O-N 3.16Å; S50-L52 PolarHBondContact OG-N 3.46Å; L52-F56 VanDerWaalsContact O-CB 3.31Å; L52-F56 WeakPolarHBondContact O-CB 3.47Å; L52-F56 PolarHBondContact O-N 3.15Å |
| 53 | C | 91.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | Y46 H47 S50 F56 N57 | Y46-C53 HydrophobicContact CD2-CB 4.42Å; H47-C53 PolarHBondContact N-SG 3.34Å; H47-C53 VanDerWaalsContact N-SG 3.44Å; H47-C53 WeakPolarHBondContact O-CB 3.45Å; S50-C53 WeakPolarHBondContact O-CB 3.08Å; S50-C53 PolarHBondContact O-N 3.21Å; S50-C53 PolarHBondContact OG-N 3.47Å; C53-F56 PolarHBondContact O-N 3.5Å; C53-N57 WeakPolarHBondContact O-CB 3.35Å; C53-N57 PolarHBondContact O-N 2.71Å; C53-N57 PolarHBondContact O-OD1 3.47Å; C53-N57 VanDerWaalsContact O-OD1 3.07Å |
| 54 | Q | 89.5 | Confident | 90.4 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 176.5 | -68.4 | 171 | 5.8 | 0 | 0 | 111.7 | D48 S50 M51 F56 N57 E58 | D48-Q54 PolarHBondContact O-NE2 3.03Å; D48-Q54 VanDerWaalsContact O-NE2 3.12Å; S50-Q54 PolarHBondContact O-N 3.02Å; M51-Q54 PolarHBondContact SD-OE1 2.81Å; M51-Q54 VanDerWaalsContact SD-OE1 3.4Å; Q54-F56 VanDerWaalsContact C-N 3.31Å; Q54-F56 PolarHBondContact O-N 3.22Å; Q54-N57 WeakPolarHBondContact O-CB 3.48Å; Q54-N57 PolarHBondContact O-N 3.27Å; Q54-E58 PolarHBondContact O-N 2.91Å |
| 55 | S | 92.1 | Very high | 90.1 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | M51 | M51-S55 WeakPolarHBondContact O-CB 3.11Å; M51-S55 PolarHBondContact O-N 3.46Å |
| 56 | F | 94.4 | Very high | 90 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 176.8 | -177.2 | -109.8 | 0 | 0 | 0 | 112.7 | Y44 L52 C53 Q54 E58 Q59 L60 P139 L141 C157 V160 | Y44-F56 HydrophobicContact CD2-CE1 4.31Å; Y44-F56 AromaticContact CE2-CD1 3.73Å; Y44-F56 HydrophobicContact CE2-CD1 3.73Å; Y44-F56 AromaticContact CE2-CE1 3.81Å; Y44-F56 HydrophobicContact CE2-CE1 3.81Å; Y44-F56 AromaticContact CZ-CD1 3.75Å; L52-F56 VanDerWaalsContact O-CB 3.31Å; L52-F56 WeakPolarHBondContact O-CB 3.47Å; L52-F56 PolarHBondContact O-N 3.15Å; C53-F56 PolarHBondContact O-N 3.5Å; Q54-F56 VanDerWaalsContact C-N 3.31Å; Q54-F56 PolarHBondContact O-N 3.22Å; F56-E58 VanDerWaalsContact C-N 3.3Å; F56-E58 PolarHBondContact O-N 2.65Å; F56-Q59 WeakPolarHBondContact O-CB 3.42Å; F56-Q59 PolarHBondContact O-N 2.66Å; F56-Q59 VanDerWaalsContact O-N 3.08Å; F56-L60 HydrophobicContact CE1-CB 4.43Å; F56-L60 HydrophobicContact CE1-CD2 4.11Å; F56-L60 PolarHBondContact O-N 3.47Å; F56-P139 HydrophobicContact CB-CB 4.2Å; F56-P139 HydrophobicContact CB-CG 3.84Å; F56-P139 HydrophobicContact CD1-CB 3.69Å; F56-P139 HydrophobicContact CD1-CG 4.15Å; F56-P139 HydrophobicContact CE1-CB 4.37Å; F56-P139 HydrophobicContact CG-CB 4.05Å; F56-P139 HydrophobicContact CG-CG 3.98Å; F56-L141 HydrophobicContact CE1-CB 4.17Å; F56-L141 HydrophobicContact CE1-CD2 4.29Å; F56-L141 HydrophobicContact CZ-CB 4.14Å; F56-L141 HydrophobicContact CZ-CD2 3.94Å; F56-C157 HydrophobicContact CD2-CB 4.27Å; F56-C157 HydrophobicContact CE2-CB 3.67Å; F56-C157 WeakPolarHBondContact CE2-O 3.33Å; F56-C157 HydrophobicContact CZ-CB 3.86Å; F56-C157 WeakPolarHBondContact CZ-SG 3.43Å; F56-V160 HydrophobicContact CE2-CB 4Å; F56-V160 HydrophobicContact CE2-CG1 4.01Å; F56-V160 HydrophobicContact CZ-CB 4.22Å; F56-V160 HydrophobicContact CZ-CG1 4.28Å; F56-V160 HydrophobicContact CZ-CG2 4.31Å |
| 57 | N | 92.3 | Very high | 90 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 175.5 | -71.4 | -5.9 | 0 | 0 | 0 | 110.9 | Y44 C53 Q54 Q59 L60 Y61 | Y44-N57 WeakPolarHBondContact CE1-OD1 3.33Å; Y44-N57 PolarHBondContact OH-OD1 2.91Å; C53-N57 WeakPolarHBondContact O-CB 3.35Å; C53-N57 PolarHBondContact O-N 2.71Å; C53-N57 PolarHBondContact O-OD1 3.47Å; C53-N57 VanDerWaalsContact O-OD1 3.07Å; Q54-N57 WeakPolarHBondContact O-CB 3.48Å; Q54-N57 PolarHBondContact O-N 3.27Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.38Å; N57-L60 PolarHBondContact O-N 2.82Å; N57-Y61 HydrophobicContact CB-CE1 4.46Å; N57-Y61 HydrophobicContact CB-CE2 3.93Å; N57-Y61 WeakPolarHBondContact O-CB 3.42Å; N57-Y61 WeakPolarHBondContact O-CD1 3.33Å; N57-Y61 VanDerWaalsContact O-CD2 3.24Å; N57-Y61 WeakPolarHBondContact O-CD2 3.26Å; N57-Y61 PolarHBondContact O-N 3.2Å |
| 58 | E | 92.1 | Very high | 90.2 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 176.8 | -66.3 | -177.5 | -175.8 | 0 | 0 | 112.8 | Q54 F56 K62 | Q54-E58 PolarHBondContact O-N 2.91Å; F56-E58 VanDerWaalsContact C-N 3.3Å; F56-E58 PolarHBondContact O-N 2.65Å; E58-K62 VanDerWaalsContact O-CG 3.3Å; E58-K62 WeakPolarHBondContact O-CG 3.14Å; E58-K62 PolarHBondContact O-N 3.14Å |
| 59 | Q | 94.4 | Very high | 91 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.5 | -42.4 | 178.6 | -64.5 | 166 | -16.4 | 0 | 0 | 111 | F56 N57 K62 F63 V160 Q161 | F56-Q59 WeakPolarHBondContact O-CB 3.42Å; F56-Q59 PolarHBondContact O-N 2.66Å; F56-Q59 VanDerWaalsContact O-N 3.08Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.38Å; Q59-K62 PolarHBondContact O-N 3.17Å; Q59-F63 PolarHBondContact O-N 2.89Å; Q59-V160 HydrophobicContact CB-CG1 4.47Å; Q59-Q161 VanDerWaalsContact OE1-CD 3.29Å |
| 60 | L | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178 | -176.3 | 54.2 | 0 | 0 | 0 | 111.7 | Y44 F56 N57 K62 F63 M64 V94 W115 L141 V160 | Y44-L60 HydrophobicContact CD1-CD2 4.28Å; Y44-L60 HydrophobicContact CE1-CD2 4.47Å; F56-L60 HydrophobicContact CE1-CB 4.43Å; F56-L60 HydrophobicContact CE1-CD2 4.11Å; F56-L60 PolarHBondContact O-N 3.47Å; N57-L60 PolarHBondContact O-N 2.82Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 2.82Å; L60-F63 PolarHBondContact O-N 3Å; L60-M64 HydrophobicContact CD1-CG 4.2Å; L60-M64 HydrophobicContact CD1-SD 4.47Å; L60-M64 HydrophobicContact CG-SD 4.32Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.44Å; L60-V94 HydrophobicContact CD1-CG2 4.5Å; L60-V94 HydrophobicContact CD2-CG1 4.44Å; L60-V94 HydrophobicContact CD2-CG2 4.14Å; L60-W115 HydrophobicContact CD2-CH2 3.78Å; L60-W115 HydrophobicContact CD2-CZ3 3.78Å; L60-W115 HydrophobicContact CG-CH2 4.43Å; L60-W115 HydrophobicContact CG-CZ3 4.08Å; L60-L141 HydrophobicContact CD1-CD2 3.92Å; L60-L141 HydrophobicContact CD2-CD1 4.19Å; L60-L141 HydrophobicContact CD2-CD2 4.28Å; L60-V160 HydrophobicContact CB-CG1 4.45Å; L60-V160 HydrophobicContact CD1-CG1 4.3Å; L60-V160 HydrophobicContact CD1-CG2 4.35Å |
| 61 | Y | 93.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174 | -60.1 | -26.2 | 0 | 0 | 0 | 111.8 | N57 M64 G65 L109 L113 W115 | N57-Y61 HydrophobicContact CB-CE1 4.46Å; N57-Y61 HydrophobicContact CB-CE2 3.93Å; N57-Y61 WeakPolarHBondContact O-CB 3.42Å; N57-Y61 WeakPolarHBondContact O-CD1 3.33Å; N57-Y61 VanDerWaalsContact O-CD2 3.24Å; N57-Y61 WeakPolarHBondContact O-CD2 3.26Å; N57-Y61 PolarHBondContact O-N 3.2Å; Y61-M64 PolarHBondContact O-N 3.39Å; Y61-G65 PolarHBondContact O-N 3.44Å; Y61-L109 HydrophobicContact CE1-CD2 3.66Å; Y61-L109 VanDerWaalsContact OH-CD2 3.25Å; Y61-L109 WeakPolarHBondContact OH-CD2 3.13Å; Y61-L113 HydrophobicContact CD1-CD1 3.58Å; Y61-L113 HydrophobicContact CE1-CD1 4.4Å; Y61-L113 HydrophobicContact CG-CD1 4.05Å; Y61-W115 HydrophobicContact CD1-CE3 4.38Å; Y61-W115 HydrophobicContact CD1-CH2 4.31Å; Y61-W115 AromaticContact CD1-CZ3 3.93Å; Y61-W115 HydrophobicContact CD1-CZ3 3.93Å; Y61-W115 HydrophobicContact CE1-CD2 4.39Å; Y61-W115 AromaticContact CE1-CE3 3.98Å; Y61-W115 HydrophobicContact CE1-CE3 3.98Å; Y61-W115 AromaticContact CE1-CH2 3.6Å; Y61-W115 HydrophobicContact CE1-CH2 3.6Å; Y61-W115 HydrophobicContact CE1-CZ2 4.03Å; Y61-W115 AromaticContact CE1-CZ3 3.58Å; Y61-W115 HydrophobicContact CE1-CZ3 3.58Å |
| 62 | K | 93.2 | Very high | 91.7 | Very high | 148 Ų | 148 | 54.6 Ų | 54.6 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176 | -74.2 | 170.1 | -175.5 | 169.4 | 0 | 111.8 | E58 Q59 L60 G65 N66 | E58-K62 VanDerWaalsContact O-CG 3.3Å; E58-K62 WeakPolarHBondContact O-CG 3.14Å; E58-K62 PolarHBondContact O-N 3.14Å; Q59-K62 PolarHBondContact O-N 3.17Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 2.82Å; K62-G65 PolarHBondContact O-N 2.9Å; K62-N66 PolarHBondContact O-N 3.34Å |
| 63 | F | 95.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -50 | 176.9 | 179.8 | -94.6 | 0 | 0 | 0 | 111.7 | Q59 L60 G65 N66 V70 L92 V160 F169 W171 | Q59-F63 PolarHBondContact O-N 2.89Å; L60-F63 PolarHBondContact O-N 3Å; F63-G65 VanDerWaalsContact C-N 3.32Å; F63-G65 PolarHBondContact O-N 2.96Å; F63-N66 PolarHBondContact O-N 3.31Å; F63-N66 VanDerWaalsContact O-N 3.09Å; F63-V70 HydrophobicContact CE2-CG2 4.02Å; F63-V70 HydrophobicContact CZ-CG1 4.23Å; F63-V70 HydrophobicContact CZ-CG2 3.99Å; F63-L92 HydrophobicContact CD1-CD2 4.24Å; F63-L92 HydrophobicContact CE1-CD2 3.92Å; F63-V160 HydrophobicContact CB-CG1 4.07Å; F63-V160 HydrophobicContact CG-CG1 4.47Å; F63-F169 HydrophobicContact CE1-CD2 4.18Å; F63-F169 HydrophobicContact CE1-CE2 4.25Å; F63-F169 AromaticContact CZ-CD2 3.66Å; F63-F169 HydrophobicContact CZ-CD2 3.66Å; F63-F169 HydrophobicContact CZ-CE2 4.19Å; F63-F169 HydrophobicContact CZ-CG 4.31Å; F63-W171 HydrophobicContact CD1-CH2 4.29Å; F63-W171 HydrophobicContact CD2-CH2 4.18Å; F63-W171 HydrophobicContact CD2-CZ2 4.26Å; F63-W171 AromaticContact CE1-CH2 3.67Å; F63-W171 HydrophobicContact CE1-CH2 3.67Å; F63-W171 HydrophobicContact CE1-CZ2 4.39Å; F63-W171 HydrophobicContact CE1-CZ3 4.46Å; F63-W171 AromaticContact CE2-CH2 3.54Å; F63-W171 HydrophobicContact CE2-CH2 3.54Å; F63-W171 AromaticContact CE2-CZ2 3.45Å; F63-W171 HydrophobicContact CE2-CZ2 3.45Å; F63-W171 VanDerWaalsContact CE2-CZ2 3.45Å; F63-W171 AromaticContact CZ-CH2 3.27Å; F63-W171 HydrophobicContact CZ-CH2 3.27Å; F63-W171 AromaticContact CZ-CZ2 3.55Å; F63-W171 HydrophobicContact CZ-CZ2 3.55Å; F63-W171 HydrophobicContact CZ-CZ3 4.29Å |
| 64 | M | 93.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -35.9 | 178.8 | -66.7 | -178.9 | 75.4 | 0 | 0 | 112.6 | L60 Y61 N66 E67 L92 V94 L113 W115 | L60-M64 HydrophobicContact CD1-CG 4.2Å; L60-M64 HydrophobicContact CD1-SD 4.47Å; L60-M64 HydrophobicContact CG-SD 4.32Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.44Å; Y61-M64 PolarHBondContact O-N 3.39Å; M64-N66 PolarHBondContact O-N 3.13Å; M64-E67 PolarHBondContact O-N 3.14Å; M64-L92 HydrophobicContact CG-CD2 4.17Å; M64-V94 HydrophobicContact CE-CB 4.42Å; M64-V94 HydrophobicContact CE-CG2 3.82Å; M64-V94 HydrophobicContact SD-CB 4.36Å; M64-V94 HydrophobicContact SD-CG2 3.45Å; M64-V94 WeakPolarHBondContact SD-CG2 3.49Å; M64-L113 HydrophobicContact CB-CD2 3.73Å; M64-L113 HydrophobicContact CE-CB 4.39Å; M64-W115 HydrophobicContact CE-CE3 4.49Å; M64-W115 HydrophobicContact SD-CE3 3.85Å; M64-W115 HydrophobicContact SD-CZ3 3.88Å |
| 65 | G | 91.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.6 | -16 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y61 K62 F63 | Y61-G65 PolarHBondContact O-N 3.44Å; K62-G65 PolarHBondContact O-N 2.9Å; F63-G65 VanDerWaalsContact C-N 3.32Å; F63-G65 PolarHBondContact O-N 2.96Å |
| 66 | N | 91.4 | Very high | 87.8 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 21.5 | 179 | -157.7 | 22.2 | 0 | 0 | 0 | 113.1 | K62 F63 M64 A68 E69 V70 P164 | K62-N66 PolarHBondContact O-N 3.34Å; F63-N66 PolarHBondContact O-N 3.31Å; F63-N66 VanDerWaalsContact O-N 3.09Å; M64-N66 PolarHBondContact O-N 3.13Å; N66-A68 PolarHBondContact O-N 2.82Å; N66-A68 VanDerWaalsContact O-N 3.07Å; N66-E69 PolarHBondContact O-N 2.85Å; N66-E69 VanDerWaalsContact OD1-CB 3.28Å; N66-E69 WeakPolarHBondContact OD1-CB 3.5Å; N66-V70 PolarHBondContact O-N 3.38Å; N66-V70 VanDerWaalsContact O-N 3.1Å; N66-P164 PolarHBondContact ND2-O 2.97Å |
| 67 | E | 89.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -48.6 | -40 | -173.9 | -178.6 | 173.5 | -167.9 | 0 | 0 | 113.5 | M64 E69 V70 L71 L91 | M64-E67 PolarHBondContact O-N 3.14Å; E67-E69 PolarHBondContact O-N 3.47Å; E67-V70 PolarHBondContact O-N 3.39Å; E67-L71 HydrophobicContact CG-CD1 3.89Å; E67-L71 HydrophobicContact CG-CG 4.26Å; E67-L71 VanDerWaalsContact O-CB 3.31Å; E67-L71 WeakPolarHBondContact O-CB 3.38Å; E67-L71 WeakPolarHBondContact O-CG 3.43Å; E67-L71 PolarHBondContact O-N 3.09Å; E67-L91 HydrophobicContact CG-CB 3.78Å; E67-L91 HydrophobicContact CG-CD2 4.06Å; E67-L91 WeakPolarHBondContact OE1-CB 3.49Å; E67-L91 PolarHBondContact OE1-N 3.19Å |
| 68 | A | 88.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 65% | 0.653 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N66 K72 | N66-A68 PolarHBondContact O-N 2.82Å; N66-A68 VanDerWaalsContact O-N 3.07Å; A68-K72 WeakPolarHBondContact O-CB 3.14Å; A68-K72 PolarHBondContact O-N 3.22Å |
| 69 | E | 90.8 | Very high | 81.6 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.7 | -37.5 | 177.6 | -168.6 | 62.1 | -158.7 | 0 | 0 | 110.8 | N66 E67 K72 N73 | N66-E69 PolarHBondContact O-N 2.85Å; N66-E69 VanDerWaalsContact OD1-CB 3.28Å; N66-E69 WeakPolarHBondContact OD1-CB 3.5Å; E67-E69 PolarHBondContact O-N 3.47Å; E69-K72 WeakPolarHBondContact O-CB 3.39Å; E69-K72 PolarHBondContact O-N 2.75Å; E69-K72 IonicContact OE1-NZ 3.63Å; E69-K72 PolarHBondContact OE1-NZ 3.45Å; E69-K72 IonicContact OE2-NZ 3.85Å; E69-K72 PolarHBondContact OE2-NZ 2.96Å; E69-N73 VanDerWaalsContact O-CG 3.32Å; E69-N73 PolarHBondContact O-N 2.76Å; E69-N73 PolarHBondContact O-ND2 2.78Å |
| 70 | V | 91.5 | Very high | 79.1 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | F63 N66 E67 K72 N73 T74 L91 F169 | F63-V70 HydrophobicContact CE2-CG2 4.02Å; F63-V70 HydrophobicContact CZ-CG1 4.23Å; F63-V70 HydrophobicContact CZ-CG2 3.99Å; N66-V70 PolarHBondContact O-N 3.38Å; N66-V70 VanDerWaalsContact O-N 3.1Å; E67-V70 PolarHBondContact O-N 3.39Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 2.82Å; V70-N73 PolarHBondContact O-N 3.49Å; V70-T74 WeakPolarHBondContact O-CB 3.34Å; V70-T74 PolarHBondContact O-N 2.87Å; V70-T74 PolarHBondContact O-OG1 2.91Å; V70-L91 HydrophobicContact CB-CD2 3.82Å; V70-L91 HydrophobicContact CG1-CD2 3.55Å; V70-F169 HydrophobicContact CG1-CB 4Å; V70-F169 HydrophobicContact CG1-CD1 3.88Å; V70-F169 HydrophobicContact CG1-CG 3.89Å |
| 71 | L | 87.8 | Confident | 76.5 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.335 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.5 | -82.5 | 170.4 | 0 | 0 | 0 | 111.8 | E67 N73 T74 A75 L91 | E67-L71 HydrophobicContact CG-CD1 3.89Å; E67-L71 HydrophobicContact CG-CG 4.26Å; E67-L71 VanDerWaalsContact O-CB 3.31Å; E67-L71 WeakPolarHBondContact O-CB 3.38Å; E67-L71 WeakPolarHBondContact O-CG 3.43Å; E67-L71 PolarHBondContact O-N 3.09Å; L71-N73 VanDerWaalsContact C-N 3.35Å; L71-N73 PolarHBondContact O-N 3.11Å; L71-T74 PolarHBondContact O-N 3.37Å; L71-A75 VanDerWaalsContact O-CB 3.22Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.92Å; L71-L91 HydrophobicContact CD2-CB 4.14Å; L71-L91 HydrophobicContact CD2-CD1 3.86Å; L71-L91 HydrophobicContact CD2-CG 4.38Å; L71-L91 HydrophobicContact CG-CB 4.28Å; L71-L91 HydrophobicContact CG-CD1 4.47Å; L71-L91 HydrophobicContact CG-CD2 4.24Å |
| 72 | K | 87.2 | Confident | 73.9 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 175 | 177.6 | -173.4 | 163.3 | -151.4 | 0 | 111.4 | A68 E69 V70 T74 V76 | A68-K72 WeakPolarHBondContact O-CB 3.14Å; A68-K72 PolarHBondContact O-N 3.22Å; E69-K72 WeakPolarHBondContact O-CB 3.39Å; E69-K72 PolarHBondContact O-N 2.75Å; E69-K72 IonicContact OE1-NZ 3.63Å; E69-K72 PolarHBondContact OE1-NZ 3.45Å; E69-K72 IonicContact OE2-NZ 3.85Å; E69-K72 PolarHBondContact OE2-NZ 2.96Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 2.82Å; K72-T74 VanDerWaalsContact C-N 3.34Å; K72-V76 WeakPolarHBondContact O-CG2 3.45Å; K72-V76 PolarHBondContact O-N 2.76Å |
| 73 | N | 84.3 | Confident | 71.4 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.144 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68 | -34.2 | 177.8 | -68.4 | -28.8 | 0 | 0 | 0 | 112.4 | E69 V70 L71 T165 | E69-N73 VanDerWaalsContact O-CG 3.32Å; E69-N73 PolarHBondContact O-N 2.76Å; E69-N73 PolarHBondContact O-ND2 2.78Å; V70-N73 PolarHBondContact O-N 3.49Å; L71-N73 VanDerWaalsContact C-N 3.35Å; L71-N73 PolarHBondContact O-N 3.11Å; N73-T165 PolarHBondContact ND2-O 3.5Å |
| 74 | T | 74.5 | Confident | 69.1 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 12% | 0.123 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -77.2 | -36.1 | 179.1 | -48.4 | 0 | 0 | 0 | 0 | 112.2 | V70 L71 K72 V76 L77 S78 | V70-T74 WeakPolarHBondContact O-CB 3.34Å; V70-T74 PolarHBondContact O-N 2.87Å; V70-T74 PolarHBondContact O-OG1 2.91Å; L71-T74 PolarHBondContact O-N 3.37Å; K72-T74 VanDerWaalsContact C-N 3.34Å; T74-V76 VanDerWaalsContact C-N 3.31Å; T74-V76 PolarHBondContact O-N 2.63Å; T74-L77 WeakPolarHBondContact O-CA 3.35Å; T74-L77 WeakPolarHBondContact O-CB 3.41Å; T74-L77 PolarHBondContact O-N 3.34Å; T74-S78 PolarHBondContact O-N 3Å |
| 75 | A | 66.8 | Low | 67.1 | Low | 53 Ų | 53 | 81.5 Ų | 81.5 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -31.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 L77 S78 A79 | L71-A75 VanDerWaalsContact O-CB 3.22Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.92Å; A75-L77 PolarHBondContact O-N 3.44Å; A75-S78 PolarHBondContact O-N 2.69Å; A75-A79 PolarHBondContact O-N 2.89Å |
| 76 | V | 57.5 | Low | 65.3 | Low | 118 Ų | 118 | 82.7 Ų | 82.7 | 72% | 0.715 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -28.9 | 170.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | K72 T74 | K72-V76 WeakPolarHBondContact O-CG2 3.45Å; K72-V76 PolarHBondContact O-N 2.76Å; T74-V76 VanDerWaalsContact C-N 3.31Å; T74-V76 PolarHBondContact O-N 2.63Å |
| 77 | L | 52 | Low | 63.9 | Low | 118 Ų | 118 | 84.2 Ų | 84.2 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -85.5 | -30.2 | 175.4 | -62.5 | 164.9 | 0 | 0 | 0 | 112.8 | T74 A75 | T74-L77 WeakPolarHBondContact O-CA 3.35Å; T74-L77 WeakPolarHBondContact O-CB 3.41Å; T74-L77 PolarHBondContact O-N 3.34Å; A75-L77 PolarHBondContact O-N 3.44Å |
| 78 | S | 51.1 | Low | 63.3 | Low | 60 Ų | 60 | 87 Ų | 87 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -93.8 | -0 | -172.6 | 80.6 | 0 | 0 | 0 | 0 | 115.5 | T74 A75 A80 S81 | T74-S78 PolarHBondContact O-N 3Å; A75-S78 PolarHBondContact O-N 2.69Å; S78-A80 PolarHBondContact O-N 3.42Å; S78-S81 PolarHBondContact O-N 2.84Å; S78-S81 VanDerWaalsContact O-N 3.07Å |
| 79 | A | 43.8 | Very low | 63.2 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 80% | 0.802 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -0.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A75 | A75-A79 PolarHBondContact O-N 2.89Š|
| 80 | A | 43 | Very low | 63.1 | Low | 100 Ų | 100 | 85.5 Ų | 85.5 | 83% | 0.826 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 1.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S78 | S78-A80 PolarHBondContact O-N 3.42Š|
| 81 | S | 41.1 | Very low | 63.2 | Low | 94 Ų | 94 | 85.6 Ų | 85.6 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -129.8 | 130.3 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | S78 | S78-S81 PolarHBondContact O-N 2.84Å; S78-S81 VanDerWaalsContact O-N 3.07Å |
| 82 | C | 37.9 | Very low | 63.5 | Low | 128 Ų | 128 | 83.2 Ų | 83.2 | 87% | 0.865 | 54% | 0.544 | S | S | * | . | trans | -48.2 | 155.2 | -165.5 | -64.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 83 | A | 40 | Very low | 64 | Low | 101 Ų | 101 | 77.5 Ų | 77.5 | 84% | 0.835 | 52% | 0.519 | S | S | * | . | trans | -65.4 | 129.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 84 | T | 48.8 | Very low | 64.6 | Low | 108 Ų | 108 | 76.2 Ų | 76.2 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | trans | -124.4 | 136.2 | 163 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | S86 | T84-S86 PolarHBondContact O-N 3Š| ||
| 85 | N | 50.2 | Low | 65.6 | Low | 181 Ų | 181 | 75.3 Ų | 75.3 | 97% | 0.968 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -73.2 | 20.5 | -176.4 | -78.2 | -16.3 | 0 | 0 | 0 | 115.1 | ||
| 86 | S | 54.9 | Low | 66.9 | Low | 84 Ų | 84 | 72.8 Ų | 72.8 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -83 | 150 | 172.2 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | T84 | T84-S86 PolarHBondContact O-N 3Š|
| 87 | A | 62.4 | Low | 68.6 | Low | 86 Ų | 86 | 67.3 Ų | 67.3 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 138.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | K89 | A87-K89 PolarHBondContact O-N 2.88Š|
| 88 | P | 75.8 | Confident | 69.7 | Low | 126 Ų | 126 | 62.9 Ų | 62.9 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 122.1 | -178.5 | 24.9 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 89 | K | 85.8 | Confident | 70.4 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 139.9 | 171 | -67.6 | -165.9 | -176 | -161.8 | 0 | 109.6 | F35 D36 E37 Y38 Q39 A87 | F35-K89 PolarHBondContact O-NZ 3.39Å; D36-K89 WeakPolarHBondContact O-CD 3.4Å; D36-K89 WeakPolarHBondContact O-CE 3.4Å; D36-K89 PolarHBondContact O-NZ 2.86Å; D36-K89 VanDerWaalsContact O-NZ 3.17Å; E37-K89 WeakPolarHBondContact O-CA 3.3Å; E37-K89 WeakPolarHBondContact O-CB 3.48Å; Y38-K89 WeakPolarHBondContact O-CD 3.27Å; Q39-K89 HydrophobicContact CG-CB 3.7Å; Q39-K89 PolarHBondContact NE2-O 3.07Å; A87-K89 PolarHBondContact O-N 2.88Å |
| 90 | A | 89.8 | Confident | 71.2 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 155.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E37 Y38 Q39 | E37-A90 PolarHBondContact O-N 2.98Å; E37-A90 VanDerWaalsContact O-N 3.15Å; Y38-A90 CarbonylContact C-O 3.52Å; Y38-A90 VanDerWaalsContact CA-O 3.25Å; Y38-A90 WeakPolarHBondContact CA-O 3.39Å; Y38-A90 HydrophobicContact CD1-CB 3.51Å; Y38-A90 HydrophobicContact CE1-CB 3.48Å; Y38-A90 VanDerWaalsContact CE1-CB 3.48Å; Y38-A90 HydrophobicContact CG-CB 4.48Å; Q39-A90 PolarHBondContact N-O 3.23Å |
| 91 | L | 92.6 | Very high | 72 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -57.6 | -168.3 | -179.7 | 65.4 | 0 | 0 | 0 | 112.1 | Q39 F40 E67 V70 L71 F169 | Q39-L91 PolarHBondContact N-O 3.12Å; F40-L91 HydrophobicContact CD2-CD1 3.97Å; F40-L91 HydrophobicContact CE2-CD1 4.1Å; F40-L91 PolarHBondContact N-O 3.41Å; E67-L91 HydrophobicContact CG-CB 3.78Å; E67-L91 HydrophobicContact CG-CD2 4.06Å; E67-L91 WeakPolarHBondContact OE1-CB 3.49Å; E67-L91 PolarHBondContact OE1-N 3.19Å; V70-L91 HydrophobicContact CB-CD2 3.82Å; V70-L91 HydrophobicContact CG1-CD2 3.55Å; L71-L91 HydrophobicContact CD2-CB 4.14Å; L71-L91 HydrophobicContact CD2-CD1 3.86Å; L71-L91 HydrophobicContact CD2-CG 4.38Å; L71-L91 HydrophobicContact CG-CB 4.28Å; L71-L91 HydrophobicContact CG-CD1 4.47Å; L71-L91 HydrophobicContact CG-CD2 4.24Å; L91-F169 HydrophobicContact CD1-CE1 3.92Å; L91-F169 HydrophobicContact CD2-CE1 4.5Å; L91-F169 HydrophobicContact CG-CE1 4.36Å |
| 92 | L | 95.4 | Very high | 72.5 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.6 | -164.9 | 178.5 | 62.6 | 0 | 0 | 0 | 111.6 | F40 A42 F63 M64 L143 | F40-L92 HydrophobicContact CB-CD1 3.99Å; F40-L92 WeakPolarHBondContact O-CA 3.49Å; A42-L92 HydrophobicContact CB-CD1 4.02Å; F63-L92 HydrophobicContact CD1-CD2 4.24Å; F63-L92 HydrophobicContact CE1-CD2 3.92Å; M64-L92 HydrophobicContact CG-CD2 4.17Å; L92-L143 HydrophobicContact CD1-CD1 3.85Å |
| 93 | A | 96 | Very high | 73.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 147.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V34 Y38 F40 V41 A42 S114 F116 | V34-A93 HydrophobicContact CG1-CB 3.71Å; Y38-A93 HydrophobicContact CD1-CB 3.76Å; Y38-A93 HydrophobicContact CD2-CB 3.57Å; Y38-A93 HydrophobicContact CE1-CB 4.01Å; Y38-A93 HydrophobicContact CE2-CB 3.85Å; Y38-A93 HydrophobicContact CG-CB 3.55Å; F40-A93 PolarHBondContact O-N 2.81Å; F40-A93 VanDerWaalsContact O-N 3.09Å; V41-A93 WeakPolarHBondContact CA-O 3.22Å; A42-A93 PolarHBondContact N-O 3.38Å; A93-S114 WeakPolarHBondContact CA-O 3.21Å; A93-F116 HydrophobicContact CB-CD2 4.1Å; A93-F116 HydrophobicContact CB-CE2 3.86Å |
| 94 | V | 96.6 | Very high | 74 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.2 | 170.3 | 174.2 | 0 | 0 | 0 | 0 | 108.6 | A42 Y44 L60 M64 S114 W115 F116 | A42-V94 HydrophobicContact CB-CG2 4.3Å; A42-V94 WeakPolarHBondContact O-CA 3.29Å; Y44-V94 HydrophobicContact CD1-CG1 4.19Å; Y44-V94 HydrophobicContact CG-CG1 4.42Å; L60-V94 HydrophobicContact CD1-CG2 4.5Å; L60-V94 HydrophobicContact CD2-CG1 4.44Å; L60-V94 HydrophobicContact CD2-CG2 4.14Å; M64-V94 HydrophobicContact CE-CB 4.42Å; M64-V94 HydrophobicContact CE-CG2 3.82Å; M64-V94 HydrophobicContact SD-CB 4.36Å; M64-V94 HydrophobicContact SD-CG2 3.45Å; M64-V94 WeakPolarHBondContact SD-CG2 3.49Å; V94-S114 PolarHBondContact N-O 3.06Å; V94-W115 HydrophobicContact CB-CD2 4.31Å; V94-W115 HydrophobicContact CB-CE3 3.74Å; V94-W115 HydrophobicContact CB-CZ3 3.88Å; V94-W115 HydrophobicContact CG1-CD2 4.28Å; V94-W115 HydrophobicContact CG1-CE3 3.93Å; V94-W115 HydrophobicContact CG1-CH2 3.93Å; V94-W115 HydrophobicContact CG1-CZ2 4.28Å; V94-W115 HydrophobicContact CG1-CZ3 3.74Å; V94-W115 HydrophobicContact CG2-CE3 4.13Å; V94-W115 HydrophobicContact CG2-CZ3 3.95Å; V94-F116 WeakPolarHBondContact O-CB 3.33Å; V94-F116 PolarHBondContact O-N 2.98Å |
| 95 | V | 96.2 | Very high | 74.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.8 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | V20 L31 V34 V41 A42 I43 Y44 F116 L118 | V20-V95 HydrophobicContact CG1-CG1 4.24Å; L31-V95 HydrophobicContact CD2-CG1 4.03Å; L31-V95 HydrophobicContact CD2-CG2 4.15Å; V34-V95 HydrophobicContact CG1-CG2 4.16Å; V41-V95 HydrophobicContact CG1-CG2 3.8Å; A42-V95 PolarHBondContact O-N 2.81Å; I43-V95 WeakPolarHBondContact CA-O 3.23Å; I43-V95 HydrophobicContact CD1-CB 4.04Å; I43-V95 HydrophobicContact CD1-CG2 4.47Å; Y44-V95 PolarHBondContact N-O 2.94Å; V95-F116 HydrophobicContact CG2-CB 4.14Å; V95-L118 HydrophobicContact CG1-CD2 3.82Å; V95-L118 HydrophobicContact CG1-CG 4.36Å |
| 96 | C | 94.1 | Very high | 74.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.3 | 177.6 | -65 | 0 | 0 | 0 | 0 | 111.7 | Y44 Y46 W115 F116 S117 L118 | Y44-C96 CarbonylContact O-C 3.5Å; Y44-C96 WeakPolarHBondContact O-CA 3.26Å; Y46-C96 HydrophobicContact CD1-CB 4Å; Y46-C96 HydrophobicContact CE1-CB 3.82Å; C96-W115 WeakPolarHBondContact SG-CZ2 3.49Å; C96-W115 PolarHBondContact SG-NE1 3.22Å; C96-W115 VanDerWaalsContact SG-NE1 3.41Å; C96-F116 PolarHBondContact N-O 2.83Å; C96-S117 WeakPolarHBondContact O-CA 3.47Å; C96-L118 PolarHBondContact O-N 3.35Å |
| 97 | V | 92.4 | Very high | 75.3 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107.4 | 169.1 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | I43 Y44 F45 L118 K126 L129 | I43-V97 HydrophobicContact CG2-CG2 3.41Å; I43-V97 VanDerWaalsContact CG2-CG2 3.41Å; Y44-V97 PolarHBondContact O-N 3.17Å; F45-V97 HydrophobicContact CD1-CB 3.7Å; F45-V97 HydrophobicContact CD1-CG1 3.77Å; F45-V97 HydrophobicContact CD1-CG2 4.05Å; F45-V97 HydrophobicContact CE1-CB 3.98Å; F45-V97 HydrophobicContact CE1-CG1 3.91Å; F45-V97 HydrophobicContact CE1-CG2 3.86Å; F45-V97 HydrophobicContact CG-CB 4.38Å; F45-V97 HydrophobicContact CZ-CG2 4.35Å; V97-L118 HydrophobicContact CB-CD1 4.4Å; V97-L118 HydrophobicContact CG1-CD1 4.14Å; V97-L118 HydrophobicContact CG2-CD1 3.93Å; V97-L118 HydrophobicContact CG2-CG 4.31Å; V97-K126 HydrophobicContact CG1-CB 3.95Å; V97-K126 HydrophobicContact CG1-CD 4.34Å; V97-K126 HydrophobicContact CG1-CG 3.63Å; V97-L129 HydrophobicContact CG2-CD1 4.16Å |
| 98 | V | 75.6 | Confident | 75.6 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | trans | -86.1 | 152.6 | -174.7 | -95.5 | 0 | 0 | 0 | 0 | 113.8 | Y46 M104 K126 | Y46-V98 HydrophobicContact CE1-CG1 3.48Å; Y46-V98 VanDerWaalsContact CE1-CG1 3.48Å; Y46-V98 WeakPolarHBondContact OH-CG1 3.42Å; V98-M104 HydrophobicContact CG1-CG 4.12Å; V98-M104 HydrophobicContact CG1-SD 3.21Å; V98-M104 WeakPolarHBondContact CG1-SD 3.23Å; V98-K126 WeakPolarHBondContact O-CD 3.25Å; V98-K126 VanDerWaalsContact O-CE 3.29Å; V98-K126 WeakPolarHBondContact O-CE 3.3Å; V98-K126 PolarHBondContact O-NZ 2.83Å | ||
| 99 | P | 66.9 | Low | 75.6 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | trans | -61 | 157.8 | 165.4 | -17 | 31.7 | 0 | 0 | 0 | 112 | Y46 H47 D101 G102 K126 | Y46-P99 WeakPolarHBondContact O-CD 3.48Å; H47-P99 HydrophobicContact CB-CG 4.09Å; P99-D101 VanDerWaalsContact C-N 3.26Å; P99-D101 WeakPolarHBondContact CB-OD1 3.45Å; P99-D101 PolarHBondContact O-N 3.3Å; P99-G102 PolarHBondContact O-N 3.46Å; P99-K126 VanDerWaalsContact C-NZ 3.34Å | ||
| 100 | S | 59.6 | Low | 75.1 | Confident | 112 Ų | 112 | 48.8 Ų | 48.8 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.5 | -169.9 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | G102 K126 | S100-G102 PolarHBondContact O-N 2.89Å; S100-K126 PolarHBondContact OG-NZ 3.38Å |
| 101 | D | 59.6 | Low | 74.5 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.1 | 175.2 | 63.7 | -13.6 | 0 | 0 | 0 | 113.1 | P99 T103 | P99-D101 VanDerWaalsContact C-N 3.26Å; P99-D101 WeakPolarHBondContact CB-OD1 3.45Å; P99-D101 PolarHBondContact O-N 3.3Å; D101-T103 PolarHBondContact O-N 2.9Å |
| 102 | G | 52.3 | Low | 74 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | trans | 69.4 | -2.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P99 S100 M104 | P99-G102 PolarHBondContact O-N 3.46Å; S100-G102 PolarHBondContact O-N 2.89Å; G102-M104 PolarHBondContact O-N 3.5Å | ||
| 103 | T | 53.1 | Low | 73.7 | Confident | 76 Ų | 76 | 56 Ų | 56 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | trans | -84.2 | 98.8 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | D101 | D101-T103 PolarHBondContact O-N 2.9Š| ||
| 104 | M | 57.2 | Low | 73.6 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | trans | -66.8 | 143.8 | 161.6 | -68.9 | -82.8 | -39.6 | 0 | 0 | 109.4 | Y46 V98 G102 | Y46-M104 HydrophobicContact CE1-CE 4.39Å; Y46-M104 HydrophobicContact CE1-SD 4.16Å; Y46-M104 WeakPolarHBondContact OH-CE 3.34Å; Y46-M104 PolarHBondContact OH-SD 3.21Å; V98-M104 HydrophobicContact CG1-CG 4.12Å; V98-M104 HydrophobicContact CG1-SD 3.21Å; V98-M104 WeakPolarHBondContact CG1-SD 3.23Å; G102-M104 PolarHBondContact O-N 3.5Å | ||
| 105 | S | 60.1 | Low | 73.4 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -64.4 | 135 | 164.5 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | E107 | S105-E107 PolarHBondContact O-N 3.06Š| ||
| 106 | Q | 56.8 | Low | 73.3 | Confident | 199 Ų | 199 | 57.1 Ų | 57.1 | 93% | 0.93 | 35% | 0.347 | S | S | * | . | trans | -78.2 | 35.4 | 171.2 | -65 | -168.5 | -0.4 | 0 | 0 | 111.8 | ||||
| 107 | E | 63.6 | Low | 73.2 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -64.4 | 135.6 | 176.8 | -79.8 | -180 | 177.1 | 0 | 0 | 109.5 | S105 L109 | S105-E107 PolarHBondContact O-N 3.06Å; E107-L109 PolarHBondContact O-N 3.41Å | ||
| 108 | P | 67.9 | Low | 73.2 | Confident | 126 Ų | 126 | 57.7 Ų | 57.7 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | trans | -64.5 | 105.8 | 178.5 | 24.7 | -31.6 | 0 | 0 | 0 | 109.8 | ||||
| 109 | L | 75.7 | Confident | 73.9 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | trans | -75.3 | 136.1 | 172.3 | -74.6 | 162.8 | 0 | 0 | 0 | 109.9 | H23 Y61 E107 S111 W115 | H23-L109 HydrophobicContact CB-CD1 3.59Å; Y61-L109 HydrophobicContact CE1-CD2 3.66Å; Y61-L109 VanDerWaalsContact OH-CD2 3.25Å; Y61-L109 WeakPolarHBondContact OH-CD2 3.13Å; E107-L109 PolarHBondContact O-N 3.41Å; L109-S111 PolarHBondContact O-N 3.02Å; L109-W115 HydrophobicContact CD1-CG 4.22Å; L109-W115 HydrophobicContact CD2-CD2 4.09Å; L109-W115 HydrophobicContact CD2-CG 4.03Å | ||
| 110 | P | 76.8 | Confident | 74.7 | Confident | 57 Ų | 57 | 64 Ų | 64 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | trans | -60.9 | 126.2 | 171.2 | -15.7 | 26.7 | 0 | 0 | 0 | 110.1 | S112 L113 | P110-S112 PolarHBondContact O-N 3.17Å; P110-L113 HydrophobicContact CB-CD1 4.24Å; P110-L113 HydrophobicContact CB-CG 4.08Å; P110-L113 HydrophobicContact CG-CD1 3.88Å; P110-L113 HydrophobicContact CG-CG 4.28Å; P110-L113 PolarHBondContact O-N 3.18Å; P110-L113 VanDerWaalsContact O-N 3.07Å | ||
| 111 | S | 76.3 | Confident | 76 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.6 | -171.6 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | N24 L109 | N24-S111 WeakPolarHBondContact CB-O 3.42Å; N24-S111 PolarHBondContact ND2-O 3.31Å; L109-S111 PolarHBondContact O-N 3.02Å |
| 112 | S | 82.8 | Confident | 77.4 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.6 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | P110 | P110-S112 PolarHBondContact O-N 3.17Š|
| 113 | L | 89.4 | Confident | 79.1 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -77.8 | 138.3 | -172.2 | -61 | -173.1 | 0 | 0 | 0 | 112.5 | N24 Y61 M64 P110 W115 | N24-L113 PolarHBondContact ND2-O 3.02Å; Y61-L113 HydrophobicContact CD1-CD1 3.58Å; Y61-L113 HydrophobicContact CE1-CD1 4.4Å; Y61-L113 HydrophobicContact CG-CD1 4.05Å; M64-L113 HydrophobicContact CB-CD2 3.73Å; M64-L113 HydrophobicContact CE-CB 4.39Å; P110-L113 HydrophobicContact CB-CD1 4.24Å; P110-L113 HydrophobicContact CB-CG 4.08Å; P110-L113 HydrophobicContact CG-CD1 3.88Å; P110-L113 HydrophobicContact CG-CG 4.28Å; P110-L113 PolarHBondContact O-N 3.18Å; P110-L113 VanDerWaalsContact O-N 3.07Å; L113-W115 PolarHBondContact O-N 3.41Å |
| 114 | S | 93 | Very high | 80.8 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 12% | 0.119 | 37% | 0.365 | C | S | . | . | trans | -79.7 | 72.9 | 175 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | Y38 A93 V94 | Y38-S114 VanDerWaalsContact CE1-CB 3.41Å; Y38-S114 WeakPolarHBondContact CE1-OG 3.3Å; Y38-S114 WeakPolarHBondContact OH-CB 3.48Å; Y38-S114 PolarHBondContact OH-OG 3.24Å; A93-S114 WeakPolarHBondContact CA-O 3.21Å; V94-S114 PolarHBondContact N-O 3.06Å | ||
| 115 | W | 92.7 | Very high | 82.6 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.4 | -172.2 | -161 | -89.8 | 0 | 0 | 0 | 111.5 | H23 Y44 L60 Y61 M64 V94 C96 L109 L113 | H23-W115 AromaticContact CD2-CD1 3.82Å; H23-W115 PolarHBondContact N-O 3.09Å; Y44-W115 AromaticContact CD1-CH2 3.95Å; Y44-W115 HydrophobicContact CD1-CH2 3.95Å; Y44-W115 HydrophobicContact CD1-CZ2 4.05Å; Y44-W115 HydrophobicContact CE1-CH2 4.06Å; Y44-W115 HydrophobicContact CE1-CZ2 4.18Å; L60-W115 HydrophobicContact CD2-CH2 3.78Å; L60-W115 HydrophobicContact CD2-CZ3 3.78Å; L60-W115 HydrophobicContact CG-CH2 4.43Å; L60-W115 HydrophobicContact CG-CZ3 4.08Å; Y61-W115 HydrophobicContact CD1-CE3 4.38Å; Y61-W115 HydrophobicContact CD1-CH2 4.31Å; Y61-W115 AromaticContact CD1-CZ3 3.93Å; Y61-W115 HydrophobicContact CD1-CZ3 3.93Å; Y61-W115 HydrophobicContact CE1-CD2 4.39Å; Y61-W115 AromaticContact CE1-CE3 3.98Å; Y61-W115 HydrophobicContact CE1-CE3 3.98Å; Y61-W115 AromaticContact CE1-CH2 3.6Å; Y61-W115 HydrophobicContact CE1-CH2 3.6Å; Y61-W115 HydrophobicContact CE1-CZ2 4.03Å; Y61-W115 AromaticContact CE1-CZ3 3.58Å; Y61-W115 HydrophobicContact CE1-CZ3 3.58Å; M64-W115 HydrophobicContact CE-CE3 4.49Å; M64-W115 HydrophobicContact SD-CE3 3.85Å; M64-W115 HydrophobicContact SD-CZ3 3.88Å; V94-W115 HydrophobicContact CB-CD2 4.31Å; V94-W115 HydrophobicContact CB-CE3 3.74Å; V94-W115 HydrophobicContact CB-CZ3 3.88Å; V94-W115 HydrophobicContact CG1-CD2 4.28Å; V94-W115 HydrophobicContact CG1-CE3 3.93Å; V94-W115 HydrophobicContact CG1-CH2 3.93Å; V94-W115 HydrophobicContact CG1-CZ2 4.28Å; V94-W115 HydrophobicContact CG1-CZ3 3.74Å; V94-W115 HydrophobicContact CG2-CE3 4.13Å; V94-W115 HydrophobicContact CG2-CZ3 3.95Å; C96-W115 WeakPolarHBondContact SG-CZ2 3.49Å; C96-W115 PolarHBondContact SG-NE1 3.22Å; C96-W115 VanDerWaalsContact SG-NE1 3.41Å; L109-W115 HydrophobicContact CD1-CG 4.22Å; L109-W115 HydrophobicContact CD2-CD2 4.09Å; L109-W115 HydrophobicContact CD2-CG 4.03Å; L113-W115 PolarHBondContact O-N 3.41Å |
| 116 | F | 93.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 159.8 | -176.8 | -59.3 | -99.6 | 0 | 0 | 0 | 110.1 | V20 V21 R22 V34 Y38 A93 V94 V95 C96 | V20-F116 HydrophobicContact CG2-CD1 4.03Å; V21-F116 CarbonylContact O-C 3.48Å; V21-F116 WeakPolarHBondContact O-CA 3.23Å; R22-F116 HydrophobicContact CB-CD1 3.8Å; R22-F116 HydrophobicContact CB-CE1 3.7Å; R22-F116 HydrophobicContact CG-CD1 4.14Å; R22-F116 HydrophobicContact CG-CE1 3.74Å; R22-F116 HydrophobicContact CG-CZ 4.17Å; V34-F116 HydrophobicContact CG1-CD2 4.47Å; V34-F116 HydrophobicContact CG1-CE2 4.34Å; V34-F116 HydrophobicContact CG2-CD1 3.91Å; V34-F116 HydrophobicContact CG2-CD2 4.45Å; V34-F116 HydrophobicContact CG2-CE1 3.78Å; V34-F116 HydrophobicContact CG2-CE2 4.36Å; V34-F116 HydrophobicContact CG2-CG 4.25Å; V34-F116 HydrophobicContact CG2-CZ 4.02Å; Y38-F116 HydrophobicContact CE2-CE2 4.06Å; Y38-F116 HydrophobicContact CE2-CZ 4.09Å; A93-F116 HydrophobicContact CB-CD2 4.1Å; A93-F116 HydrophobicContact CB-CE2 3.86Å; V94-F116 WeakPolarHBondContact O-CB 3.33Å; V94-F116 PolarHBondContact O-N 2.98Å; V95-F116 HydrophobicContact CG2-CB 4.14Å; C96-F116 PolarHBondContact N-O 2.83Å |
| 117 | S | 92.2 | Very high | 85.7 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.6 | 166.3 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | V20 V21 H23 C96 | V20-S117 CarbonylContact C-O 3.54Å; V20-S117 WeakPolarHBondContact CA-O 3.15Å; V20-S117 WeakPolarHBondContact CB-O 3.14Å; V21-S117 PolarHBondContact N-O 2.78Å; V21-S117 PolarHBondContact O-N 3.41Å; H23-S117 PolarHBondContact NE2-OG 3.06Å; C96-S117 WeakPolarHBondContact O-CA 3.47Å |
| 118 | L | 92.5 | Very high | 87.1 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 143 | 164.1 | -63.5 | -171.3 | 0 | 0 | 0 | 109.7 | T18 V20 L31 V95 C96 V97 A122 A125 K126 L129 | T18-L118 HydrophobicContact CG2-CD2 4.03Å; V20-L118 HydrophobicContact CG1-CD2 3.99Å; L31-L118 HydrophobicContact CD1-CD2 4.42Å; L31-L118 HydrophobicContact CD2-CD2 4.44Å; V95-L118 HydrophobicContact CG1-CD2 3.82Å; V95-L118 HydrophobicContact CG1-CG 4.36Å; C96-L118 PolarHBondContact O-N 3.35Å; V97-L118 HydrophobicContact CB-CD1 4.4Å; V97-L118 HydrophobicContact CG1-CD1 4.14Å; V97-L118 HydrophobicContact CG2-CD1 3.93Å; V97-L118 HydrophobicContact CG2-CG 4.31Å; L118-A122 HydrophobicContact CB-CB 4.14Å; L118-A125 HydrophobicContact CD1-CB 4.35Å; L118-K126 HydrophobicContact CD1-CB 4.12Å; L118-L129 HydrophobicContact CD1-CD1 4.19Å |
| 119 | D | 89.7 | Confident | 88.4 | Confident | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | trans | -59.9 | 151.3 | 171.7 | -177.9 | -103.9 | 0 | 0 | 0 | 111.1 | K19 G121 A122 | K19-D119 HydrophobicContact CB-CB 3.73Å; K19-D119 WeakPolarHBondContact O-CB 3.44Å; K19-D119 PolarHBondContact O-N 3.32Å; D119-G121 PolarHBondContact O-N 3.08Å; D119-G121 VanDerWaalsContact O-N 3.15Å; D119-G121 PolarHBondContact OD1-N 2.91Å; D119-A122 HydrophobicContact CB-CB 4.47Å; D119-A122 VanDerWaalsContact O-CB 3.23Å; D119-A122 WeakPolarHBondContact O-CB 3.49Å; D119-A122 PolarHBondContact O-N 3.27Å | ||
| 120 | V | 84.4 | Confident | 89.2 | Confident | 126 Ų | 126 | 41.2 Ų | 41.2 | 76% | 0.764 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.7 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | A122 | V120-A122 VanDerWaalsContact C-N 3.33Š|
| 121 | G | 85.8 | Confident | 89.9 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 62% | 0.619 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D119 S123 | D119-G121 PolarHBondContact O-N 3.08Å; D119-G121 VanDerWaalsContact O-N 3.15Å; D119-G121 PolarHBondContact OD1-N 2.91Å; G121-S123 PolarHBondContact O-N 3.37Å |
| 122 | A | 89.8 | Confident | 90.7 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | trans | -84.3 | 43.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | T18 L118 D119 V120 F124 A125 K126 | T18-A122 HydrophobicContact CG2-CB 3.58Å; L118-A122 HydrophobicContact CB-CB 4.14Å; D119-A122 HydrophobicContact CB-CB 4.47Å; D119-A122 VanDerWaalsContact O-CB 3.23Å; D119-A122 WeakPolarHBondContact O-CB 3.49Å; D119-A122 PolarHBondContact O-N 3.27Å; V120-A122 VanDerWaalsContact C-N 3.33Å; A122-F124 PolarHBondContact O-N 2.84Å; A122-A125 HydrophobicContact CB-CB 4.35Å; A122-A125 PolarHBondContact O-N 2.84Å; A122-K126 PolarHBondContact O-N 3.04Å; A122-K126 VanDerWaalsContact O-N 3.07Å | ||
| 123 | S | 87.7 | Confident | 91.2 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 55% | 0.545 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | G121 A125 K126 V127 | G121-S123 PolarHBondContact O-N 3.37Å; S123-A125 PolarHBondContact O-N 3.4Å; S123-K126 WeakPolarHBondContact O-CB 3.37Å; S123-K126 PolarHBondContact O-N 2.97Å; S123-V127 WeakPolarHBondContact O-CG2 3.44Å; S123-V127 PolarHBondContact O-N 2.78Å |
| 124 | F | 89.8 | Confident | 91.3 | Very high | 76 Ų | 76 | 32.4 Ų | 32.4 | 33% | 0.333 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.8 | -50.6 | 176.3 | 171.9 | -97.9 | 0 | 0 | 0 | 111.9 | A122 K126 V127 K128 D435 | A122-F124 PolarHBondContact O-N 2.84Å; F124-K126 PolarHBondContact O-N 3.03Å; F124-V127 PolarHBondContact O-N 3.36Å; F124-K128 VanDerWaalsContact O-CB 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.33Å; F124-K128 PolarHBondContact O-N 3.16Å; F124-D435 HydrophobicContact CD2-CB 4.29Å; F124-D435 HydrophobicContact CE2-CB 4.48Å |
| 125 | A | 93.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L15 T18 L118 A122 S123 K128 L129 | L15-A125 HydrophobicContact CD2-CB 3.73Å; T18-A125 HydrophobicContact CG2-CB 3.5Å; T18-A125 WeakPolarHBondContact OG1-CB 3.43Å; L118-A125 HydrophobicContact CD1-CB 4.35Å; A122-A125 HydrophobicContact CB-CB 4.35Å; A122-A125 PolarHBondContact O-N 2.84Å; S123-A125 PolarHBondContact O-N 3.4Å; A125-K128 PolarHBondContact O-N 2.99Å; A125-L129 VanDerWaalsContact O-CB 3.29Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 WeakPolarHBondContact O-CD1 3.09Å; A125-L129 WeakPolarHBondContact O-CG 3.35Å; A125-L129 PolarHBondContact O-N 3.39Å |
| 126 | K | 91.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.4 | -56.7 | 174 | 164.3 | 179.7 | 176.6 | 177.4 | 0 | 111.5 | V97 V98 P99 S100 L118 A122 S123 F124 K128 L129 M130 | V97-K126 HydrophobicContact CG1-CB 3.95Å; V97-K126 HydrophobicContact CG1-CD 4.34Å; V97-K126 HydrophobicContact CG1-CG 3.63Å; V98-K126 WeakPolarHBondContact O-CD 3.25Å; V98-K126 VanDerWaalsContact O-CE 3.29Å; V98-K126 WeakPolarHBondContact O-CE 3.3Å; V98-K126 PolarHBondContact O-NZ 2.83Å; P99-K126 VanDerWaalsContact C-NZ 3.34Å; S100-K126 PolarHBondContact OG-NZ 3.38Å; L118-K126 HydrophobicContact CD1-CB 4.12Å; A122-K126 PolarHBondContact O-N 3.04Å; A122-K126 VanDerWaalsContact O-N 3.07Å; S123-K126 WeakPolarHBondContact O-CB 3.37Å; S123-K126 PolarHBondContact O-N 2.97Å; F124-K126 PolarHBondContact O-N 3.03Å; K126-K128 VanDerWaalsContact C-N 3.34Å; K126-K128 PolarHBondContact O-N 3.38Å; K126-L129 PolarHBondContact O-N 3.42Å; K126-M130 HydrophobicContact CG-SD 4.04Å; K126-M130 WeakPolarHBondContact O-CG 3.08Å; K126-M130 PolarHBondContact O-N 3.4Å |
| 127 | V | 91 | Very high | 90.4 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | -176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | S123 F124 L129 M130 R131 | S123-V127 WeakPolarHBondContact O-CG2 3.44Å; S123-V127 PolarHBondContact O-N 2.78Å; F124-V127 PolarHBondContact O-N 3.36Å; V127-L129 PolarHBondContact O-N 3.23Å; V127-M130 PolarHBondContact O-N 3.35Å; V127-R131 HydrophobicContact CG1-CG 4.34Å; V127-R131 VanDerWaalsContact CG1-CZ 3.41Å; V127-R131 WeakPolarHBondContact O-CG 3.1Å; V127-R131 PolarHBondContact O-N 3.42Å |
| 128 | K | 92.7 | Very high | 90.4 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 177.1 | -172.1 | 72.5 | 173.9 | -173.4 | 0 | 111.8 | S11 L15 F124 A125 K126 L132 | S11-K128 WeakPolarHBondContact OG-CE 3.46Å; L15-K128 HydrophobicContact CD2-CB 4.17Å; L15-K128 HydrophobicContact CD2-CG 4.17Å; F124-K128 VanDerWaalsContact O-CB 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.33Å; F124-K128 PolarHBondContact O-N 3.16Å; A125-K128 PolarHBondContact O-N 2.99Å; K126-K128 VanDerWaalsContact C-N 3.34Å; K126-K128 PolarHBondContact O-N 3.38Å; K128-L132 WeakPolarHBondContact O-CB 3.5Å; K128-L132 PolarHBondContact O-N 2.83Å |
| 129 | L | 95.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.5 | -73.8 | 166.3 | 0 | 0 | 0 | 112 | F8 L15 I43 F45 V97 L118 A125 K126 V127 L132 F133 | F8-L129 HydrophobicContact CE2-CD2 4.41Å; L15-L129 HydrophobicContact CD1-CD2 3.86Å; L15-L129 HydrophobicContact CD1-CG 4.23Å; L15-L129 HydrophobicContact CD2-CG 4.38Å; I43-L129 HydrophobicContact CG1-CD2 4.48Å; I43-L129 HydrophobicContact CG2-CD1 4.07Å; I43-L129 HydrophobicContact CG2-CD2 4.44Å; F45-L129 HydrophobicContact CE1-CB 4.04Å; F45-L129 HydrophobicContact CZ-CB 3.89Å; V97-L129 HydrophobicContact CG2-CD1 4.16Å; L118-L129 HydrophobicContact CD1-CD1 4.19Å; A125-L129 VanDerWaalsContact O-CB 3.29Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 WeakPolarHBondContact O-CD1 3.09Å; A125-L129 WeakPolarHBondContact O-CG 3.35Å; A125-L129 PolarHBondContact O-N 3.39Å; K126-L129 PolarHBondContact O-N 3.42Å; V127-L129 PolarHBondContact O-N 3.23Å; L129-L132 PolarHBondContact O-N 2.9Å; L129-F133 HydrophobicContact CD2-CD2 4.37Å; L129-F133 HydrophobicContact CD2-CE2 3.8Å; L129-F133 WeakPolarHBondContact O-CD2 3.17Å; L129-F133 PolarHBondContact O-N 2.95Å |
| 130 | M | 93 | Very high | 90.7 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 176.5 | -74 | 177.9 | 51.5 | 0 | 0 | 112.5 | F45 K126 V127 H134 V135 F408 | F45-M130 HydrophobicContact CD1-CG 3.71Å; F45-M130 HydrophobicContact CE1-CB 4.31Å; F45-M130 HydrophobicContact CE1-CG 3.52Å; K126-M130 HydrophobicContact CG-SD 4.04Å; K126-M130 WeakPolarHBondContact O-CG 3.08Å; K126-M130 PolarHBondContact O-N 3.4Å; V127-M130 PolarHBondContact O-N 3.35Å; M130-H134 WeakPolarHBondContact O-CA 3.37Å; M130-H134 PolarHBondContact O-N 3.31Å; M130-V135 PolarHBondContact O-N 3.32Å; M130-F408 HydrophobicContact CB-CB 4.05Å; M130-F408 HydrophobicContact CB-CD1 4.24Å; M130-F408 HydrophobicContact CE-CB 4.08Å; M130-F408 HydrophobicContact CE-CD1 4.49Å; M130-F408 WeakPolarHBondContact CE-O 3.17Å |
| 131 | R | 92.2 | Very high | 91.3 | Very high | 55 Ų | 55 | 35 Ų | 35 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 175.1 | -70.5 | 175.2 | -175.8 | 162.1 | 3.8 | 110.9 | V127 F133 H134 V332 D406 F408 | V127-R131 HydrophobicContact CG1-CG 4.34Å; V127-R131 VanDerWaalsContact CG1-CZ 3.41Å; V127-R131 WeakPolarHBondContact O-CG 3.1Å; V127-R131 PolarHBondContact O-N 3.42Å; R131-F133 PolarHBondContact O-N 2.96Å; R131-H134 PolarHBondContact O-N 3.49Å; R131-V332 HydrophobicContact CG-CG2 4.38Å; R131-D406 IonicContact CZ-OD2 3.95Å; R131-D406 IonicContact NE-OD1 3.93Å; R131-D406 IonicContact NE-OD2 3.67Å; R131-D406 PolarHBondContact NE-OD2 2.71Å; R131-D406 IonicContact NH2-OD2 2.79Å; R131-D406 PolarHBondContact NH2-OD2 2.93Å; R131-F408 HydrophobicContact CB-CD2 4.26Å; R131-F408 HydrophobicContact CB-CG 4.49Å; R131-F408 HydrophobicContact CG-CB 3.75Å; R131-F408 HydrophobicContact CG-CD2 3.6Å; R131-F408 HydrophobicContact CG-CE2 4.46Å; R131-F408 HydrophobicContact CG-CG 3.86Å |
| 132 | L | 92.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | -175.5 | 175.9 | 63.6 | 0 | 0 | 0 | 113.2 | Y4 R7 F8 K128 L129 H134 | Y4-L132 WeakPolarHBondContact CD1-O 3.44Å; Y4-L132 WeakPolarHBondContact CE1-O 3.22Å; R7-L132 HydrophobicContact CB-CD1 3.32Å; F8-L132 HydrophobicContact CB-CD2 3.97Å; F8-L132 HydrophobicContact CD2-CD2 3.52Å; F8-L132 HydrophobicContact CE2-CD2 4.46Å; F8-L132 HydrophobicContact CG-CD2 4.2Å; K128-L132 WeakPolarHBondContact O-CB 3.5Å; K128-L132 PolarHBondContact O-N 2.83Å; L129-L132 PolarHBondContact O-N 2.9Å; L132-H134 VanDerWaalsContact C-N 3.34Å |
| 133 | F | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -93.1 | 2.2 | 179 | -63.2 | -59.7 | 0 | 0 | 0 | 113.4 | F8 I43 F45 L129 R131 V135 T142 V144 V151 I154 | F8-F133 HydrophobicContact CD2-CE1 4.22Å; F8-F133 HydrophobicContact CD2-CE2 4.11Å; F8-F133 AromaticContact CD2-CZ 3.44Å; F8-F133 HydrophobicContact CD2-CZ 3.44Å; F8-F133 VanDerWaalsContact CD2-CZ 3.44Å; F8-F133 HydrophobicContact CE2-CE2 4.3Å; F8-F133 AromaticContact CE2-CZ 3.88Å; F8-F133 HydrophobicContact CE2-CZ 3.88Å; F8-F133 HydrophobicContact CG-CZ 4.31Å; I43-F133 HydrophobicContact CG1-CE2 4.33Å; F45-F133 HydrophobicContact CE2-CB 4.49Å; F45-F133 HydrophobicContact CE2-CD2 4.13Å; F45-F133 AromaticContact CZ-CD2 3.99Å; F45-F133 HydrophobicContact CZ-CD2 3.99Å; L129-F133 HydrophobicContact CD2-CD2 4.37Å; L129-F133 HydrophobicContact CD2-CE2 3.8Å; L129-F133 WeakPolarHBondContact O-CD2 3.17Å; L129-F133 PolarHBondContact O-N 2.95Å; R131-F133 PolarHBondContact O-N 2.96Å; F133-V135 HydrophobicContact CB-CG2 3.99Å; F133-V135 PolarHBondContact O-N 2.89Å; F133-T142 HydrophobicContact CB-CG2 3.74Å; F133-T142 HydrophobicContact CD1-CG2 3.87Å; F133-T142 HydrophobicContact CD2-CG2 3.74Å; F133-T142 HydrophobicContact CE1-CG2 4.36Å; F133-T142 HydrophobicContact CE2-CG2 4.23Å; F133-T142 HydrophobicContact CG-CG2 3.51Å; F133-V144 HydrophobicContact CZ-CG2 4.18Å; F133-V151 HydrophobicContact CD1-CG1 4.4Å; F133-V151 HydrophobicContact CE1-CB 4.49Å; F133-V151 HydrophobicContact CE1-CG1 3.75Å; F133-V151 HydrophobicContact CE1-CG2 3.82Å; F133-V151 HydrophobicContact CZ-CG2 4.4Å; F133-I154 HydrophobicContact CD1-CG2 4.12Å |
| 134 | H | 90.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 55.6 | 174.6 | -157.8 | 91.1 | 0 | 0 | 0 | 111.6 | M130 R131 L132 R136 Q278 D330 D331 F408 | M130-H134 WeakPolarHBondContact O-CA 3.37Å; M130-H134 PolarHBondContact O-N 3.31Å; R131-H134 PolarHBondContact O-N 3.49Å; L132-H134 VanDerWaalsContact C-N 3.34Å; H134-R136 PolarHBondContact CD2-NE 3.46Å; H134-R136 PolarHBondContact CD2-NH2 2.87Å; H134-R136 VanDerWaalsContact CD2-NH2 3.27Å; H134-R136 PolarHBondContact NE2-NE 3.13Å; H134-R136 PolarHBondContact NE2-NH2 3.07Å; H134-R136 PolarHBondContact O-N 2.92Å; H134-Q278 PolarHBondContact O-NE2 3.33Å; H134-D330 PolarHBondContact CE1-O 2.92Å; H134-D330 PolarHBondContact NE2-O 2.72Å; H134-D331 IonicContact CE1-OD1 3.14Å; H134-D331 PolarHBondContact CE1-OD1 2.89Å; H134-D331 VanDerWaalsContact CE1-OD1 3.28Å; H134-D331 IonicContact NE2-OD1 2.89Å; H134-F408 AromaticContact CE1-CZ 3.8Å; H134-F408 AromaticContact ND1-CZ 3.63Å |
| 135 | V | 91 | Very high | 93.2 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 9% | 0.085 | 12% | 0.121 | C | C | . | . | trans | -80.6 | 103.7 | -171.2 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | F45 M130 F133 C140 | F45-V135 HydrophobicContact CB-CG1 3.88Å; F45-V135 HydrophobicContact CD1-CB 4.47Å; F45-V135 HydrophobicContact CD1-CG1 4.22Å; F45-V135 HydrophobicContact CD1-CG2 3.97Å; F45-V135 HydrophobicContact CD2-CG1 4.22Å; F45-V135 HydrophobicContact CD2-CG2 3.62Å; F45-V135 HydrophobicContact CE1-CG2 3.87Å; F45-V135 HydrophobicContact CE2-CG2 3.52Å; F45-V135 HydrophobicContact CG-CB 4.41Å; F45-V135 HydrophobicContact CG-CG1 3.85Å; F45-V135 HydrophobicContact CG-CG2 3.85Å; F45-V135 HydrophobicContact CZ-CG2 3.64Å; M130-V135 PolarHBondContact O-N 3.32Å; F133-V135 HydrophobicContact CB-CG2 3.99Å; F133-V135 PolarHBondContact O-N 2.89Å; V135-C140 HydrophobicContact CG1-CB 4Å | ||
| 136 | R | 84 | Confident | 93.3 | Very high | 75 Ų | 75 | 27.7 Ų | 27.7 | 28% | 0.283 | 12% | 0.124 | S | C | . | . | trans | -96.6 | -15.2 | -179.5 | -51.9 | -175.1 | -158.4 | -144.1 | -8.1 | 114.6 | H134 Q278 D330 E371 | H134-R136 PolarHBondContact CD2-NE 3.46Å; H134-R136 PolarHBondContact CD2-NH2 2.87Å; H134-R136 VanDerWaalsContact CD2-NH2 3.27Å; H134-R136 PolarHBondContact NE2-NE 3.13Å; H134-R136 PolarHBondContact NE2-NH2 3.07Å; H134-R136 PolarHBondContact O-N 2.92Å; R136-Q278 VanDerWaalsContact CD-OE1 3.28Å; R136-D330 VanDerWaalsContact NH1-CB 3.3Å; R136-D330 IonicContact NH1-OD1 3.91Å; R136-D330 PolarHBondContact NH1-OD1 2.8Å; R136-D330 IonicContact NH1-OD2 2.76Å; R136-D330 PolarHBondContact NH1-OD2 2.82Å; R136-E371 IonicContact NH2-OE1 2.66Å | ||
| 137 | R | 86.4 | Confident | 93.4 | Very high | 121 Ų | 121 | 31 Ų | 31 | 46% | 0.457 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -151.3 | 159.1 | -175.5 | 65.9 | 179.4 | -176.8 | 79.2 | 1.7 | 111.6 | P139 C140 D155 | R137-P139 PolarHBondContact NH1-O 3.36Å; R137-C140 VanDerWaalsContact O-CB 3.28Å; R137-C140 WeakPolarHBondContact O-CB 3.44Å; R137-D155 IonicContact CZ-OD2 3.53Å; R137-D155 IonicContact NH2-OD1 2.75Å; R137-D155 IonicContact NH2-OD2 2.89Å; R137-D155 PolarHBondContact NH2-OD2 2.83Å |
| 138 | V | 90.7 | Very high | 93.6 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -122.7 | 147.9 | 171.2 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | F45 H47 | F45-V138 HydrophobicContact CB-CG1 4.16Å; H47-V138 HydrophobicContact CB-CG2 4.1Å |
| 139 | P | 93.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 8% | 0.078 | 15% | 0.153 | C | C | . | . | S | Bend | cis | -66.9 | 144.8 | -5.5 | 29.4 | -34.9 | 0 | 0 | 0 | 112 | Y44 F56 R137 | Y44-P139 HydrophobicContact CE2-CB 3.67Å; F56-P139 HydrophobicContact CB-CB 4.2Å; F56-P139 HydrophobicContact CB-CG 3.84Å; F56-P139 HydrophobicContact CD1-CB 3.69Å; F56-P139 HydrophobicContact CD1-CG 4.15Å; F56-P139 HydrophobicContact CE1-CB 4.37Å; F56-P139 HydrophobicContact CG-CB 4.05Å; F56-P139 HydrophobicContact CG-CG 3.98Å; R137-P139 PolarHBondContact NH1-O 3.36Å |
| 140 | C | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 120.7 | 170.5 | 174 | 0 | 0 | 0 | 0 | 108.3 | F45 V135 R137 I154 | F45-C140 HydrophobicContact CB-CB 4.26Å; F45-C140 HydrophobicContact CD2-CB 4.34Å; F45-C140 PolarHBondContact N-O 3Å; F45-C140 PolarHBondContact O-N 3.16Å; F45-C140 VanDerWaalsContact O-N 3.08Å; V135-C140 HydrophobicContact CG1-CB 4Å; R137-C140 VanDerWaalsContact O-CB 3.28Å; R137-C140 WeakPolarHBondContact O-CB 3.44Å; C140-I154 PolarHBondContact SG-O 3.46Å; C140-I154 VanDerWaalsContact SG-O 3.4Å |
| 141 | L | 97.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.4 | -178.7 | -170.9 | 71.1 | 0 | 0 | 0 | 108.6 | A42 Y44 F56 L60 D155 C156 C157 V160 | A42-L141 HydrophobicContact CB-CD1 3.7Å; A42-L141 HydrophobicContact CB-CG 4.12Å; Y44-L141 HydrophobicContact CD2-CD1 3.97Å; Y44-L141 HydrophobicContact CG-CD1 3.88Å; F56-L141 HydrophobicContact CE1-CB 4.17Å; F56-L141 HydrophobicContact CE1-CD2 4.29Å; F56-L141 HydrophobicContact CZ-CB 4.14Å; F56-L141 HydrophobicContact CZ-CD2 3.94Å; L60-L141 HydrophobicContact CD1-CD2 3.92Å; L60-L141 HydrophobicContact CD2-CD1 4.19Å; L60-L141 HydrophobicContact CD2-CD2 4.28Å; L141-D155 CarbonylContact O-C 3.57Å; L141-D155 VanDerWaalsContact O-CA 3.3Å; L141-D155 WeakPolarHBondContact O-CA 3.43Å; L141-C156 PolarHBondContact O-N 3.25Å; L141-C156 PolarHBondContact O-SG 2.81Å; L141-C157 PolarHBondContact N-SG 2.82Å; L141-C157 VanDerWaalsContact N-SG 3.43Å; L141-V160 HydrophobicContact CD2-CG2 3.77Å |
| 142 | T | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 153.3 | 171.7 | 67.6 | 0 | 0 | 0 | 0 | 108.8 | A42 I43 F45 F133 S153 I154 | A42-T142 CarbonylContact C-O 3.58Å; A42-T142 WeakPolarHBondContact CA-O 3.25Å; A42-T142 WeakPolarHBondContact CB-O 3.44Å; I43-T142 WeakPolarHBondContact CB-OG1 3.36Å; I43-T142 PolarHBondContact N-O 3.05Å; I43-T142 PolarHBondContact N-OG1 3.49Å; I43-T142 PolarHBondContact O-N 3.03Å; I43-T142 PolarHBondContact O-OG1 2.8Å; I43-T142 VanDerWaalsContact O-OG1 3.09Å; F45-T142 HydrophobicContact CE2-CG2 3.86Å; F133-T142 HydrophobicContact CB-CG2 3.74Å; F133-T142 HydrophobicContact CD1-CG2 3.87Å; F133-T142 HydrophobicContact CD2-CG2 3.74Å; F133-T142 HydrophobicContact CE1-CG2 4.36Å; F133-T142 HydrophobicContact CE2-CG2 4.23Å; F133-T142 HydrophobicContact CG-CG2 3.51Å; T142-S153 CarbonylContact C-O 3.54Å; T142-S153 WeakPolarHBondContact CA-O 3.24Å; T142-I154 VanDerWaalsContact CG2-O 3.23Å; T142-I154 WeakPolarHBondContact CG2-O 3.5Å |
| 143 | L | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.7 | 178.4 | -174.3 | 67.5 | 0 | 0 | 0 | 110.2 | F40 A42 L92 C152 S153 F169 P170 W171 | F40-L143 HydrophobicContact CB-CD1 3.91Å; F40-L143 HydrophobicContact CD1-CD1 4.47Å; F40-L143 HydrophobicContact CD1-CG 4.4Å; A42-L143 HydrophobicContact CB-CD1 4.15Å; L92-L143 HydrophobicContact CD1-CD1 3.85Å; L143-C152 HydrophobicContact CB-CB 4.38Å; L143-C152 HydrophobicContact CD2-CB 4.24Å; L143-C152 HydrophobicContact CG-CB 4.29Å; L143-C152 PolarHBondContact O-N 2.99Å; L143-S153 PolarHBondContact N-O 2.84Å; L143-S153 PolarHBondContact O-N 3.34Å; L143-F169 HydrophobicContact CD1-CE2 4.25Å; L143-F169 HydrophobicContact CD1-CZ 4.4Å; L143-F169 HydrophobicContact CD2-CD2 4.28Å; L143-F169 HydrophobicContact CD2-CE2 3.63Å; L143-F169 HydrophobicContact CD2-CZ 4.11Å; L143-P170 HydrophobicContact CD2-CB 3.77Å; L143-P170 VanDerWaalsContact CD2-O 3.25Å; L143-P170 WeakPolarHBondContact CD2-O 3.42Å; L143-W171 HydrophobicContact CD2-CE3 3.91Å; L143-W171 HydrophobicContact CD2-CZ3 4.29Å |
| 144 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.3 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 110 | F8 F35 F40 V41 F133 E150 V151 | F8-V144 HydrophobicContact CD1-CG1 4.09Å; F8-V144 HydrophobicContact CE1-CG1 3.59Å; F8-V144 HydrophobicContact CE1-CG2 4.3Å; F8-V144 HydrophobicContact CE2-CG2 4.32Å; F8-V144 HydrophobicContact CZ-CG1 4.1Å; F8-V144 HydrophobicContact CZ-CG2 4.18Å; F35-V144 HydrophobicContact CE1-CB 4.39Å; F35-V144 HydrophobicContact CE1-CG1 3.87Å; F35-V144 HydrophobicContact CZ-CG1 4.4Å; F40-V144 VanDerWaalsContact CA-O 3.26Å; F40-V144 WeakPolarHBondContact CA-O 3.49Å; V41-V144 PolarHBondContact N-O 2.9Å; V41-V144 PolarHBondContact O-N 2.9Å; F133-V144 HydrophobicContact CZ-CG2 4.18Å; V144-E150 CarbonylContact C-O 3.5Å; V144-E150 WeakPolarHBondContact CA-O 3.25Å; V144-V151 HydrophobicContact CG2-CG2 4.28Å |
| 145 | R | 97.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 23% | 0.234 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.3 | 168.4 | -172.6 | -170 | -51.8 | -80.2 | -0.7 | 109.7 | F40 S147 S148 M149 E150 | F40-R145 HydrophobicContact CD1-CB 4.03Å; F40-R145 HydrophobicContact CD1-CG 4.34Å; F40-R145 HydrophobicContact CE1-CB 3.83Å; F40-R145 HydrophobicContact CE1-CG 3.88Å; F40-R145 HydrophobicContact CZ-CG 4.41Å; R145-S147 WeakPolarHBondContact CD-OG 3.37Å; R145-S148 WeakPolarHBondContact CD-OG 3.36Å; R145-M149 WeakPolarHBondContact O-CA 3.29Å; R145-M149 PolarHBondContact O-N 3.12Å; R145-E150 HydrophobicContact CB-CB 4.28Å; R145-E150 IonicContact CZ-OE2 2.83Å; R145-E150 PolarHBondContact N-O 2.81Å; R145-E150 IonicContact NE-OE2 3.3Å; R145-E150 PolarHBondContact NE-OE2 3.28Å; R145-E150 IonicContact NH2-OE2 3.04Å; R145-E150 PolarHBondContact O-N 2.93Å |
| 146 | T | 96.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 29 Ų | 29 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -29.2 | -171.5 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | F35 Y38 Q39 V41 S148 M149 | F35-T146 HydrophobicContact CB-CG2 4.25Å; F35-T146 HydrophobicContact CD1-CG2 3.74Å; F35-T146 HydrophobicContact CE1-CG2 4.3Å; F35-T146 HydrophobicContact CG-CG2 4.09Å; F35-T146 VanDerWaalsContact O-CB 3.3Å; F35-T146 WeakPolarHBondContact O-CB 3.33Å; F35-T146 PolarHBondContact O-OG1 2.66Å; Y38-T146 WeakPolarHBondContact O-CB 3.22Å; Y38-T146 WeakPolarHBondContact O-CG2 3.27Å; Y38-T146 PolarHBondContact O-OG1 3.28Å; Q39-T146 PolarHBondContact O-N 2.92Å; Q39-T146 PolarHBondContact O-OG1 2.64Å; Q39-T146 VanDerWaalsContact O-OG1 3.13Å; V41-T146 HydrophobicContact CB-CG2 4.43Å; V41-T146 HydrophobicContact CG2-CG2 3.7Å; T146-S148 PolarHBondContact O-N 3.5Å; T146-M149 VanDerWaalsContact O-SD 3.4Å |
| 147 | S | 94.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 25.8 Ų | 25.8 | 70% | 0.699 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -35.5 | -177.2 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | R145 | R145-S147 WeakPolarHBondContact CD-OG 3.37Š|
| 148 | S | 94.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 22.1 Ų | 22.1 | 31% | 0.308 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -1.6 | -178.5 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | R9 R145 T146 E150 | R9-S148 VanDerWaalsContact CZ-O 3.29Å; R9-S148 PolarHBondContact NE-O 3.49Å; R9-S148 PolarHBondContact NH2-O 2.86Å; R145-S148 WeakPolarHBondContact CD-OG 3.36Å; T146-S148 PolarHBondContact O-N 3.5Å; S148-E150 PolarHBondContact O-N 2.76Å; S148-E150 VanDerWaalsContact O-N 3.15Å; S148-E150 WeakPolarHBondContact OG-CB 3.24Å; S148-E150 PolarHBondContact OG-N 3.47Å |
| 149 | M | 96.2 | Very high | 96 | Very high | 28 Ų | 28 | 20.6 Ų | 20.6 | 14% | 0.138 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 30.2 | -172.1 | -54.5 | -59.2 | -87.2 | 0 | 0 | 112.5 | F8 R9 Y12 F35 R145 T146 | F8-M149 HydrophobicContact CD1-CB 4.44Å; F8-M149 HydrophobicContact CD1-CE 4.47Å; F8-M149 HydrophobicContact CE1-CB 4.48Å; F8-M149 HydrophobicContact CE1-CE 3.61Å; F8-M149 HydrophobicContact CE1-SD 4.46Å; F8-M149 HydrophobicContact CZ-CE 4.33Å; R9-M149 HydrophobicContact CG-CB 3.66Å; Y12-M149 HydrophobicContact CD1-CE 3.28Å; Y12-M149 HydrophobicContact CD2-CE 3.26Å; Y12-M149 HydrophobicContact CE1-CE 3.48Å; Y12-M149 VanDerWaalsContact CE1-CE 3.48Å; Y12-M149 HydrophobicContact CE2-CE 3.47Å; Y12-M149 VanDerWaalsContact CE2-CE 3.47Å; Y12-M149 HydrophobicContact CG-CE 3.13Å; F35-M149 HydrophobicContact CD1-CE 3.69Å; F35-M149 HydrophobicContact CD1-SD 3.61Å; F35-M149 HydrophobicContact CE1-CE 3.76Å; F35-M149 HydrophobicContact CE1-SD 3.89Å; R145-M149 WeakPolarHBondContact O-CA 3.29Å; R145-M149 PolarHBondContact O-N 3.12Å; T146-M149 VanDerWaalsContact O-SD 3.4Å |
| 150 | E | 96.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 20.2 Ų | 20.2 | 28% | 0.28 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.8 | 177.5 | 176.8 | -166.7 | -163.7 | 0 | 0 | 109.4 | V144 R145 S148 C152 | V144-E150 CarbonylContact C-O 3.5Å; V144-E150 WeakPolarHBondContact CA-O 3.25Å; R145-E150 HydrophobicContact CB-CB 4.28Å; R145-E150 IonicContact CZ-OE2 2.83Å; R145-E150 PolarHBondContact N-O 2.81Å; R145-E150 IonicContact NE-OE2 3.3Å; R145-E150 PolarHBondContact NE-OE2 3.28Å; R145-E150 IonicContact NH2-OE2 3.04Å; R145-E150 PolarHBondContact O-N 2.93Å; S148-E150 PolarHBondContact O-N 2.76Å; S148-E150 VanDerWaalsContact O-N 3.15Å; S148-E150 WeakPolarHBondContact OG-CB 3.24Å; S148-E150 PolarHBondContact OG-N 3.47Å; E150-C152 PolarHBondContact O-N 3.43Å |
| 151 | V | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 106.1 | 169.2 | -177 | 0 | 0 | 0 | 0 | 107.1 | M1 T5 F8 F133 V144 I154 | M1-V151 HydrophobicContact CE-CB 4.05Å; M1-V151 HydrophobicContact CE-CG1 3.53Å; M1-V151 WeakPolarHBondContact CE-O 3.47Å; T5-V151 PolarHBondContact OG1-N 3.33Å; F8-V151 HydrophobicContact CB-CG2 3.63Å; F8-V151 HydrophobicContact CD1-CG2 4.35Å; F8-V151 HydrophobicContact CG-CG2 3.95Å; F133-V151 HydrophobicContact CD1-CG1 4.4Å; F133-V151 HydrophobicContact CE1-CB 4.49Å; F133-V151 HydrophobicContact CE1-CG1 3.75Å; F133-V151 HydrophobicContact CE1-CG2 3.82Å; F133-V151 HydrophobicContact CZ-CG2 4.4Å; V144-V151 HydrophobicContact CG2-CG2 4.28Å; V151-I154 HydrophobicContact CG1-CG2 4.06Å |
| 152 | C | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -39.4 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | L143 E150 P170 C172 P173 | L143-C152 HydrophobicContact CB-CB 4.38Å; L143-C152 HydrophobicContact CD2-CB 4.24Å; L143-C152 HydrophobicContact CG-CB 4.29Å; L143-C152 PolarHBondContact O-N 2.99Å; E150-C152 PolarHBondContact O-N 3.43Å; C152-P170 HydrophobicContact CB-CB 4.4Å; C152-P170 WeakPolarHBondContact CB-O 3.39Å; C152-C172 VanDerWaalsContact SG-SG 3.64Å; C152-P173 WeakPolarHBondContact O-CD 3.38Å |
| 153 | S | 95.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 143.8 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | T142 L143 D155 C156 | T142-S153 CarbonylContact C-O 3.54Å; T142-S153 WeakPolarHBondContact CA-O 3.24Å; L143-S153 PolarHBondContact N-O 2.84Å; L143-S153 PolarHBondContact O-N 3.34Å; S153-D155 VanDerWaalsContact OG-C 3.27Å; S153-D155 PolarHBondContact OG-N 2.78Å; S153-D155 PolarHBondContact OG-O 3.01Å; S153-C156 PolarHBondContact OG-N 3.14Å |
| 154 | I | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -89.2 | -15.8 | 171.5 | 64.7 | 169.5 | 0 | 0 | 0 | 112.8 | M1 Y4 F133 C140 T142 V151 C276 | M1-I154 HydrophobicContact CE-CG2 4Å; M1-I154 HydrophobicContact SD-CG2 4.38Å; Y4-I154 HydrophobicContact CD1-CG2 3.9Å; Y4-I154 HydrophobicContact CD2-CG2 3.62Å; Y4-I154 HydrophobicContact CE1-CG2 4.16Å; Y4-I154 HydrophobicContact CE2-CD1 3.79Å; Y4-I154 HydrophobicContact CE2-CG2 3.9Å; Y4-I154 HydrophobicContact CG-CG2 3.63Å; F133-I154 HydrophobicContact CD1-CG2 4.12Å; C140-I154 PolarHBondContact SG-O 3.46Å; C140-I154 VanDerWaalsContact SG-O 3.4Å; T142-I154 VanDerWaalsContact CG2-O 3.23Å; T142-I154 WeakPolarHBondContact CG2-O 3.5Å; V151-I154 HydrophobicContact CG1-CG2 4.06Å; I154-C276 HydrophobicContact CD1-CB 3.82Å |
| 155 | D | 94.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | trans | -157.6 | 94.4 | 177.5 | -174.5 | -6 | 0 | 0 | 0 | 109.3 | R137 L141 S153 C157 K273 | R137-D155 IonicContact CZ-OD2 3.53Å; R137-D155 IonicContact NH2-OD1 2.75Å; R137-D155 IonicContact NH2-OD2 2.89Å; R137-D155 PolarHBondContact NH2-OD2 2.83Å; L141-D155 CarbonylContact O-C 3.57Å; L141-D155 VanDerWaalsContact O-CA 3.3Å; L141-D155 WeakPolarHBondContact O-CA 3.43Å; S153-D155 VanDerWaalsContact OG-C 3.27Å; S153-D155 PolarHBondContact OG-N 2.78Å; S153-D155 PolarHBondContact OG-O 3.01Å; D155-C157 PolarHBondContact OD1-N 3.1Å; D155-K273 PolarHBondContact O-NZ 3.43Å | ||
| 156 | C | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -103.7 | 17.4 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | L141 S153 S158 E159 V160 W171 | L141-C156 PolarHBondContact O-N 3.25Å; L141-C156 PolarHBondContact O-SG 2.81Å; S153-C156 PolarHBondContact OG-N 3.14Å; C156-S158 VanDerWaalsContact C-N 3.28Å; C156-S158 PolarHBondContact O-N 3.33Å; C156-E159 WeakPolarHBondContact CA-OE2 3.41Å; C156-E159 HydrophobicContact CB-CB 4.29Å; C156-E159 PolarHBondContact O-N 2.76Å; C156-E159 VanDerWaalsContact O-N 3.12Å; C156-V160 WeakPolarHBondContact O-CG2 3.39Å; C156-V160 PolarHBondContact O-N 2.95Å; C156-W171 HydrophobicContact CB-CE3 3.8Å; C156-W171 HydrophobicContact CB-CZ3 4.23Å | ||
| 157 | C | 95.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.054 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -40 | 179.1 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | F56 L141 D155 E159 Q161 | F56-C157 HydrophobicContact CD2-CB 4.27Å; F56-C157 HydrophobicContact CE2-CB 3.67Å; F56-C157 WeakPolarHBondContact CE2-O 3.33Å; F56-C157 HydrophobicContact CZ-CB 3.86Å; F56-C157 WeakPolarHBondContact CZ-SG 3.43Å; L141-C157 PolarHBondContact N-SG 2.82Å; L141-C157 VanDerWaalsContact N-SG 3.43Å; D155-C157 PolarHBondContact OD1-N 3.1Å; C157-E159 VanDerWaalsContact C-N 3.32Å; C157-E159 PolarHBondContact O-N 2.86Å; C157-Q161 WeakPolarHBondContact O-CG 3.41Å; C157-Q161 PolarHBondContact O-N 2.79Å |
| 158 | S | 92.7 | Very high | 94.6 | Very high | 43 Ų | 43 | 39 Ų | 39 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.7 | -32.4 | 178 | -174 | 0 | 0 | 0 | 0 | 112.3 | C156 Q161 N162 | C156-S158 VanDerWaalsContact C-N 3.28Å; C156-S158 PolarHBondContact O-N 3.33Å; S158-Q161 WeakPolarHBondContact O-CB 3.28Å; S158-Q161 PolarHBondContact O-N 2.79Å; S158-N162 VanDerWaalsContact O-CB 3.28Å; S158-N162 WeakPolarHBondContact O-CB 3.43Å; S158-N162 VanDerWaalsContact O-CG 3.22Å; S158-N162 PolarHBondContact O-N 3.19Å; S158-N162 PolarHBondContact O-ND2 3.31Å; S158-N162 VanDerWaalsContact O-ND2 3.1Å; S158-N162 PolarHBondContact OG-ND2 2.85Å |
| 159 | E | 94.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.2 | -42.3 | 179.3 | -73 | 70.7 | -164.4 | 0 | 0 | 111.1 | C156 C157 Q161 N162 D163 W171 K273 | C156-E159 WeakPolarHBondContact CA-OE2 3.41Å; C156-E159 HydrophobicContact CB-CB 4.29Å; C156-E159 PolarHBondContact O-N 2.76Å; C156-E159 VanDerWaalsContact O-N 3.12Å; C157-E159 VanDerWaalsContact C-N 3.32Å; C157-E159 PolarHBondContact O-N 2.86Å; E159-Q161 PolarHBondContact O-N 3.5Å; E159-N162 PolarHBondContact O-N 2.69Å; E159-D163 WeakPolarHBondContact O-CA 3.46Å; E159-D163 WeakPolarHBondContact O-CB 3.36Å; E159-D163 PolarHBondContact O-N 3.3Å; E159-W171 HydrophobicContact CB-CB 4.29Å; E159-W171 HydrophobicContact CB-CD2 3.55Å; E159-W171 HydrophobicContact CB-CE3 4.1Å; E159-W171 HydrophobicContact CB-CG 3.63Å; E159-W171 HydrophobicContact CB-CZ2 4.25Å; E159-W171 HydrophobicContact CG-CB 3.96Å; E159-W171 HydrophobicContact CG-CD2 4.21Å; E159-W171 HydrophobicContact CG-CG 3.74Å; E159-K273 WeakPolarHBondContact OE1-CD 3.34Å; E159-K273 WeakPolarHBondContact OE1-CE 3.37Å; E159-K273 IonicContact OE1-NZ 2.98Å; E159-K273 PolarHBondContact OE1-NZ 3.07Å; E159-K273 IonicContact OE2-NZ 3.77Å; E159-K273 PolarHBondContact OE2-NZ 3.06Å |
| 160 | V | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.3 | -38.9 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | F56 Q59 L60 F63 L141 C156 W171 | F56-V160 HydrophobicContact CE2-CB 4Å; F56-V160 HydrophobicContact CE2-CG1 4.01Å; F56-V160 HydrophobicContact CZ-CB 4.22Å; F56-V160 HydrophobicContact CZ-CG1 4.28Å; F56-V160 HydrophobicContact CZ-CG2 4.31Å; Q59-V160 HydrophobicContact CB-CG1 4.47Å; L60-V160 HydrophobicContact CB-CG1 4.45Å; L60-V160 HydrophobicContact CD1-CG1 4.3Å; L60-V160 HydrophobicContact CD1-CG2 4.35Å; F63-V160 HydrophobicContact CB-CG1 4.07Å; F63-V160 HydrophobicContact CG-CG1 4.47Å; L141-V160 HydrophobicContact CD2-CG2 3.77Å; C156-V160 WeakPolarHBondContact O-CG2 3.39Å; C156-V160 PolarHBondContact O-N 2.95Å; V160-W171 HydrophobicContact CG2-CH2 3.66Å; V160-W171 HydrophobicContact CG2-CZ3 3.91Å |
| 161 | Q | 94.2 | Very high | 94.4 | Very high | 90 Ų | 90 | 34.7 Ų | 34.7 | 42% | 0.421 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.7 | -44 | 177.6 | -75.8 | 173.3 | 0.9 | 0 | 0 | 113.6 | Q59 C157 S158 E159 | Q59-Q161 VanDerWaalsContact OE1-CD 3.29Å; C157-Q161 WeakPolarHBondContact O-CG 3.41Å; C157-Q161 PolarHBondContact O-N 2.79Å; S158-Q161 WeakPolarHBondContact O-CB 3.28Å; S158-Q161 PolarHBondContact O-N 2.79Å; E159-Q161 PolarHBondContact O-N 3.5Å |
| 162 | N | 92.9 | Very high | 94.2 | Very high | 104 Ų | 104 | 37 Ų | 37 | 56% | 0.556 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -96.5 | -9.4 | -169.2 | -64.9 | -31.9 | 0 | 0 | 0 | 113.7 | S158 E159 P164 | S158-N162 VanDerWaalsContact O-CB 3.28Å; S158-N162 WeakPolarHBondContact O-CB 3.43Å; S158-N162 VanDerWaalsContact O-CG 3.22Å; S158-N162 PolarHBondContact O-N 3.19Å; S158-N162 PolarHBondContact O-ND2 3.31Å; S158-N162 VanDerWaalsContact O-ND2 3.1Å; S158-N162 PolarHBondContact OG-ND2 2.85Å; E159-N162 PolarHBondContact O-N 2.69Å; N162-P164 VanDerWaalsContact C-CD 3.5Å |
| 163 | D | 94.4 | Very high | 94 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | trans | -133.1 | 62.3 | 178.8 | -174.6 | 23.4 | 0 | 0 | 0 | 111.3 | E159 T165 G166 L167 R168 W171 | E159-D163 WeakPolarHBondContact O-CA 3.46Å; E159-D163 WeakPolarHBondContact O-CB 3.36Å; E159-D163 PolarHBondContact O-N 3.3Å; D163-T165 PolarHBondContact O-N 3.37Å; D163-T165 VanDerWaalsContact O-N 3.11Å; D163-G166 PolarHBondContact O-N 3.09Å; D163-G166 PolarHBondContact OD1-N 3.18Å; D163-G166 WeakPolarHBondContact OD2-CA 3.14Å; D163-L167 VanDerWaalsContact CG-N 3.32Å; D163-L167 WeakPolarHBondContact OD1-CB 3.47Å; D163-L167 PolarHBondContact OD1-N 3.27Å; D163-L167 PolarHBondContact OD2-N 2.99Å; D163-L167 VanDerWaalsContact OD2-N 3.13Å; D163-R168 PolarHBondContact OD2-N 2.93Å; D163-W171 PolarHBondContact OD2-NE1 3.28Å | ||
| 164 | P | 92.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -174.3 | 27.4 | -36.5 | 0 | 0 | 0 | 114.2 | N66 N162 | N66-P164 PolarHBondContact ND2-O 2.97Å; N162-P164 VanDerWaalsContact C-CD 3.5Å |
| 165 | T | 92.4 | Very high | 93.6 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0.2 | 175.8 | 59 | 0 | 0 | 0 | 0 | 113.1 | N73 D163 L167 | N73-T165 PolarHBondContact ND2-O 3.5Å; D163-T165 PolarHBondContact O-N 3.37Å; D163-T165 VanDerWaalsContact O-N 3.11Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.33Å |
| 166 | G | 93.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | 61 | 36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D163 R168 F169 | D163-G166 PolarHBondContact O-N 3.09Å; D163-G166 PolarHBondContact OD1-N 3.18Å; D163-G166 WeakPolarHBondContact OD2-CA 3.14Å; G166-R168 PolarHBondContact O-N 3.18Å; G166-F169 WeakPolarHBondContact O-CB 3.45Å; G166-F169 PolarHBondContact O-N 2.79Å | ||
| 167 | L | 92.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 52 Ų | 52 | 59% | 0.592 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27 | 179.4 | -158.7 | 72.8 | 0 | 0 | 0 | 112.1 | D163 T165 | D163-L167 VanDerWaalsContact CG-N 3.32Å; D163-L167 WeakPolarHBondContact OD1-CB 3.47Å; D163-L167 PolarHBondContact OD1-N 3.27Å; D163-L167 PolarHBondContact OD2-N 2.99Å; D163-L167 VanDerWaalsContact OD2-N 3.13Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.33Å |
| 168 | R | 91.6 | Very high | 93.2 | Very high | 129 Ų | 129 | 57 Ų | 57 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 6.7 | 177.1 | -61.5 | 179.2 | -66 | -177.9 | -1.2 | 112.5 | D163 G166 W171 | D163-R168 PolarHBondContact OD2-N 2.93Å; G166-R168 PolarHBondContact O-N 3.18Å; R168-W171 VanDerWaalsContact C-CD1 3.5Å; R168-W171 WeakPolarHBondContact O-CA 3.47Å; R168-W171 VanDerWaalsContact O-CD1 3.31Å; R168-W171 PolarHBondContact O-N 2.68Å |
| 169 | F | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 135 | 175.9 | -176 | -92.8 | 0 | 0 | 0 | 109.3 | F40 F63 V70 L91 L143 G166 W171 | F40-F169 HydrophobicContact CB-CZ 4.11Å; F40-F169 HydrophobicContact CD1-CE1 4.44Å; F40-F169 HydrophobicContact CD1-CZ 4.21Å; F40-F169 AromaticContact CD2-CE1 3.5Å; F40-F169 HydrophobicContact CD2-CE1 3.5Å; F40-F169 VanDerWaalsContact CD2-CE1 3.5Å; F40-F169 AromaticContact CD2-CZ 3.65Å; F40-F169 HydrophobicContact CD2-CZ 3.65Å; F40-F169 HydrophobicContact CE1-CE1 4.4Å; F40-F169 HydrophobicContact CE2-CD1 4.46Å; F40-F169 AromaticContact CE2-CE1 3.46Å; F40-F169 HydrophobicContact CE2-CE1 3.46Å; F40-F169 VanDerWaalsContact CE2-CE1 3.46Å; F40-F169 HydrophobicContact CE2-CZ 4.07Å; F40-F169 HydrophobicContact CG-CE1 4Å; F40-F169 AromaticContact CG-CZ 3.72Å; F40-F169 HydrophobicContact CG-CZ 3.72Å; F40-F169 AromaticContact CZ-CE1 3.9Å; F40-F169 HydrophobicContact CZ-CE1 3.9Å; F40-F169 HydrophobicContact CZ-CZ 4.47Å; F63-F169 HydrophobicContact CE1-CD2 4.18Å; F63-F169 HydrophobicContact CE1-CE2 4.25Å; F63-F169 AromaticContact CZ-CD2 3.66Å; F63-F169 HydrophobicContact CZ-CD2 3.66Å; F63-F169 HydrophobicContact CZ-CE2 4.19Å; F63-F169 HydrophobicContact CZ-CG 4.31Å; V70-F169 HydrophobicContact CG1-CB 4Å; V70-F169 HydrophobicContact CG1-CD1 3.88Å; V70-F169 HydrophobicContact CG1-CG 3.89Å; L91-F169 HydrophobicContact CD1-CE1 3.92Å; L91-F169 HydrophobicContact CD2-CE1 4.5Å; L91-F169 HydrophobicContact CG-CE1 4.36Å; L143-F169 HydrophobicContact CD1-CE2 4.25Å; L143-F169 HydrophobicContact CD1-CZ 4.4Å; L143-F169 HydrophobicContact CD2-CD2 4.28Å; L143-F169 HydrophobicContact CD2-CE2 3.63Å; L143-F169 HydrophobicContact CD2-CZ 4.11Å; G166-F169 WeakPolarHBondContact O-CB 3.45Å; G166-F169 PolarHBondContact O-N 2.79Å; F169-W171 HydrophobicContact CD2-CD2 4.19Å; F169-W171 AromaticContact CD2-CE3 3.93Å; F169-W171 HydrophobicContact CD2-CE3 3.93Å; F169-W171 AromaticContact CD2-CH2 3.79Å; F169-W171 HydrophobicContact CD2-CH2 3.79Å; F169-W171 HydrophobicContact CD2-CZ2 4.03Å; F169-W171 AromaticContact CD2-CZ3 3.72Å; F169-W171 HydrophobicContact CD2-CZ3 3.72Å; F169-W171 HydrophobicContact CE2-CE3 4.37Å; F169-W171 HydrophobicContact CE2-CH2 4.37Å; F169-W171 HydrophobicContact CE2-CZ3 4.02Å |
| 170 | P | 95 | Very high | 93.4 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -95.8 | 28.1 | 14.8 | 38.3 | -36 | 0 | 0 | 0 | 115.1 | F40 L143 C152 C172 | F40-P170 HydrophobicContact CD1-CB 3.97Å; F40-P170 HydrophobicContact CE1-CB 3.31Å; F40-P170 HydrophobicContact CE1-CG 3.66Å; F40-P170 HydrophobicContact CZ-CB 3.66Å; F40-P170 HydrophobicContact CZ-CG 3.81Å; L143-P170 HydrophobicContact CD2-CB 3.77Å; L143-P170 VanDerWaalsContact CD2-O 3.25Å; L143-P170 WeakPolarHBondContact CD2-O 3.42Å; C152-P170 HydrophobicContact CB-CB 4.4Å; C152-P170 WeakPolarHBondContact CB-O 3.39Å; P170-C172 PolarHBondContact O-N 3.49Å; P170-C172 VanDerWaalsContact O-N 3.13Å |
| 171 | W | 94.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.076 | 30% | 0.304 | C | S | . | . | trans | 55.9 | 33.5 | 173 | -47.9 | -57.2 | 0 | 0 | 0 | 115.1 | F63 L143 C156 E159 V160 D163 R168 F169 P173 | F63-W171 HydrophobicContact CD1-CH2 4.29Å; F63-W171 HydrophobicContact CD2-CH2 4.18Å; F63-W171 HydrophobicContact CD2-CZ2 4.26Å; F63-W171 AromaticContact CE1-CH2 3.67Å; F63-W171 HydrophobicContact CE1-CH2 3.67Å; F63-W171 HydrophobicContact CE1-CZ2 4.39Å; F63-W171 HydrophobicContact CE1-CZ3 4.46Å; F63-W171 AromaticContact CE2-CH2 3.54Å; F63-W171 HydrophobicContact CE2-CH2 3.54Å; F63-W171 AromaticContact CE2-CZ2 3.45Å; F63-W171 HydrophobicContact CE2-CZ2 3.45Å; F63-W171 VanDerWaalsContact CE2-CZ2 3.45Å; F63-W171 AromaticContact CZ-CH2 3.27Å; F63-W171 HydrophobicContact CZ-CH2 3.27Å; F63-W171 AromaticContact CZ-CZ2 3.55Å; F63-W171 HydrophobicContact CZ-CZ2 3.55Å; F63-W171 HydrophobicContact CZ-CZ3 4.29Å; L143-W171 HydrophobicContact CD2-CE3 3.91Å; L143-W171 HydrophobicContact CD2-CZ3 4.29Å; C156-W171 HydrophobicContact CB-CE3 3.8Å; C156-W171 HydrophobicContact CB-CZ3 4.23Å; E159-W171 HydrophobicContact CB-CB 4.29Å; E159-W171 HydrophobicContact CB-CD2 3.55Å; E159-W171 HydrophobicContact CB-CE3 4.1Å; E159-W171 HydrophobicContact CB-CG 3.63Å; E159-W171 HydrophobicContact CB-CZ2 4.25Å; E159-W171 HydrophobicContact CG-CB 3.96Å; E159-W171 HydrophobicContact CG-CD2 4.21Å; E159-W171 HydrophobicContact CG-CG 3.74Å; V160-W171 HydrophobicContact CG2-CH2 3.66Å; V160-W171 HydrophobicContact CG2-CZ3 3.91Å; D163-W171 PolarHBondContact OD2-NE1 3.28Å; R168-W171 VanDerWaalsContact C-CD1 3.5Å; R168-W171 WeakPolarHBondContact O-CA 3.47Å; R168-W171 VanDerWaalsContact O-CD1 3.31Å; R168-W171 PolarHBondContact O-N 2.68Å; F169-W171 HydrophobicContact CD2-CD2 4.19Å; F169-W171 AromaticContact CD2-CE3 3.93Å; F169-W171 HydrophobicContact CD2-CE3 3.93Å; F169-W171 AromaticContact CD2-CH2 3.79Å; F169-W171 HydrophobicContact CD2-CH2 3.79Å; F169-W171 HydrophobicContact CD2-CZ2 4.03Å; F169-W171 AromaticContact CD2-CZ3 3.72Å; F169-W171 HydrophobicContact CD2-CZ3 3.72Å; F169-W171 HydrophobicContact CE2-CE3 4.37Å; F169-W171 HydrophobicContact CE2-CH2 4.37Å; F169-W171 HydrophobicContact CE2-CZ3 4.02Å; W171-P173 VanDerWaalsContact O-CD 3.28Å; W171-P173 WeakPolarHBondContact O-CD 3.11Å | ||
| 172 | C | 93.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 122.2 | 168.8 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | C152 P170 K174 | C152-C172 VanDerWaalsContact SG-SG 3.64Å; P170-C172 PolarHBondContact O-N 3.49Å; P170-C172 VanDerWaalsContact O-N 3.13Å; C172-K174 PolarHBondContact O-N 3.35Å |
| 173 | P | 91.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.2 | 171.6 | -23.7 | 32.5 | 0 | 0 | 0 | 110.1 | M1 C152 W171 K273 | M1-P173 HydrophobicContact CG-CG 3.91Å; M1-P173 HydrophobicContact SD-CG 4.4Å; C152-P173 WeakPolarHBondContact O-CD 3.38Å; W171-P173 VanDerWaalsContact O-CD 3.28Å; W171-P173 WeakPolarHBondContact O-CD 3.11Å; P173-K273 HydrophobicContact CB-CB 4.28Å; P173-K273 HydrophobicContact CG-CB 4.3Å |
| 174 | K | 90.9 | Very high | 93.6 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 158.6 | 166.2 | -67.5 | -172.2 | 179.4 | -179 | 0 | 109.8 | C172 E178 M270 | C172-K174 PolarHBondContact O-N 3.35Å; K174-E178 HydrophobicContact CB-CB 4.36Å; K174-M270 HydrophobicContact CD-SD 4.08Å |
| 175 | S | 91.5 | Very high | 93.7 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 38% | 0.378 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -58 | 150.6 | 171.5 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | L177 E178 S179 | S175-L177 PolarHBondContact O-N 2.74Å; S175-E178 PolarHBondContact O-N 3.43Å; S175-E178 WeakPolarHBondContact OG-CB 3.39Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 3.33Å; S175-E178 PolarHBondContact OG-OE1 2.91Å; S175-S179 PolarHBondContact O-N 3.38Å; S175-S179 VanDerWaalsContact O-N 3.1Å; S175-S179 PolarHBondContact O-OG 2.91Å |
| 176 | L | 92.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 178.4 | 179.7 | 59.5 | 0 | 0 | 0 | 110.9 | E178 S179 C180 I271 A274 L275 L286 F290 | L176-E178 PolarHBondContact O-N 2.9Å; L176-S179 CarbonylContact O-C 3.54Å; L176-S179 WeakPolarHBondContact O-CB 3.27Å; L176-S179 PolarHBondContact O-N 3.47Å; L176-S179 VanDerWaalsContact O-N 3.1Å; L176-C180 WeakPolarHBondContact O-CB 3.48Å; L176-C180 PolarHBondContact O-N 2.67Å; L176-C180 PolarHBondContact O-SG 2.74Å; L176-C180 VanDerWaalsContact O-SG 3.42Å; L176-I271 HydrophobicContact CD1-CB 4.49Å; L176-I271 HydrophobicContact CD1-CG1 4.47Å; L176-I271 HydrophobicContact CD1-CG2 3.81Å; L176-A274 HydrophobicContact CB-CB 4.23Å; L176-A274 HydrophobicContact CD1-CB 4.23Å; L176-L275 HydrophobicContact CD1-CD1 4.37Å; L176-L275 HydrophobicContact CD1-CD2 4.33Å; L176-L275 HydrophobicContact CD1-CG 4.04Å; L176-L275 HydrophobicContact CD2-CD2 3.74Å; L176-L275 HydrophobicContact CD2-CG 4.36Å; L176-L286 HydrophobicContact CD2-CD2 3.74Å; L176-F290 HydrophobicContact CD2-CB 4.18Å; L176-F290 WeakPolarHBondContact CD2-O 3.11Å; L176-F290 HydrophobicContact CG-CB 4.38Å |
| 177 | L | 93 | Very high | 93.6 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 178.4 | -173.2 | 62.7 | 0 | 0 | 0 | 112.5 | S175 S179 C180 F290 | S175-L177 PolarHBondContact O-N 2.74Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 2.8Å; L177-C180 PolarHBondContact O-N 3.01Å; L177-F290 HydrophobicContact CD1-CD2 4.05Å; L177-F290 HydrophobicContact CD1-CE2 4.42Å |
| 178 | E | 92.8 | Very high | 93.4 | Very high | 112 Ų | 112 | 53.7 Ų | 53.7 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 173.6 | -77.8 | 163.7 | -129 | 0 | 0 | 112.5 | K174 S175 L176 T181 | K174-E178 HydrophobicContact CB-CB 4.36Å; S175-E178 PolarHBondContact O-N 3.43Å; S175-E178 WeakPolarHBondContact OG-CB 3.39Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 3.33Å; S175-E178 PolarHBondContact OG-OE1 2.91Å; L176-E178 PolarHBondContact O-N 2.9Å; E178-T181 WeakPolarHBondContact O-CG2 3.38Å; E178-T181 PolarHBondContact O-OG1 2.92Å |
| 179 | S | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.2 | -30.1 | -179.6 | -51.7 | 0 | 0 | 0 | 0 | 112.1 | S175 L176 L177 T181 R267 | S175-S179 PolarHBondContact O-N 3.38Å; S175-S179 VanDerWaalsContact O-N 3.1Å; S175-S179 PolarHBondContact O-OG 2.91Å; L176-S179 CarbonylContact O-C 3.54Å; L176-S179 WeakPolarHBondContact O-CB 3.27Å; L176-S179 PolarHBondContact O-N 3.47Å; L176-S179 VanDerWaalsContact O-N 3.1Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 2.8Å; S179-T181 VanDerWaalsContact C-N 3.26Å; S179-T181 PolarHBondContact O-N 2.98Å; S179-T181 VanDerWaalsContact O-N 3.16Å; S179-R267 WeakPolarHBondContact O-CG 3.44Å |
| 180 | C | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -86.5 | 53.4 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | L176 L177 F194 F290 | L176-C180 WeakPolarHBondContact O-CB 3.48Å; L176-C180 PolarHBondContact O-N 2.67Å; L176-C180 PolarHBondContact O-SG 2.74Å; L176-C180 VanDerWaalsContact O-SG 3.42Å; L177-C180 PolarHBondContact O-N 3.01Å; C180-F194 HydrophobicContact CB-CD1 3.87Å; C180-F194 HydrophobicContact CB-CE1 3.92Å; C180-F194 HydrophobicContact CB-CG 4.28Å; C180-F194 HydrophobicContact CB-CZ 4.37Å; C180-F194 WeakPolarHBondContact O-CB 3.45Å; C180-F194 VanDerWaalsContact O-CG 3.31Å; C180-F194 WeakPolarHBondContact O-CG 3.22Å; C180-F290 HydrophobicContact CB-CD1 4.4Å; C180-F290 HydrophobicContact CB-CD2 4.16Å; C180-F290 HydrophobicContact CB-CE1 4.29Å; C180-F290 HydrophobicContact CB-CE2 4.04Å; C180-F290 HydrophobicContact CB-CG 4.34Å; C180-F290 HydrophobicContact CB-CZ 4.12Å |
| 181 | T | 94.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | trans | -122.4 | 162.7 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 111 | E178 S179 F194 R267 | E178-T181 WeakPolarHBondContact O-CG2 3.38Å; E178-T181 PolarHBondContact O-OG1 2.92Å; S179-T181 VanDerWaalsContact C-N 3.26Å; S179-T181 PolarHBondContact O-N 2.98Å; S179-T181 VanDerWaalsContact O-N 3.16Å; T181-F194 WeakPolarHBondContact O-CD2 2.88Å; T181-R267 WeakPolarHBondContact O-CD 3.32Å; T181-R267 PolarHBondContact O-NH1 2.93Å | ||
| 182 | G | 94.2 | Very high | 92 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 80 | -171 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D193 F194 R267 | G182-D193 WeakPolarHBondContact O-CA 3.2Å; G182-F194 WeakPolarHBondContact O-CD2 3.33Å; G182-F194 PolarHBondContact O-N 3.47Å; G182-R267 PolarHBondContact O-NH1 3.14Å |
| 183 | S | 96 | Very high | 92 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 148 | -166.1 | -56.2 | 0 | 0 | 0 | 0 | 115 | V191 D193 R267 | S183-V191 VanDerWaalsContact CB-CG1 3.42Å; S183-D193 WeakPolarHBondContact CA-OD1 3.32Å; S183-D193 WeakPolarHBondContact CB-OD1 3.42Å; S183-D193 PolarHBondContact N-OD1 3.33Å; S183-D193 PolarHBondContact OG-OD1 2.92Å; S183-R267 PolarHBondContact O-NH1 2.93Å; S183-R267 PolarHBondContact O-NH2 3.05Å |
| 184 | L | 97.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.6 | 175.7 | -63.1 | 170.7 | 0 | 0 | 0 | 110.2 | T192 F194 L197 I238 L259 I261 | L184-T192 VanDerWaalsContact CB-O 3.31Å; L184-T192 WeakPolarHBondContact CB-O 3.45Å; L184-T192 PolarHBondContact N-O 3.35Å; L184-T192 PolarHBondContact O-N 3.42Å; L184-F194 HydrophobicContact CD1-CD1 4.16Å; L184-F194 HydrophobicContact CD1-CD2 4.22Å; L184-F194 HydrophobicContact CD1-CE1 4.21Å; L184-F194 HydrophobicContact CD1-CE2 4.26Å; L184-F194 HydrophobicContact CD1-CG 4.17Å; L184-F194 HydrophobicContact CD1-CZ 4.27Å; L184-F194 HydrophobicContact CD2-CD2 4.13Å; L184-F194 HydrophobicContact CD2-CE1 4.48Å; L184-F194 HydrophobicContact CD2-CE2 3.54Å; L184-F194 HydrophobicContact CD2-CZ 3.75Å; L184-F194 HydrophobicContact CG-CD2 4.1Å; L184-F194 HydrophobicContact CG-CE2 4.03Å; L184-F194 HydrophobicContact CG-CZ 4.39Å; L184-L197 HydrophobicContact CD1-CD1 3.9Å; L184-L197 HydrophobicContact CD1-CD2 4.11Å; L184-L197 HydrophobicContact CD1-CG 4.36Å; L184-I238 HydrophobicContact CD1-CD1 4.11Å; L184-I238 HydrophobicContact CD2-CG2 4.06Å; L184-L259 HydrophobicContact CD1-CD1 4.08Å; L184-I261 HydrophobicContact CD2-CG1 3.69Å |
| 185 | L | 95.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127 | 169.1 | -56.7 | -179.5 | 0 | 0 | 0 | 109.1 | F249 Y253 L259 A260 P262 | L185-F249 HydrophobicContact CD1-CE1 4Å; L185-F249 HydrophobicContact CD1-CZ 3.93Å; L185-Y253 HydrophobicContact CB-CE1 4.35Å; L185-Y253 HydrophobicContact CB-CE2 4.48Å; L185-Y253 WeakPolarHBondContact CB-OH 3.33Å; L185-Y253 HydrophobicContact CD1-CE1 4.36Å; L185-Y253 PolarHBondContact O-OH 3.33Å; L185-L259 VanDerWaalsContact O-CA 3.28Å; L185-L259 WeakPolarHBondContact O-CA 3.24Å; L185-A260 HydrophobicContact CB-CB 4.42Å; L185-A260 PolarHBondContact N-O 2.98Å; L185-A260 PolarHBondContact O-N 3.09Å; L185-P262 HydrophobicContact CD1-CB 4.5Å; L185-P262 HydrophobicContact CD2-CG 4.13Å; L185-P262 HydrophobicContact CG-CB 4.46Å; L185-P262 HydrophobicContact CG-CG 4.03Å |
| 186 | S | 93.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | trans | -102.8 | 165 | 168.9 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | D188 S190 Y253 | S186-D188 WeakPolarHBondContact CB-OD1 3.39Å; S186-D188 PolarHBondContact OG-OD1 3.17Å; S186-S190 VanDerWaalsContact CB-O 3.22Å; S186-S190 WeakPolarHBondContact CB-O 3.33Å; S186-S190 WeakPolarHBondContact CB-OG 3.45Å; S186-S190 PolarHBondContact N-O 3.17Å; S186-Y253 VanDerWaalsContact C-OH 3.24Å; S186-Y253 PolarHBondContact O-OH 3.32Å | ||
| 187 | K | 90.4 | Very high | 92.1 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -25.2 | 178.9 | -67.9 | -70 | 146.4 | -178.1 | 0 | 114 | G189 Y253 M256 W258 | K187-G189 PolarHBondContact O-N 2.77Å; K187-Y253 WeakPolarHBondContact CE-OH 3.2Å; K187-Y253 PolarHBondContact NZ-O 3.32Å; K187-M256 WeakPolarHBondContact CD-O 3.38Å; K187-M256 WeakPolarHBondContact CE-O 3.23Å; K187-M256 PolarHBondContact NZ-O 3.35Å; K187-W258 WeakPolarHBondContact CE-O 3.33Å |
| 188 | D | 88 | Confident | 91.9 | Very high | 121 Ų | 121 | 56.8 Ų | 56.8 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.5 | 174.8 | 64.2 | -8.4 | 0 | 0 | 0 | 113 | S186 S190 | S186-D188 WeakPolarHBondContact CB-OD1 3.39Å; S186-D188 PolarHBondContact OG-OD1 3.17Å; D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.47Å; D188-S190 VanDerWaalsContact OD1-CB 3.24Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 2.88Å; D188-S190 PolarHBondContact OD1-OG 3.21Å; D188-S190 PolarHBondContact OD2-OG 3.04Å |
| 189 | G | 83.2 | Confident | 91.9 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 77.5 | -0 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K187 | K187-G189 PolarHBondContact O-N 2.77Š|
| 190 | S | 85.8 | Confident | 91.9 | Very high | 45 Ų | 45 | 59 Ų | 59 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | trans | -71.6 | 155 | 171.5 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | S186 D188 | S186-S190 VanDerWaalsContact CB-O 3.22Å; S186-S190 WeakPolarHBondContact CB-O 3.33Å; S186-S190 WeakPolarHBondContact CB-OG 3.45Å; S186-S190 PolarHBondContact N-O 3.17Å; D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.47Å; D188-S190 VanDerWaalsContact OD1-CB 3.24Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 2.88Å; D188-S190 PolarHBondContact OD1-OG 3.21Å; D188-S190 PolarHBondContact OD2-OG 3.04Å | ||
| 191 | V | 83.9 | Confident | 91.9 | Very high | 100 Ų | 100 | 60 Ų | 60 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | S183 | S183-V191 VanDerWaalsContact CB-CG1 3.42Å |
| 192 | T | 91.8 | Very high | 92 | Very high | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.7 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 109.2 | L184 N196 L197 | L184-T192 VanDerWaalsContact CB-O 3.31Å; L184-T192 WeakPolarHBondContact CB-O 3.45Å; L184-T192 PolarHBondContact N-O 3.35Å; L184-T192 PolarHBondContact O-N 3.42Å; T192-N196 HydrophobicContact CG2-CB 4.19Å; T192-L197 HydrophobicContact CG2-CD2 3.88Å |
| 193 | D | 93.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 151.4 | 174.2 | -66.2 | -26.5 | 0 | 0 | 0 | 111.1 | G182 S183 A195 N196 L197 | G182-D193 WeakPolarHBondContact O-CA 3.2Å; S183-D193 WeakPolarHBondContact CA-OD1 3.32Å; S183-D193 WeakPolarHBondContact CB-OD1 3.42Å; S183-D193 PolarHBondContact N-OD1 3.33Å; S183-D193 PolarHBondContact OG-OD1 2.92Å; D193-A195 PolarHBondContact O-N 3.22Å; D193-A195 VanDerWaalsContact O-N 3.1Å; D193-N196 PolarHBondContact O-N 2.85Å; D193-L197 PolarHBondContact O-N 3.1Å |
| 194 | F | 93.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -48.4 | -39 | 173.5 | -86.9 | -83.2 | 0 | 0 | 0 | 112.8 | C180 T181 G182 L184 N196 L197 F204 I238 I261 I271 F290 | C180-F194 HydrophobicContact CB-CD1 3.87Å; C180-F194 HydrophobicContact CB-CE1 3.92Å; C180-F194 HydrophobicContact CB-CG 4.28Å; C180-F194 HydrophobicContact CB-CZ 4.37Å; C180-F194 WeakPolarHBondContact O-CB 3.45Å; C180-F194 VanDerWaalsContact O-CG 3.31Å; C180-F194 WeakPolarHBondContact O-CG 3.22Å; T181-F194 WeakPolarHBondContact O-CD2 2.88Å; G182-F194 WeakPolarHBondContact O-CD2 3.33Å; G182-F194 PolarHBondContact O-N 3.47Å; L184-F194 HydrophobicContact CD1-CD1 4.16Å; L184-F194 HydrophobicContact CD1-CD2 4.22Å; L184-F194 HydrophobicContact CD1-CE1 4.21Å; L184-F194 HydrophobicContact CD1-CE2 4.26Å; L184-F194 HydrophobicContact CD1-CG 4.17Å; L184-F194 HydrophobicContact CD1-CZ 4.27Å; L184-F194 HydrophobicContact CD2-CD2 4.13Å; L184-F194 HydrophobicContact CD2-CE1 4.48Å; L184-F194 HydrophobicContact CD2-CE2 3.54Å; L184-F194 HydrophobicContact CD2-CZ 3.75Å; L184-F194 HydrophobicContact CG-CD2 4.1Å; L184-F194 HydrophobicContact CG-CE2 4.03Å; L184-F194 HydrophobicContact CG-CZ 4.39Å; F194-N196 PolarHBondContact O-N 3.05Å; F194-L197 HydrophobicContact CD1-CD1 4.03Å; F194-L197 WeakPolarHBondContact O-CG 3.33Å; F194-L197 PolarHBondContact O-N 3.11Å; F194-F204 HydrophobicContact CE1-CE1 4.13Å; F194-F204 HydrophobicContact CE1-CZ 4.11Å; F194-F204 HydrophobicContact CZ-CE1 4.5Å; F194-I238 HydrophobicContact CD1-CD1 4.13Å; F194-I238 HydrophobicContact CE1-CD1 3.5Å; F194-I238 HydrophobicContact CZ-CD1 4.27Å; F194-I238 HydrophobicContact CZ-CG2 4.3Å; F194-I261 HydrophobicContact CE2-CG1 4.45Å; F194-I261 HydrophobicContact CZ-CD1 4.21Å; F194-I261 HydrophobicContact CZ-CG1 4.31Å; F194-I271 HydrophobicContact CZ-CD1 4.13Å; F194-F290 AromaticContact CD1-CE1 3.96Å; F194-F290 HydrophobicContact CD1-CE1 3.96Å; F194-F290 AromaticContact CD1-CZ 3.76Å; F194-F290 HydrophobicContact CD1-CZ 3.76Å; F194-F290 HydrophobicContact CE1-CE1 4.3Å |
| 195 | A | 91.8 | Very high | 92.3 | Very high | 93 Ų | 93 | 53 Ų | 53 | 77% | 0.769 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -67 | -21.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D193 | D193-A195 PolarHBondContact O-N 3.22Å; D193-A195 VanDerWaalsContact O-N 3.1Å |
| 196 | N | 92.1 | Very high | 92.5 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -103.2 | 4.2 | -176.6 | -64 | -30.6 | 0 | 0 | 0 | 112.6 | T192 D193 F194 | T192-N196 HydrophobicContact CG2-CB 4.19Å; D193-N196 PolarHBondContact O-N 2.85Å; F194-N196 PolarHBondContact O-N 3.05Å |
| 197 | L | 91.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.1 | 138.2 | 177.5 | -68.1 | 175.9 | 0 | 0 | 0 | 110.5 | L184 T192 D193 F194 R202 I238 L259 | L184-L197 HydrophobicContact CD1-CD1 3.9Å; L184-L197 HydrophobicContact CD1-CD2 4.11Å; L184-L197 HydrophobicContact CD1-CG 4.36Å; T192-L197 HydrophobicContact CG2-CD2 3.88Å; D193-L197 PolarHBondContact O-N 3.1Å; F194-L197 HydrophobicContact CD1-CD1 4.03Å; F194-L197 WeakPolarHBondContact O-CG 3.33Å; F194-L197 PolarHBondContact O-N 3.11Å; L197-R202 VanDerWaalsContact CB-NH2 3.26Å; L197-I238 HydrophobicContact CD1-CD1 3.94Å; L197-L259 HydrophobicContact CD2-CD1 3.46Å; L197-L259 VanDerWaalsContact CD2-CD1 3.46Å |
| 198 | P | 90.2 | Very high | 93 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 60% | 0.597 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 148 | 172.9 | -24.4 | 33.5 | 0 | 0 | 0 | 111.8 | G200 R202 | P198-G200 PolarHBondContact O-N 3.49Å; P198-R202 PolarHBondContact O-NH2 3.09Å |
| 199 | K | 92.2 | Very high | 93.5 | Very high | 149 Ų | 149 | 42 Ų | 42 | 65% | 0.648 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -59.1 | 130.3 | 172.7 | -78 | -172.9 | 166.8 | -117.1 | 0 | 110.8 | T234 E288 | K199-T234 VanDerWaalsContact O-CB 3.3Å; K199-T234 WeakPolarHBondContact O-CB 3.16Å; K199-T234 PolarHBondContact O-OG1 2.83Å; K199-E288 VanDerWaalsContact CB-OE2 3.28Å; K199-E288 WeakPolarHBondContact CB-OE2 3.4Å; K199-E288 WeakPolarHBondContact CG-OE2 3.33Å; K199-E288 IonicContact NZ-OE1 2.88Å; K199-E288 PolarHBondContact NZ-OE1 3.25Å; K199-E288 IonicContact NZ-OE2 3.65Å |
| 200 | G | 93.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 159.5 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P198 T234 E288 | P198-G200 PolarHBondContact O-N 3.49Å; G200-T234 WeakPolarHBondContact CA-O 3.29Å; G200-T234 VanDerWaalsContact CA-OG1 3.25Å; G200-T234 WeakPolarHBondContact CA-OG1 3.41Å; G200-E288 WeakPolarHBondContact O-CA 3.41Å; G200-E288 PolarHBondContact O-N 3.34Å |
| 201 | V | 95.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 143.1 | 179.5 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | T234 F235 D236 I285 L286 L293 F310 P311 | V201-T234 PolarHBondContact N-O 3.43Å; V201-F235 WeakPolarHBondContact O-CA 2.83Å; V201-D236 PolarHBondContact O-N 2.91Å; V201-I285 HydrophobicContact CG1-CG2 3.39Å; V201-L286 CarbonylContact C-O 3.44Å; V201-L286 WeakPolarHBondContact CA-O 3.33Å; V201-L286 WeakPolarHBondContact CG1-O 3.46Å; V201-L293 HydrophobicContact CG1-CD1 4.2Å; V201-L293 HydrophobicContact CG2-CD1 4.27Å; V201-F310 HydrophobicContact CB-CE1 3.83Å; V201-F310 HydrophobicContact CB-CZ 3.7Å; V201-F310 HydrophobicContact CG1-CE1 3.91Å; V201-F310 HydrophobicContact CG1-CE2 4.19Å; V201-F310 HydrophobicContact CG1-CZ 3.36Å; V201-F310 HydrophobicContact CG2-CE1 4.33Å; V201-P311 HydrophobicContact CB-CB 4.38Å; V201-P311 HydrophobicContact CG1-CB 3.94Å; V201-P311 HydrophobicContact CG2-CB 3.85Å; V201-P311 HydrophobicContact CG2-CG 4.5Å |
| 202 | R | 96.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | -175.4 | -63.1 | -178.5 | -176.2 | 98.6 | -1.6 | 112 | L197 P198 F204 D236 I285 L286 E288 | L197-R202 VanDerWaalsContact CB-NH2 3.26Å; P198-R202 PolarHBondContact O-NH2 3.09Å; R202-F204 HydrophobicContact CB-CD2 4.48Å; R202-F204 HydrophobicContact CB-CE2 4.07Å; R202-D236 CarbonylContact C-O 3.48Å; R202-D236 VanDerWaalsContact CA-O 3.27Å; R202-D236 WeakPolarHBondContact CA-O 3.24Å; R202-I285 WeakPolarHBondContact O-CA 3.29Å; R202-L286 PolarHBondContact N-O 3.22Å; R202-L286 PolarHBondContact O-N 3.16Å; R202-E288 PolarHBondContact NH1-O 2.85Å |
| 203 | G | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D236 V237 I238 L284 | G203-D236 PolarHBondContact N-O 2.9Å; G203-V237 CarbonylContact O-C 3.51Å; G203-V237 WeakPolarHBondContact O-CA 3.38Å; G203-V237 WeakPolarHBondContact O-CG1 3.41Å; G203-I238 PolarHBondContact O-N 3.38Å; G203-L284 CarbonylContact C-O 3.54Å; G203-L284 WeakPolarHBondContact CA-O 3.23Å |
| 204 | F | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 108.7 | 171 | -76.4 | -105.2 | 0 | 0 | 0 | 109 | F194 R202 F206 I238 I271 L275 L283 L284 L286 F290 | F194-F204 HydrophobicContact CE1-CE1 4.13Å; F194-F204 HydrophobicContact CE1-CZ 4.11Å; F194-F204 HydrophobicContact CZ-CE1 4.5Å; R202-F204 HydrophobicContact CB-CD2 4.48Å; R202-F204 HydrophobicContact CB-CE2 4.07Å; F204-F206 HydrophobicContact CB-CE2 3.77Å; F204-F206 HydrophobicContact CB-CZ 4.23Å; F204-I238 HydrophobicContact CD1-CB 4.44Å; F204-I238 HydrophobicContact CE1-CB 4.45Å; F204-I238 HydrophobicContact CE1-CD1 4.24Å; F204-I238 HydrophobicContact CE1-CG2 4.48Å; F204-I238 HydrophobicContact CE2-CD1 4.37Å; F204-I238 HydrophobicContact CZ-CD1 3.94Å; F204-I271 HydrophobicContact CD1-CG2 3.76Å; F204-I271 HydrophobicContact CE1-CD1 4.21Å; F204-I271 HydrophobicContact CE1-CG2 3.96Å; F204-L275 HydrophobicContact CB-CD1 4.33Å; F204-L275 HydrophobicContact CG-CD1 4.46Å; F204-L283 WeakPolarHBondContact O-CA 3.47Å; F204-L284 PolarHBondContact N-O 2.88Å; F204-L284 PolarHBondContact O-N 2.95Å; F204-L286 HydrophobicContact CD2-CB 4.42Å; F204-L286 HydrophobicContact CD2-CD1 3.85Å; F204-L286 HydrophobicContact CD2-CD2 3.81Å; F204-L286 HydrophobicContact CD2-CG 4.25Å; F204-L286 HydrophobicContact CE2-CB 4.33Å; F204-L286 HydrophobicContact CE2-CD1 4.48Å; F204-L286 HydrophobicContact CE2-CD2 3.68Å; F204-L286 HydrophobicContact CE2-CG 4.39Å; F204-L286 HydrophobicContact CZ-CD2 4.39Å; F204-F290 AromaticContact CE2-CD1 3.96Å; F204-F290 HydrophobicContact CE2-CD1 3.96Å; F204-F290 HydrophobicContact CE2-CE1 4.35Å; F204-F290 AromaticContact CZ-CD1 3.74Å; F204-F290 HydrophobicContact CZ-CD1 3.74Å; F204-F290 AromaticContact CZ-CE1 3.94Å; F204-F290 HydrophobicContact CZ-CE1 3.94Å |
| 205 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.2 | -177.6 | 173.7 | 67.9 | 0 | 0 | 0 | 110.1 | A207 F217 V218 L221 V237 I238 F239 C240 M256 W258 L283 | L205-A207 HydrophobicContact CD1-CB 4.15Å; L205-A207 HydrophobicContact CG-CB 4.1Å; L205-F217 HydrophobicContact CD1-CD1 4.1Å; L205-F217 HydrophobicContact CD1-CE1 3.76Å; L205-V218 HydrophobicContact CD2-CG2 3.88Å; L205-L221 HydrophobicContact CD1-CD2 4.09Å; L205-L221 HydrophobicContact CD2-CD2 4.17Å; L205-V237 HydrophobicContact CB-CG1 3.75Å; L205-V237 HydrophobicContact CD2-CG1 4.42Å; L205-I238 PolarHBondContact N-O 3.42Å; L205-F239 HydrophobicContact CD2-CD2 4.13Å; L205-F239 HydrophobicContact CG-CD2 4.24Å; L205-C240 PolarHBondContact O-N 3.44Å; L205-M256 HydrophobicContact CD2-CE 4.35Å; L205-M256 HydrophobicContact CD2-SD 4.39Å; L205-W258 HydrophobicContact CD2-CH2 4.47Å; L205-W258 HydrophobicContact CD2-CZ2 3.5Å; L205-W258 VanDerWaalsContact CD2-CZ2 3.5Å; L205-L283 HydrophobicContact CB-CD1 4.21Å |
| 206 | F | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.9 | 171.6 | -58.9 | -89.8 | 0 | 0 | 0 | 109 | F204 C240 H242 I271 S272 L275 V277 I280 P281 S282 L284 | F204-F206 HydrophobicContact CB-CE2 3.77Å; F204-F206 HydrophobicContact CB-CZ 4.23Å; F206-C240 WeakPolarHBondContact CA-O 3.21Å; F206-C240 HydrophobicContact CD1-CB 3.48Å; F206-C240 VanDerWaalsContact CD1-CB 3.48Å; F206-C240 HydrophobicContact CE1-CB 3.41Å; F206-C240 VanDerWaalsContact CE1-CB 3.41Å; F206-C240 HydrophobicContact CG-CB 4.23Å; F206-C240 HydrophobicContact CZ-CB 4.11Å; F206-H242 AromaticContact CD1-NE2 3.58Å; F206-I271 HydrophobicContact CE1-CG2 4.4Å; F206-I271 HydrophobicContact CZ-CG2 3.86Å; F206-S272 VanDerWaalsContact CE1-CA 3.41Å; F206-L275 HydrophobicContact CE2-CD1 4.03Å; F206-L275 HydrophobicContact CZ-CD1 3.95Å; F206-V277 HydrophobicContact CB-CG1 4.07Å; F206-V277 HydrophobicContact CD1-CG1 4.49Å; F206-V277 HydrophobicContact CD1-CG2 4.31Å; F206-V277 HydrophobicContact CD2-CG1 4.25Å; F206-V277 HydrophobicContact CD2-CG2 3.68Å; F206-V277 HydrophobicContact CE1-CG2 4.27Å; F206-V277 HydrophobicContact CE2-CG2 3.64Å; F206-V277 HydrophobicContact CG-CB 4.48Å; F206-V277 HydrophobicContact CG-CG1 4Å; F206-V277 HydrophobicContact CG-CG2 4.03Å; F206-V277 HydrophobicContact CZ-CG2 3.94Å; F206-I280 HydrophobicContact CB-CG2 3.98Å; F206-P281 WeakPolarHBondContact O-CA 3.37Å; F206-S282 PolarHBondContact N-O 3.28Å; F206-S282 PolarHBondContact O-N 3.46Å; F206-L284 HydrophobicContact CD2-CD1 3.86Å; F206-L284 HydrophobicContact CE2-CD1 3.8Å |
| 207 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L205 C214 F239 C240 H242 F252 | L205-A207 HydrophobicContact CD1-CB 4.15Å; L205-A207 HydrophobicContact CG-CB 4.1Å; A207-C214 HydrophobicContact CB-CB 3.94Å; A207-F239 HydrophobicContact CB-CE2 3.97Å; A207-F239 WeakPolarHBondContact O-CE2 3.36Å; A207-C240 PolarHBondContact N-O 3.3Å; A207-H242 PolarHBondContact O-N 3.27Å; A207-F252 HydrophobicContact CB-CE1 3.84Å; A207-F252 HydrophobicContact CB-CZ 4.38Å |
| 208 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -148.6 | 150.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | W210 C211 C214 H242 I280 | A208-W210 VanDerWaalsContact C-N 3.3Å; A208-W210 HydrophobicContact CB-CD2 4.08Å; A208-W210 VanDerWaalsContact CB-CE2 3.46Å; A208-W210 HydrophobicContact CB-CG 4.18Å; A208-W210 HydrophobicContact CB-CZ2 3.88Å; A208-W210 PolarHBondContact O-N 2.68Å; A208-C211 WeakPolarHBondContact O-CB 3.22Å; A208-C211 PolarHBondContact O-N 2.97Å; A208-C211 VanDerWaalsContact O-N 3.16Å; A208-C214 WeakPolarHBondContact O-CB 3.32Å; A208-H242 HydrophobicContact CB-CB 3.99Å; A208-I280 HydrophobicContact CB-CD1 3.89Å | ||
| 209 | Q | 97.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -38.5 | -177.9 | -175 | 51.6 | -31.3 | 0 | 0 | 112.7 | C211 R215 D243 G248 F252 | Q209-C211 PolarHBondContact O-N 3.37Å; Q209-R215 WeakPolarHBondContact O-CD 3.33Å; Q209-R215 PolarHBondContact O-NH1 2.62Å; Q209-D243 VanDerWaalsContact CB-OD1 3.23Å; Q209-D243 WeakPolarHBondContact CB-OD1 3.41Å; Q209-D243 VanDerWaalsContact N-CG 3.31Å; Q209-D243 PolarHBondContact N-OD1 3.39Å; Q209-D243 PolarHBondContact N-OD2 3.49Å; Q209-G248 WeakPolarHBondContact CB-O 3.36Å; Q209-F252 HydrophobicContact CB-CB 3.75Å; Q209-F252 HydrophobicContact CB-CD1 4.12Å; Q209-F252 HydrophobicContact CB-CG 4.07Å; Q209-F252 HydrophobicContact CG-CB 4.13Å; Q209-F252 VanDerWaalsContact N-CD1 3.31Å |
| 210 | W | 96.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 35.8 Ų | 35.8 | 43% | 0.432 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.1 | -179 | 56.1 | -98.6 | 0 | 0 | 0 | 112.8 | A208 P212 H242 I280 | A208-W210 VanDerWaalsContact C-N 3.3Å; A208-W210 HydrophobicContact CB-CD2 4.08Å; A208-W210 VanDerWaalsContact CB-CE2 3.46Å; A208-W210 HydrophobicContact CB-CG 4.18Å; A208-W210 HydrophobicContact CB-CZ2 3.88Å; A208-W210 PolarHBondContact O-N 2.68Å; W210-P212 WeakPolarHBondContact O-CD 3.36Å; W210-H242 PolarHBondContact NE1-O 3.18Å; W210-I280 HydrophobicContact CH2-CD1 3.78Å; W210-I280 HydrophobicContact CZ2-CD1 3.8Å |
| 211 | C | 96.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 8% | 0.081 | 17% | 0.172 | C | C | . | . | trans | -90.7 | 110.1 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | A208 Q209 C214 R215 I280 | A208-C211 WeakPolarHBondContact O-CB 3.22Å; A208-C211 PolarHBondContact O-N 2.97Å; A208-C211 VanDerWaalsContact O-N 3.16Å; Q209-C211 PolarHBondContact O-N 3.37Å; C211-C214 HydrophobicContact CB-CB 3.85Å; C211-C214 VanDerWaalsContact CB-SG 3.54Å; C211-C214 VanDerWaalsContact O-CB 3.27Å; C211-C214 WeakPolarHBondContact O-CB 3.4Å; C211-C214 PolarHBondContact O-N 2.84Å; C211-C214 PolarHBondContact SG-SG 2.92Å; C211-R215 PolarHBondContact O-N 3.04Å; C211-I280 HydrophobicContact CB-CD1 4.16Å | ||
| 212 | P | 96.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 46% | 0.461 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.4 | -44.4 | -178.2 | -19.3 | 30.3 | 0 | 0 | 0 | 114.5 | W210 C214 R215 S216 | W210-P212 WeakPolarHBondContact O-CD 3.36Å; P212-C214 PolarHBondContact O-N 3.47Å; P212-R215 PolarHBondContact O-N 3.29Å; P212-R215 VanDerWaalsContact O-N 3.12Å; P212-S216 PolarHBondContact O-N 2.88Å |
| 213 | P | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.6 | -34.9 | 173.1 | -27.3 | 35.4 | 0 | 0 | 0 | 113.7 | F217 | P213-F217 WeakPolarHBondContact O-CB 3.47Å; P213-F217 PolarHBondContact O-N 2.78Å |
| 214 | C | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.6 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | A207 A208 C211 P212 S216 F217 V218 F252 P281 | A207-C214 HydrophobicContact CB-CB 3.94Å; A208-C214 WeakPolarHBondContact O-CB 3.32Å; C211-C214 HydrophobicContact CB-CB 3.85Å; C211-C214 VanDerWaalsContact CB-SG 3.54Å; C211-C214 VanDerWaalsContact O-CB 3.27Å; C211-C214 WeakPolarHBondContact O-CB 3.4Å; C211-C214 PolarHBondContact O-N 2.84Å; C211-C214 PolarHBondContact SG-SG 2.92Å; P212-C214 PolarHBondContact O-N 3.47Å; C214-S216 PolarHBondContact O-N 3.43Å; C214-F217 PolarHBondContact O-N 3.05Å; C214-V218 WeakPolarHBondContact O-CB 3.47Å; C214-V218 WeakPolarHBondContact O-CG2 3.42Å; C214-V218 PolarHBondContact O-N 2.84Å; C214-F252 HydrophobicContact CB-CE1 4.28Å; C214-F252 HydrophobicContact CB-CZ 4.14Å; C214-P281 HydrophobicContact CB-CB 4.38Å; C214-P281 VanDerWaalsContact SG-N 3.45Å |
| 215 | R | 97.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 37% | 0.366 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 179.9 | -62.1 | -167.5 | -59.4 | -86.3 | 2.2 | 111.5 | Q209 C211 P212 V218 Q219 F252 | Q209-R215 WeakPolarHBondContact O-CD 3.33Å; Q209-R215 PolarHBondContact O-NH1 2.62Å; C211-R215 PolarHBondContact O-N 3.04Å; P212-R215 PolarHBondContact O-N 3.29Å; P212-R215 VanDerWaalsContact O-N 3.12Å; R215-V218 PolarHBondContact O-N 2.8Å; R215-Q219 PolarHBondContact O-N 3.18Å; R215-F252 HydrophobicContact CG-CE2 4.33Å |
| 216 | S | 96.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | P212 C214 | P212-S216 PolarHBondContact O-N 2.88Å; C214-S216 PolarHBondContact O-N 3.43Å |
| 217 | F | 97.5 | Very high | 97 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 178.2 | 176.3 | -114.4 | 0 | 0 | 0 | 112.3 | L205 P213 C214 Q219 R220 L221 P281 L283 K298 V301 H302 | L205-F217 HydrophobicContact CD1-CD1 4.1Å; L205-F217 HydrophobicContact CD1-CE1 3.76Å; P213-F217 WeakPolarHBondContact O-CB 3.47Å; P213-F217 PolarHBondContact O-N 2.78Å; C214-F217 PolarHBondContact O-N 3.05Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; F217-Q219 PolarHBondContact O-N 2.83Å; F217-R220 PolarHBondContact O-N 2.84Å; F217-R220 VanDerWaalsContact O-N 3.13Å; F217-L221 HydrophobicContact CE1-CB 4.49Å; F217-L221 HydrophobicContact CE1-CD2 4.09Å; F217-L221 HydrophobicContact CZ-CB 4.42Å; F217-L221 HydrophobicContact CZ-CD2 4.4Å; F217-L221 PolarHBondContact O-N 2.59Å; F217-P281 HydrophobicContact CB-CB 4.21Å; F217-P281 HydrophobicContact CB-CG 3.81Å; F217-P281 HydrophobicContact CD1-CB 3.64Å; F217-P281 HydrophobicContact CD1-CG 4.08Å; F217-P281 HydrophobicContact CE1-CB 4.4Å; F217-P281 HydrophobicContact CG-CB 4.16Å; F217-P281 HydrophobicContact CG-CG 4.08Å; F217-L283 HydrophobicContact CE1-CB 4.02Å; F217-L283 HydrophobicContact CZ-CB 3.94Å; F217-L283 HydrophobicContact CZ-CD2 4.05Å; F217-K298 HydrophobicContact CD2-CG 4.02Å; F217-K298 HydrophobicContact CE1-CB 4.5Å; F217-K298 HydrophobicContact CE2-CB 3.99Å; F217-K298 HydrophobicContact CE2-CG 3.75Å; F217-K298 HydrophobicContact CZ-CB 3.88Å; F217-K298 HydrophobicContact CZ-CG 4.08Å; F217-V301 HydrophobicContact CE2-CB 3.94Å; F217-V301 HydrophobicContact CE2-CG1 3.88Å; F217-V301 HydrophobicContact CE2-CG2 4.32Å; F217-V301 HydrophobicContact CZ-CB 4.41Å; F217-V301 HydrophobicContact CZ-CG2 4.29Å; F217-H302 AromaticContact CD2-CE1 3.75Å |
| 218 | V | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | -179.4 | 163.3 | 0 | 0 | 0 | 0 | 112.1 | L205 C214 R215 R220 L221 K222 F252 M256 W258 | L205-V218 HydrophobicContact CD2-CG2 3.88Å; C214-V218 WeakPolarHBondContact O-CB 3.47Å; C214-V218 WeakPolarHBondContact O-CG2 3.42Å; C214-V218 PolarHBondContact O-N 2.84Å; R215-V218 PolarHBondContact O-N 2.8Å; V218-R220 PolarHBondContact O-N 2.81Å; V218-L221 PolarHBondContact O-N 3.05Å; V218-K222 WeakPolarHBondContact O-CG 3.1Å; V218-K222 PolarHBondContact O-N 3.21Å; V218-F252 HydrophobicContact CB-CE2 3.9Å; V218-F252 HydrophobicContact CB-CZ 3.97Å; V218-F252 HydrophobicContact CG1-CE2 3.89Å; V218-F252 HydrophobicContact CG1-CZ 4.35Å; V218-F252 HydrophobicContact CG2-CE1 4.43Å; V218-F252 HydrophobicContact CG2-CE2 3.93Å; V218-F252 HydrophobicContact CG2-CZ 3.52Å; V218-M256 HydrophobicContact CG1-CE 4.18Å; V218-M256 HydrophobicContact CG1-CG 4.1Å; V218-M256 HydrophobicContact CG2-CE 4.11Å; V218-W258 HydrophobicContact CG1-CH2 4.17Å; V218-W258 HydrophobicContact CG1-CZ2 4.04Å; V218-W258 HydrophobicContact CG2-CZ2 4.48Å |
| 219 | Q | 97 | Very high | 96.7 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.8 | -61.4 | -51.5 | -29.9 | 0 | 0 | 112.1 | R215 F217 K222 D255 | R215-Q219 PolarHBondContact O-N 3.18Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; F217-Q219 PolarHBondContact O-N 2.83Å; Q219-K222 PolarHBondContact O-N 3.46Å; Q219-D255 PolarHBondContact NE2-OD2 3Å |
| 220 | R | 96.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 58 Ų | 58 | 48% | 0.475 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.6 | -67.9 | -171 | -119.8 | -76.7 | 2.3 | 112.4 | F217 V218 K222 E223 T224 V301 H302 | F217-R220 PolarHBondContact O-N 2.84Å; F217-R220 VanDerWaalsContact O-N 3.13Å; V218-R220 PolarHBondContact O-N 2.81Å; R220-K222 VanDerWaalsContact C-N 3.29Å; R220-K222 PolarHBondContact O-N 2.74Å; R220-E223 PolarHBondContact O-N 3.06Å; R220-T224 PolarHBondContact O-N 2.92Å; R220-T224 VanDerWaalsContact O-N 3.16Å; R220-T224 PolarHBondContact O-OG1 3.4Å; R220-T224 VanDerWaalsContact O-OG1 3.11Å; R220-V301 HydrophobicContact CB-CG1 4.35Å; R220-H302 PolarHBondContact NE-NE2 2.87Å |
| 221 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 178.9 | 178.6 | 57.7 | 0 | 0 | 0 | 111.5 | L205 F217 V218 E223 T224 Y225 W258 L283 V301 | L205-L221 HydrophobicContact CD1-CD2 4.09Å; L205-L221 HydrophobicContact CD2-CD2 4.17Å; F217-L221 HydrophobicContact CE1-CB 4.49Å; F217-L221 HydrophobicContact CE1-CD2 4.09Å; F217-L221 HydrophobicContact CZ-CB 4.42Å; F217-L221 HydrophobicContact CZ-CD2 4.4Å; F217-L221 PolarHBondContact O-N 2.59Å; V218-L221 PolarHBondContact O-N 3.05Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-E223 PolarHBondContact O-N 3.42Å; L221-T224 PolarHBondContact O-N 3Å; L221-Y225 WeakPolarHBondContact O-CB 3.14Å; L221-Y225 PolarHBondContact O-N 3Å; L221-W258 HydrophobicContact CB-CH2 4.01Å; L221-W258 HydrophobicContact CB-CZ3 4.4Å; L221-W258 HydrophobicContact CD2-CH2 3.63Å; L221-W258 HydrophobicContact CD2-CZ2 4.08Å; L221-W258 HydrophobicContact CD2-CZ3 4.03Å; L221-W258 HydrophobicContact CG-CH2 3.63Å; L221-W258 HydrophobicContact CG-CZ3 3.71Å; L221-L283 HydrophobicContact CD1-CD2 3.72Å; L221-L283 HydrophobicContact CD2-CD1 4.27Å; L221-L283 HydrophobicContact CD2-CD2 4.14Å; L221-V301 HydrophobicContact CD1-CG2 3.77Å |
| 222 | K | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.7 | -71.6 | 179.4 | -151.7 | 169.4 | 0 | 113.1 | V218 Q219 R220 R226 D255 P257 W258 | V218-K222 WeakPolarHBondContact O-CG 3.1Å; V218-K222 PolarHBondContact O-N 3.21Å; Q219-K222 PolarHBondContact O-N 3.46Å; R220-K222 VanDerWaalsContact C-N 3.29Å; R220-K222 PolarHBondContact O-N 2.74Å; K222-R226 VanDerWaalsContact O-CG 3.25Å; K222-R226 WeakPolarHBondContact O-CG 3.22Å; K222-R226 PolarHBondContact O-N 3.33Å; K222-D255 WeakPolarHBondContact CE-O 3.49Å; K222-D255 PolarHBondContact NZ-O 3.27Å; K222-D255 IonicContact NZ-OD1 2.94Å; K222-D255 PolarHBondContact NZ-OD1 3.08Å; K222-D255 IonicContact NZ-OD2 2.82Å; K222-D255 PolarHBondContact NZ-OD2 3.14Å; K222-P257 HydrophobicContact CG-CG 4.25Å; K222-W258 HydrophobicContact CG-CH2 3.87Å; K222-W258 HydrophobicContact CG-CZ3 3.98Å |
| 223 | E | 96.4 | Very high | 94.3 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 179 | -67 | -179.8 | -170.9 | 0 | 0 | 111 | R220 L221 R226 R227 | R220-E223 PolarHBondContact O-N 3.06Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-E223 PolarHBondContact O-N 3.42Å; E223-R226 PolarHBondContact O-N 2.62Å; E223-R227 WeakPolarHBondContact O-CG 3.39Å; E223-R227 PolarHBondContact O-N 2.89Å; E223-R227 VanDerWaalsContact O-N 3.14Å |
| 224 | T | 97.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 178.5 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | R220 L221 R226 R227 I228 A305 W312 | R220-T224 PolarHBondContact O-N 2.92Å; R220-T224 VanDerWaalsContact O-N 3.16Å; R220-T224 PolarHBondContact O-OG1 3.4Å; R220-T224 VanDerWaalsContact O-OG1 3.11Å; L221-T224 PolarHBondContact O-N 3Å; T224-R226 PolarHBondContact O-N 3.49Å; T224-R227 PolarHBondContact O-N 2.63Å; T224-R227 VanDerWaalsContact O-N 3.13Å; T224-I228 HydrophobicContact CG2-CD1 3.92Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.28Å; T224-A305 PolarHBondContact OG1-O 3.08Å; T224-W312 HydrophobicContact CG2-CH2 3.84Å; T224-W312 HydrophobicContact CG2-CZ2 3.81Å |
| 225 | Y | 97.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 61 Ų | 61 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.3 | -46.8 | 175.3 | 172.5 | -100.7 | 0 | 0 | 0 | 112.4 | L221 R227 I228 R229 F235 D236 V237 P257 W258 | L221-Y225 WeakPolarHBondContact O-CB 3.14Å; L221-Y225 PolarHBondContact O-N 3Å; Y225-R227 VanDerWaalsContact C-N 3.32Å; Y225-R227 PolarHBondContact O-N 2.57Å; Y225-I228 PolarHBondContact O-N 3.2Å; Y225-R229 HydrophobicContact CE2-CG 4.14Å; Y225-R229 PolarHBondContact O-N 3.24Å; Y225-R229 WeakPolarHBondContact OH-CD 3.28Å; Y225-R229 PolarHBondContact OH-NH1 3.12Å; Y225-F235 AromaticContact CD2-CD1 3.67Å; Y225-F235 HydrophobicContact CD2-CD1 3.67Å; Y225-F235 AromaticContact CD2-CE1 3.62Å; Y225-F235 HydrophobicContact CD2-CE1 3.62Å; Y225-F235 HydrophobicContact CD2-CZ 4.44Å; Y225-F235 HydrophobicContact CE2-CD1 4.22Å; Y225-F235 HydrophobicContact CE2-CE1 4.46Å; Y225-F235 HydrophobicContact CG-CE1 4.48Å; Y225-D236 PolarHBondContact OH-OD1 3.1Å; Y225-V237 HydrophobicContact CD2-CG2 3.95Å; Y225-V237 HydrophobicContact CE2-CG2 4.28Å; Y225-P257 HydrophobicContact CD1-CB 4.46Å; Y225-P257 HydrophobicContact CD1-CG 3.73Å; Y225-P257 HydrophobicContact CE1-CB 4.11Å; Y225-P257 HydrophobicContact CE1-CG 3.78Å; Y225-W258 HydrophobicContact CD1-CE3 4.19Å; Y225-W258 HydrophobicContact CD2-CE3 4.23Å; Y225-W258 HydrophobicContact CG-CE3 4.01Å; Y225-W258 HydrophobicContact CG-CZ3 4.3Å |
| 226 | R | 95.7 | Very high | 93.6 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177.5 | -72.3 | 173.2 | -166.8 | 130.7 | -2.1 | 111.9 | K222 E223 T224 A230 | K222-R226 VanDerWaalsContact O-CG 3.25Å; K222-R226 WeakPolarHBondContact O-CG 3.22Å; K222-R226 PolarHBondContact O-N 3.33Å; E223-R226 PolarHBondContact O-N 2.62Å; T224-R226 PolarHBondContact O-N 3.49Å; R226-A230 WeakPolarHBondContact O-CB 3.47Å; R226-A230 PolarHBondContact O-N 3.06Å |
| 227 | R | 96 | Very high | 93.6 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 178.5 | -69.9 | 174.9 | -179.4 | 157.7 | -0.5 | 111.9 | E223 T224 Y225 A230 S231 A305 M306 | E223-R227 WeakPolarHBondContact O-CG 3.39Å; E223-R227 PolarHBondContact O-N 2.89Å; E223-R227 VanDerWaalsContact O-N 3.14Å; T224-R227 PolarHBondContact O-N 2.63Å; T224-R227 VanDerWaalsContact O-N 3.13Å; Y225-R227 VanDerWaalsContact C-N 3.32Å; Y225-R227 PolarHBondContact O-N 2.57Å; R227-A230 PolarHBondContact O-N 3.25Å; R227-S231 PolarHBondContact O-N 2.89Å; R227-A305 WeakPolarHBondContact CD-O 2.93Å; R227-A305 PolarHBondContact NH1-O 3.49Å; R227-M306 PolarHBondContact NH1-SD 3.35Å |
| 228 | I | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.9 | -66.4 | 163.5 | 0 | 0 | 0 | 110.8 | T224 Y225 A230 S231 Q233 F235 F310 W312 | T224-I228 HydrophobicContact CG2-CD1 3.92Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.28Å; Y225-I228 PolarHBondContact O-N 3.2Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.41Å; I228-S231 PolarHBondContact O-N 3.36Å; I228-S231 VanDerWaalsContact O-N 3.15Å; I228-S231 PolarHBondContact O-OG 2.77Å; I228-Q233 HydrophobicContact CG2-CB 4.04Å; I228-F235 HydrophobicContact CB-CD1 3.95Å; I228-F235 HydrophobicContact CD1-CD1 3.85Å; I228-F235 HydrophobicContact CD1-CE1 3.77Å; I228-F235 HydrophobicContact CG2-CB 3.62Å; I228-F235 HydrophobicContact CG2-CD1 3.61Å; I228-F235 HydrophobicContact CG2-CG 3.96Å; I228-F310 HydrophobicContact CD1-CB 4.16Å; I228-F310 HydrophobicContact CD1-CD2 3.55Å; I228-F310 HydrophobicContact CD1-CE2 4.15Å; I228-F310 HydrophobicContact CD1-CG 3.94Å; I228-F310 HydrophobicContact CG1-CB 4.16Å; I228-F310 HydrophobicContact CG1-CD2 4.34Å; I228-F310 HydrophobicContact CG1-CG 4.23Å; I228-F310 HydrophobicContact CG2-CB 4.48Å; I228-F310 HydrophobicContact CG2-CD1 3.91Å; I228-F310 HydrophobicContact CG2-CD2 4.34Å; I228-F310 HydrophobicContact CG2-CE1 4.15Å; I228-F310 HydrophobicContact CG2-CG 3.95Å; I228-F310 HydrophobicContact CG2-CZ 4.49Å; I228-W312 HydrophobicContact CD1-CH2 3.88Å; I228-W312 HydrophobicContact CD1-CZ2 3.99Å |
| 229 | R | 93.6 | Very high | 93.7 | Very high | 134 Ų | 134 | 55.1 Ų | 55.1 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.4 | -30.4 | 178.3 | -72.6 | -164 | 64.8 | -175.3 | 3.7 | 113.1 | Y225 S231 S232 F235 D236 | Y225-R229 HydrophobicContact CE2-CG 4.14Å; Y225-R229 PolarHBondContact O-N 3.24Å; Y225-R229 WeakPolarHBondContact OH-CD 3.28Å; Y225-R229 PolarHBondContact OH-NH1 3.12Å; R229-S231 VanDerWaalsContact C-N 3.3Å; R229-S231 PolarHBondContact O-N 3.1Å; R229-S232 PolarHBondContact O-N 3.36Å; R229-F235 WeakPolarHBondContact CD-O 3.17Å; R229-D236 IonicContact NH1-OD1 3Å |
| 230 | A | 93.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 51 Ų | 51 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.3 | -24.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R226 R227 I228 S232 | R226-A230 WeakPolarHBondContact O-CB 3.47Å; R226-A230 PolarHBondContact O-N 3.06Å; R227-A230 PolarHBondContact O-N 3.25Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.41Å; A230-S232 PolarHBondContact O-N 3.31Å |
| 231 | S | 89.7 | Confident | 93.8 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 16.5 | 176.2 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | R227 I228 R229 Q233 | R227-S231 PolarHBondContact O-N 2.89Å; I228-S231 PolarHBondContact O-N 3.36Å; I228-S231 VanDerWaalsContact O-N 3.15Å; I228-S231 PolarHBondContact O-OG 2.77Å; R229-S231 VanDerWaalsContact C-N 3.3Å; R229-S231 PolarHBondContact O-N 3.1Å; S231-Q233 PolarHBondContact O-N 3.01Å |
| 232 | S | 75.3 | Confident | 93.7 | Very high | 117 Ų | 117 | 48.8 Ų | 48.8 | 82% | 0.818 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 18.6 | -179.7 | -55 | 0 | 0 | 0 | 0 | 115.5 | R229 A230 | R229-S232 PolarHBondContact O-N 3.36Å; A230-S232 PolarHBondContact O-N 3.31Å |
| 233 | Q | 76.6 | Confident | 93.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | trans | -83.9 | 136 | 173.5 | -62.6 | 176.6 | 7.4 | 0 | 0 | 110.7 | I228 S231 F235 | I228-Q233 HydrophobicContact CG2-CB 4.04Å; S231-Q233 PolarHBondContact O-N 3.01Å; Q233-F235 PolarHBondContact O-N 3.4Å | ||
| 234 | T | 88.1 | Confident | 93.5 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | trans | -76.7 | 90.1 | 174.9 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | K199 G200 V201 | K199-T234 VanDerWaalsContact O-CB 3.3Å; K199-T234 WeakPolarHBondContact O-CB 3.16Å; K199-T234 PolarHBondContact O-OG1 2.83Å; G200-T234 WeakPolarHBondContact CA-O 3.29Å; G200-T234 VanDerWaalsContact CA-OG1 3.25Å; G200-T234 WeakPolarHBondContact CA-OG1 3.41Å; V201-T234 PolarHBondContact N-O 3.43Å | ||
| 235 | F | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.5 | 178.3 | 177.6 | -138.2 | 0 | 0 | 0 | 111.4 | V201 Y225 I228 R229 Q233 V237 F310 | V201-F235 WeakPolarHBondContact O-CA 2.83Å; Y225-F235 AromaticContact CD2-CD1 3.67Å; Y225-F235 HydrophobicContact CD2-CD1 3.67Å; Y225-F235 AromaticContact CD2-CE1 3.62Å; Y225-F235 HydrophobicContact CD2-CE1 3.62Å; Y225-F235 HydrophobicContact CD2-CZ 4.44Å; Y225-F235 HydrophobicContact CE2-CD1 4.22Å; Y225-F235 HydrophobicContact CE2-CE1 4.46Å; Y225-F235 HydrophobicContact CG-CE1 4.48Å; I228-F235 HydrophobicContact CB-CD1 3.95Å; I228-F235 HydrophobicContact CD1-CD1 3.85Å; I228-F235 HydrophobicContact CD1-CE1 3.77Å; I228-F235 HydrophobicContact CG2-CB 3.62Å; I228-F235 HydrophobicContact CG2-CD1 3.61Å; I228-F235 HydrophobicContact CG2-CG 3.96Å; R229-F235 WeakPolarHBondContact CD-O 3.17Å; Q233-F235 PolarHBondContact O-N 3.4Å; F235-V237 HydrophobicContact CE1-CG2 4.04Å; F235-V237 HydrophobicContact CE2-CG2 3.92Å; F235-V237 HydrophobicContact CZ-CG2 3.47Å; F235-V237 VanDerWaalsContact CZ-CG2 3.47Å; F235-F310 HydrophobicContact CB-CE1 4.01Å; F235-F310 HydrophobicContact CB-CZ 3.81Å; F235-F310 HydrophobicContact CD1-CE2 4.16Å; F235-F310 HydrophobicContact CD1-CZ 4.19Å; F235-F310 HydrophobicContact CD2-CE1 4.31Å; F235-F310 AromaticContact CD2-CE2 3.7Å; F235-F310 HydrophobicContact CD2-CE2 3.7Å; F235-F310 AromaticContact CD2-CZ 3.29Å; F235-F310 HydrophobicContact CD2-CZ 3.29Å; F235-F310 HydrophobicContact CE1-CE2 4.19Å; F235-F310 AromaticContact CE2-CE2 3.73Å; F235-F310 HydrophobicContact CE2-CE2 3.73Å; F235-F310 AromaticContact CE2-CZ 3.81Å; F235-F310 HydrophobicContact CE2-CZ 3.81Å; F235-F310 HydrophobicContact CG-CE1 4.21Å; F235-F310 AromaticContact CG-CE2 3.91Å; F235-F310 HydrophobicContact CG-CE2 3.91Å; F235-F310 AromaticContact CG-CZ 3.51Å; F235-F310 HydrophobicContact CG-CZ 3.51Å; F235-F310 AromaticContact CZ-CE2 3.99Å; F235-F310 HydrophobicContact CZ-CE2 3.99Å; F235-F310 HydrophobicContact CZ-CZ 4.43Å |
| 236 | D | 94.5 | Very high | 93.5 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.8 | 166.6 | -94 | -38.7 | 0 | 0 | 0 | 112.4 | V201 R202 G203 Y225 R229 | V201-D236 PolarHBondContact O-N 2.91Å; R202-D236 CarbonylContact C-O 3.48Å; R202-D236 VanDerWaalsContact CA-O 3.27Å; R202-D236 WeakPolarHBondContact CA-O 3.24Å; G203-D236 PolarHBondContact N-O 2.9Å; Y225-D236 PolarHBondContact OH-OD1 3.1Å; R229-D236 IonicContact NH1-OD1 3Å |
| 237 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.8 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | G203 L205 Y225 F235 W258 L259 | G203-V237 CarbonylContact O-C 3.51Å; G203-V237 WeakPolarHBondContact O-CA 3.38Å; G203-V237 WeakPolarHBondContact O-CG1 3.41Å; L205-V237 HydrophobicContact CB-CG1 3.75Å; L205-V237 HydrophobicContact CD2-CG1 4.42Å; Y225-V237 HydrophobicContact CD2-CG2 3.95Å; Y225-V237 HydrophobicContact CE2-CG2 4.28Å; F235-V237 HydrophobicContact CE1-CG2 4.04Å; F235-V237 HydrophobicContact CE2-CG2 3.92Å; F235-V237 HydrophobicContact CZ-CG2 3.47Å; F235-V237 VanDerWaalsContact CZ-CG2 3.47Å; V237-W258 HydrophobicContact CB-CB 3.75Å; V237-W258 HydrophobicContact CB-CD2 3.64Å; V237-W258 HydrophobicContact CB-CE3 3.91Å; V237-W258 HydrophobicContact CB-CG 3.54Å; V237-W258 HydrophobicContact CG1-CB 4.4Å; V237-W258 HydrophobicContact CG1-CD2 3.63Å; V237-W258 HydrophobicContact CG1-CE3 4.17Å; V237-W258 HydrophobicContact CG1-CG 3.69Å; V237-W258 HydrophobicContact CG2-CD2 4.34Å; V237-W258 HydrophobicContact CG2-CE3 4.11Å; V237-W258 WeakPolarHBondContact O-CB 3.11Å; V237-L259 WeakPolarHBondContact O-CB 3.4Å; V237-L259 PolarHBondContact O-N 2.86Å |
| 238 | I | 97.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.8 | 174.4 | -57.9 | 177.4 | 0 | 0 | 0 | 107.1 | L184 F194 L197 G203 F204 L205 C240 L259 I261 | L184-I238 HydrophobicContact CD1-CD1 4.11Å; L184-I238 HydrophobicContact CD2-CG2 4.06Å; F194-I238 HydrophobicContact CD1-CD1 4.13Å; F194-I238 HydrophobicContact CE1-CD1 3.5Å; F194-I238 HydrophobicContact CZ-CD1 4.27Å; F194-I238 HydrophobicContact CZ-CG2 4.3Å; L197-I238 HydrophobicContact CD1-CD1 3.94Å; G203-I238 PolarHBondContact O-N 3.38Å; F204-I238 HydrophobicContact CD1-CB 4.44Å; F204-I238 HydrophobicContact CE1-CB 4.45Å; F204-I238 HydrophobicContact CE1-CD1 4.24Å; F204-I238 HydrophobicContact CE1-CG2 4.48Å; F204-I238 HydrophobicContact CE2-CD1 4.37Å; F204-I238 HydrophobicContact CZ-CD1 3.94Å; L205-I238 PolarHBondContact N-O 3.42Å; I238-C240 PolarHBondContact O-N 2.82Å; I238-L259 HydrophobicContact CG1-CB 4.39Å; I238-L259 HydrophobicContact CG1-CD1 4.36Å; I238-I261 HydrophobicContact CG2-CD1 4.49Å; I238-I261 HydrophobicContact CG2-CG1 4.1Å |
| 239 | F | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.2 | 176.6 | 175.4 | -133 | 0 | 0 | 0 | 110.8 | L205 A207 F249 F252 M256 L259 A260 I261 | L205-F239 HydrophobicContact CD2-CD2 4.13Å; L205-F239 HydrophobicContact CG-CD2 4.24Å; A207-F239 HydrophobicContact CB-CE2 3.97Å; A207-F239 WeakPolarHBondContact O-CE2 3.36Å; F239-F249 HydrophobicContact CD1-CD2 4.4Å; F239-F249 AromaticContact CD1-CE2 3.92Å; F239-F249 HydrophobicContact CD1-CE2 3.92Å; F239-F249 AromaticContact CE1-CD2 3.69Å; F239-F249 HydrophobicContact CE1-CD2 3.69Å; F239-F249 AromaticContact CE1-CE2 3.67Å; F239-F249 HydrophobicContact CE1-CE2 3.67Å; F239-F252 HydrophobicContact CE2-CD1 4.45Å; F239-F252 AromaticContact CZ-CD1 3.96Å; F239-F252 HydrophobicContact CZ-CD1 3.96Å; F239-F252 HydrophobicContact CZ-CE1 4.46Å; F239-M256 HydrophobicContact CB-SD 4.09Å; F239-M256 HydrophobicContact CD1-CE 4.28Å; F239-M256 HydrophobicContact CD1-SD 3.84Å; F239-M256 HydrophobicContact CD2-CE 4.1Å; F239-M256 HydrophobicContact CD2-SD 4.15Å; F239-M256 HydrophobicContact CE1-CE 4.2Å; F239-M256 HydrophobicContact CE1-SD 4.31Å; F239-M256 HydrophobicContact CE2-CE 4.05Å; F239-M256 HydrophobicContact CG-CE 4.24Å; F239-M256 HydrophobicContact CG-SD 3.75Å; F239-M256 HydrophobicContact CZ-CE 4.09Å; F239-L259 WeakPolarHBondContact CB-O 3.48Å; F239-L259 PolarHBondContact N-O 3.16Å; F239-A260 HydrophobicContact CB-CB 3.94Å; F239-A260 HydrophobicContact CD1-CB 3.99Å; F239-A260 HydrophobicContact CG-CB 4.46Å; F239-I261 PolarHBondContact O-N 3.3Å |
| 240 | C | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 104.6 | 172.1 | -61 | 0 | 0 | 0 | 0 | 108.5 | L205 F206 A207 I238 | L205-C240 PolarHBondContact O-N 3.44Å; F206-C240 WeakPolarHBondContact CA-O 3.21Å; F206-C240 HydrophobicContact CD1-CB 3.48Å; F206-C240 VanDerWaalsContact CD1-CB 3.48Å; F206-C240 HydrophobicContact CE1-CB 3.41Å; F206-C240 VanDerWaalsContact CE1-CB 3.41Å; F206-C240 HydrophobicContact CG-CB 4.23Å; F206-C240 HydrophobicContact CZ-CB 4.11Å; A207-C240 PolarHBondContact N-O 3.3Å; I238-C240 PolarHBondContact O-N 2.82Å |
| 241 | S | 97.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.3 | -170.9 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | D243 F249 S268 | S241-D243 WeakPolarHBondContact OG-CB 3.42Å; S241-D243 PolarHBondContact OG-N 2.95Å; S241-F249 WeakPolarHBondContact OG-CD2 3.48Å; S241-S268 PolarHBondContact N-OG 3.41Å |
| 242 | H | 95.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | trans | -108.2 | 16 | 164 | -76 | -131.7 | 0 | 0 | 0 | 111.4 | F206 A207 A208 W210 S272 I280 | F206-H242 AromaticContact CD1-NE2 3.58Å; A207-H242 PolarHBondContact O-N 3.27Å; A208-H242 HydrophobicContact CB-CB 3.99Å; W210-H242 PolarHBondContact NE1-O 3.18Å; H242-S272 PolarHBondContact NE2-OG 3.17Å; H242-I280 HydrophobicContact CB-CD1 3.98Å | ||
| 243 | D | 96.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 49 Ų | 49 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | trans | -66.9 | 145.5 | 176.4 | -84.1 | -65.6 | 0 | 0 | 0 | 112.2 | Q209 S241 F249 | Q209-D243 VanDerWaalsContact CB-OD1 3.23Å; Q209-D243 WeakPolarHBondContact CB-OD1 3.41Å; Q209-D243 VanDerWaalsContact N-CG 3.31Å; Q209-D243 PolarHBondContact N-OD1 3.39Å; Q209-D243 PolarHBondContact N-OD2 3.49Å; S241-D243 WeakPolarHBondContact OG-CB 3.42Å; S241-D243 PolarHBondContact OG-N 2.95Å; D243-F249 HydrophobicContact CB-CB 4.12Å | ||
| 244 | R | 94.1 | Very high | 96.2 | Very high | 195 Ų | 195 | 50.8 Ų | 50.8 | 74% | 0.736 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -96.3 | 0.6 | -176.7 | -57.1 | 176 | -172.5 | -178.7 | 0.5 | 113 | ||
| 245 | S | 96.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -150.2 | 148.8 | 179.9 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | L247 G248 F249 Y263 | S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 3.23Å; S245-G248 PolarHBondContact O-N 3.48Å; S245-G248 PolarHBondContact OG-N 3.43Å; S245-G248 VanDerWaalsContact OG-N 3.11Å; S245-F249 PolarHBondContact O-N 2.84Å; S245-F249 VanDerWaalsContact O-N 3.07Å; S245-Y263 VanDerWaalsContact C-CZ 3.45Å; S245-Y263 VanDerWaalsContact CA-OH 3.3Å; S245-Y263 WeakPolarHBondContact CA-OH 3.46Å; S245-Y263 PolarHBondContact N-OH 3.38Å; S245-Y263 WeakPolarHBondContact O-CE2 3.32Å |
| 246 | P | 97.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 178.3 | 23.4 | -33.1 | 0 | 0 | 0 | 112 | F249 Q250 Y263 | P246-F249 PolarHBondContact O-N 2.91Å; P246-Q250 WeakPolarHBondContact O-CB 3.22Å; P246-Q250 PolarHBondContact O-N 2.99Å; P246-Y263 HydrophobicContact CB-CD1 3.78Å; P246-Y263 HydrophobicContact CB-CE1 3.84Å; P246-Y263 HydrophobicContact CB-CG 4.29Å; P246-Y263 HydrophobicContact CG-CE1 4.22Å |
| 247 | L | 97.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -39 | 176.5 | -178.3 | 65.1 | 0 | 0 | 0 | 112.3 | S245 R251 | S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 3.23Å; L247-R251 HydrophobicContact CD1-CG 4.32Å; L247-R251 WeakPolarHBondContact O-CB 3.27Å; L247-R251 VanDerWaalsContact O-CG 3.32Å; L247-R251 WeakPolarHBondContact O-CG 3.33Å; L247-R251 PolarHBondContact O-N 3.46Å |
| 248 | G | 96.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q209 S245 F252 | Q209-G248 WeakPolarHBondContact CB-O 3.36Å; S245-G248 PolarHBondContact O-N 3.48Å; S245-G248 PolarHBondContact OG-N 3.43Å; S245-G248 VanDerWaalsContact OG-N 3.11Å; G248-F252 PolarHBondContact O-N 3.46Å |
| 249 | F | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.2 | -53.9 | 174.4 | 170.3 | -96.9 | 0 | 0 | 0 | 112 | L185 F239 S241 D243 S245 P246 R251 F252 Y253 A260 I261 Y263 | L185-F249 HydrophobicContact CD1-CE1 4Å; L185-F249 HydrophobicContact CD1-CZ 3.93Å; F239-F249 HydrophobicContact CD1-CD2 4.4Å; F239-F249 AromaticContact CD1-CE2 3.92Å; F239-F249 HydrophobicContact CD1-CE2 3.92Å; F239-F249 AromaticContact CE1-CD2 3.69Å; F239-F249 HydrophobicContact CE1-CD2 3.69Å; F239-F249 AromaticContact CE1-CE2 3.67Å; F239-F249 HydrophobicContact CE1-CE2 3.67Å; S241-F249 WeakPolarHBondContact OG-CD2 3.48Å; D243-F249 HydrophobicContact CB-CB 4.12Å; S245-F249 PolarHBondContact O-N 2.84Å; S245-F249 VanDerWaalsContact O-N 3.07Å; P246-F249 PolarHBondContact O-N 2.91Å; F249-R251 PolarHBondContact O-N 3.42Å; F249-F252 PolarHBondContact O-N 3.32Å; F249-F252 VanDerWaalsContact O-N 3.17Å; F249-Y253 HydrophobicContact CZ-CG 4.48Å; F249-Y253 WeakPolarHBondContact O-CB 3.35Å; F249-Y253 PolarHBondContact O-N 3.16Å; F249-A260 HydrophobicContact CE2-CB 4.37Å; F249-A260 HydrophobicContact CZ-CB 4.12Å; F249-I261 WeakPolarHBondContact CE2-O 3.37Å; F249-I261 WeakPolarHBondContact CZ-O 3.47Å; F249-Y263 HydrophobicContact CB-CD2 3.6Å; F249-Y263 HydrophobicContact CB-CE2 4.39Å; F249-Y263 HydrophobicContact CB-CG 4.2Å; F249-Y263 HydrophobicContact CD2-CD2 4.47Å; F249-Y263 HydrophobicContact CG-CD2 4.01Å; F249-Y263 HydrophobicContact CG-CG 4.31Å |
| 250 | Q | 97.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 50.9 Ų | 50.9 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | -175.2 | -175.5 | 170 | 17 | 0 | 0 | 111.3 | P246 F252 Y253 D254 | P246-Q250 WeakPolarHBondContact O-CB 3.22Å; P246-Q250 PolarHBondContact O-N 2.99Å; Q250-F252 PolarHBondContact O-N 2.95Å; Q250-Y253 PolarHBondContact O-N 2.94Å; Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 PolarHBondContact O-N 3.25Å |
| 251 | R | 94.8 | Very high | 96.2 | Very high | 158 Ų | 158 | 50.9 Ų | 50.9 | 60% | 0.596 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.2 | -35.8 | 178.4 | -76.1 | 178.6 | 174.5 | -174.7 | -0.8 | 113.4 | L247 F249 | L247-R251 HydrophobicContact CD1-CG 4.32Å; L247-R251 WeakPolarHBondContact O-CB 3.27Å; L247-R251 VanDerWaalsContact O-CG 3.32Å; L247-R251 WeakPolarHBondContact O-CG 3.33Å; L247-R251 PolarHBondContact O-N 3.46Å; F249-R251 PolarHBondContact O-N 3.42Å |
| 252 | F | 96.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -82.8 | -40.6 | -178.6 | -163.3 | -158.5 | 0 | 0 | 0 | 111.7 | A207 Q209 C214 R215 V218 F239 G248 F249 Q250 D255 M256 | A207-F252 HydrophobicContact CB-CE1 3.84Å; A207-F252 HydrophobicContact CB-CZ 4.38Å; Q209-F252 HydrophobicContact CB-CB 3.75Å; Q209-F252 HydrophobicContact CB-CD1 4.12Å; Q209-F252 HydrophobicContact CB-CG 4.07Å; Q209-F252 HydrophobicContact CG-CB 4.13Å; Q209-F252 VanDerWaalsContact N-CD1 3.31Å; C214-F252 HydrophobicContact CB-CE1 4.28Å; C214-F252 HydrophobicContact CB-CZ 4.14Å; R215-F252 HydrophobicContact CG-CE2 4.33Å; V218-F252 HydrophobicContact CB-CE2 3.9Å; V218-F252 HydrophobicContact CB-CZ 3.97Å; V218-F252 HydrophobicContact CG1-CE2 3.89Å; V218-F252 HydrophobicContact CG1-CZ 4.35Å; V218-F252 HydrophobicContact CG2-CE1 4.43Å; V218-F252 HydrophobicContact CG2-CE2 3.93Å; V218-F252 HydrophobicContact CG2-CZ 3.52Å; F239-F252 HydrophobicContact CE2-CD1 4.45Å; F239-F252 AromaticContact CZ-CD1 3.96Å; F239-F252 HydrophobicContact CZ-CD1 3.96Å; F239-F252 HydrophobicContact CZ-CE1 4.46Å; G248-F252 PolarHBondContact O-N 3.46Å; F249-F252 PolarHBondContact O-N 3.32Å; F249-F252 VanDerWaalsContact O-N 3.17Å; Q250-F252 PolarHBondContact O-N 2.95Å; F252-D255 PolarHBondContact O-N 3.5Å; F252-M256 HydrophobicContact CB-CE 4.33Å; F252-M256 HydrophobicContact CD1-CE 3.44Å; F252-M256 VanDerWaalsContact CD1-CE 3.44Å; F252-M256 HydrophobicContact CD2-CE 3.51Å; F252-M256 HydrophobicContact CE1-CE 3.51Å; F252-M256 HydrophobicContact CE2-CE 3.58Å; F252-M256 HydrophobicContact CG-CE 3.46Å; F252-M256 VanDerWaalsContact CG-CE 3.46Å; F252-M256 HydrophobicContact CZ-CE 3.6Å; F252-M256 WeakPolarHBondContact O-CG 3.31Å |
| 253 | Y | 96.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.09 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.1 | 176.3 | -113.8 | 0 | 0 | 0 | 111.3 | L185 S186 K187 F249 Q250 D255 M256 W258 A260 | L185-Y253 HydrophobicContact CB-CE1 4.35Å; L185-Y253 HydrophobicContact CB-CE2 4.48Å; L185-Y253 WeakPolarHBondContact CB-OH 3.33Å; L185-Y253 HydrophobicContact CD1-CE1 4.36Å; L185-Y253 PolarHBondContact O-OH 3.33Å; S186-Y253 VanDerWaalsContact C-OH 3.24Å; S186-Y253 PolarHBondContact O-OH 3.32Å; K187-Y253 WeakPolarHBondContact CE-OH 3.2Å; K187-Y253 PolarHBondContact NZ-O 3.32Å; F249-Y253 HydrophobicContact CZ-CG 4.48Å; F249-Y253 WeakPolarHBondContact O-CB 3.35Å; F249-Y253 PolarHBondContact O-N 3.16Å; Q250-Y253 PolarHBondContact O-N 2.94Å; Y253-D255 PolarHBondContact O-N 2.91Å; Y253-M256 WeakPolarHBondContact O-CB 3.33Å; Y253-M256 PolarHBondContact O-N 3.04Å; Y253-W258 WeakPolarHBondContact CE2-O 3.31Å; Y253-A260 HydrophobicContact CD2-CB 3.45Å; Y253-A260 VanDerWaalsContact CD2-CB 3.45Å; Y253-A260 HydrophobicContact CE2-CB 3.37Å; Y253-A260 HydrophobicContact CG-CB 4.39Å |
| 254 | D | 95 | Very high | 96.1 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.3 | -30.4 | -179.2 | -70.7 | -15.7 | 0 | 0 | 0 | 112.6 | Q250 | Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 PolarHBondContact O-N 3.25Å |
| 255 | D | 91.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11.4 | 178.9 | -171 | 32.5 | 0 | 0 | 0 | 113.3 | Q219 K222 F252 Y253 | Q219-D255 PolarHBondContact NE2-OD2 3Å; K222-D255 WeakPolarHBondContact CE-O 3.49Å; K222-D255 PolarHBondContact NZ-O 3.27Å; K222-D255 IonicContact NZ-OD1 2.94Å; K222-D255 PolarHBondContact NZ-OD1 3.08Å; K222-D255 IonicContact NZ-OD2 2.82Å; K222-D255 PolarHBondContact NZ-OD2 3.14Å; F252-D255 PolarHBondContact O-N 3.5Å; Y253-D255 PolarHBondContact O-N 2.91Å |
| 256 | M | 95.7 | Very high | 96 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | trans | -92.2 | 148 | -179.2 | -64.9 | 173.7 | -169.9 | 0 | 0 | 112.7 | K187 L205 V218 F239 F252 Y253 W258 | K187-M256 WeakPolarHBondContact CD-O 3.38Å; K187-M256 WeakPolarHBondContact CE-O 3.23Å; K187-M256 PolarHBondContact NZ-O 3.35Å; L205-M256 HydrophobicContact CD2-CE 4.35Å; L205-M256 HydrophobicContact CD2-SD 4.39Å; V218-M256 HydrophobicContact CG1-CE 4.18Å; V218-M256 HydrophobicContact CG1-CG 4.1Å; V218-M256 HydrophobicContact CG2-CE 4.11Å; F239-M256 HydrophobicContact CB-SD 4.09Å; F239-M256 HydrophobicContact CD1-CE 4.28Å; F239-M256 HydrophobicContact CD1-SD 3.84Å; F239-M256 HydrophobicContact CD2-CE 4.1Å; F239-M256 HydrophobicContact CD2-SD 4.15Å; F239-M256 HydrophobicContact CE1-CE 4.2Å; F239-M256 HydrophobicContact CE1-SD 4.31Å; F239-M256 HydrophobicContact CE2-CE 4.05Å; F239-M256 HydrophobicContact CG-CE 4.24Å; F239-M256 HydrophobicContact CG-SD 3.75Å; F239-M256 HydrophobicContact CZ-CE 4.09Å; F252-M256 HydrophobicContact CB-CE 4.33Å; F252-M256 HydrophobicContact CD1-CE 3.44Å; F252-M256 VanDerWaalsContact CD1-CE 3.44Å; F252-M256 HydrophobicContact CD2-CE 3.51Å; F252-M256 HydrophobicContact CE1-CE 3.51Å; F252-M256 HydrophobicContact CE2-CE 3.58Å; F252-M256 HydrophobicContact CG-CE 3.46Å; F252-M256 VanDerWaalsContact CG-CE 3.46Å; F252-M256 HydrophobicContact CZ-CE 3.6Å; F252-M256 WeakPolarHBondContact O-CG 3.31Å; Y253-M256 WeakPolarHBondContact O-CB 3.33Å; Y253-M256 PolarHBondContact O-N 3.04Å; M256-W258 HydrophobicContact CB-CD2 4.29Å; M256-W258 HydrophobicContact CB-CG 4.42Å; M256-W258 HydrophobicContact CB-CZ2 4.03Å; M256-W258 HydrophobicContact CG-CZ2 3.66Å; M256-W258 HydrophobicContact SD-CZ2 3.95Å; M256-W258 PolarHBondContact SD-NE1 3Å | ||
| 257 | P | 95.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -94.8 | 5.6 | 178.1 | 37.6 | -37.9 | 0 | 0 | 0 | 114.8 | K222 Y225 | K222-P257 HydrophobicContact CG-CG 4.25Å; Y225-P257 HydrophobicContact CD1-CB 4.46Å; Y225-P257 HydrophobicContact CD1-CG 3.73Å; Y225-P257 HydrophobicContact CE1-CB 4.11Å; Y225-P257 HydrophobicContact CE1-CG 3.78Å |
| 258 | W | 96 | Very high | 95.9 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -123 | -179.6 | -167.9 | 53.5 | 58.7 | 0 | 0 | 0 | 112.7 | K187 L205 V218 L221 K222 Y225 V237 Y253 M256 | K187-W258 WeakPolarHBondContact CE-O 3.33Å; L205-W258 HydrophobicContact CD2-CH2 4.47Å; L205-W258 HydrophobicContact CD2-CZ2 3.5Å; L205-W258 VanDerWaalsContact CD2-CZ2 3.5Å; V218-W258 HydrophobicContact CG1-CH2 4.17Å; V218-W258 HydrophobicContact CG1-CZ2 4.04Å; V218-W258 HydrophobicContact CG2-CZ2 4.48Å; L221-W258 HydrophobicContact CB-CH2 4.01Å; L221-W258 HydrophobicContact CB-CZ3 4.4Å; L221-W258 HydrophobicContact CD2-CH2 3.63Å; L221-W258 HydrophobicContact CD2-CZ2 4.08Å; L221-W258 HydrophobicContact CD2-CZ3 4.03Å; L221-W258 HydrophobicContact CG-CH2 3.63Å; L221-W258 HydrophobicContact CG-CZ3 3.71Å; K222-W258 HydrophobicContact CG-CH2 3.87Å; K222-W258 HydrophobicContact CG-CZ3 3.98Å; Y225-W258 HydrophobicContact CD1-CE3 4.19Å; Y225-W258 HydrophobicContact CD2-CE3 4.23Å; Y225-W258 HydrophobicContact CG-CE3 4.01Å; Y225-W258 HydrophobicContact CG-CZ3 4.3Å; V237-W258 HydrophobicContact CB-CB 3.75Å; V237-W258 HydrophobicContact CB-CD2 3.64Å; V237-W258 HydrophobicContact CB-CE3 3.91Å; V237-W258 HydrophobicContact CB-CG 3.54Å; V237-W258 HydrophobicContact CG1-CB 4.4Å; V237-W258 HydrophobicContact CG1-CD2 3.63Å; V237-W258 HydrophobicContact CG1-CE3 4.17Å; V237-W258 HydrophobicContact CG1-CG 3.69Å; V237-W258 HydrophobicContact CG2-CD2 4.34Å; V237-W258 HydrophobicContact CG2-CE3 4.11Å; V237-W258 WeakPolarHBondContact O-CB 3.11Å; Y253-W258 WeakPolarHBondContact CE2-O 3.31Å; M256-W258 HydrophobicContact CB-CD2 4.29Å; M256-W258 HydrophobicContact CB-CG 4.42Å; M256-W258 HydrophobicContact CB-CZ2 4.03Å; M256-W258 HydrophobicContact CG-CZ2 3.66Å; M256-W258 HydrophobicContact SD-CZ2 3.95Å; M256-W258 PolarHBondContact SD-NE1 3Å |
| 259 | L | 96.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 158.3 | -175.6 | -57 | 172.2 | 0 | 0 | 0 | 111.9 | L184 L185 L197 V237 I238 F239 | L184-L259 HydrophobicContact CD1-CD1 4.08Å; L185-L259 VanDerWaalsContact O-CA 3.28Å; L185-L259 WeakPolarHBondContact O-CA 3.24Å; L197-L259 HydrophobicContact CD2-CD1 3.46Å; L197-L259 VanDerWaalsContact CD2-CD1 3.46Å; V237-L259 WeakPolarHBondContact O-CB 3.4Å; V237-L259 PolarHBondContact O-N 2.86Å; I238-L259 HydrophobicContact CG1-CB 4.39Å; I238-L259 HydrophobicContact CG1-CD1 4.36Å; F239-L259 WeakPolarHBondContact CB-O 3.48Å; F239-L259 PolarHBondContact N-O 3.16Å |
| 260 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L185 F239 F249 Y253 | L185-A260 HydrophobicContact CB-CB 4.42Å; L185-A260 PolarHBondContact N-O 2.98Å; L185-A260 PolarHBondContact O-N 3.09Å; F239-A260 HydrophobicContact CB-CB 3.94Å; F239-A260 HydrophobicContact CD1-CB 3.99Å; F239-A260 HydrophobicContact CG-CB 4.46Å; F249-A260 HydrophobicContact CE2-CB 4.37Å; F249-A260 HydrophobicContact CZ-CB 4.12Å; Y253-A260 HydrophobicContact CD2-CB 3.45Å; Y253-A260 VanDerWaalsContact CD2-CB 3.45Å; Y253-A260 HydrophobicContact CE2-CB 3.37Å; Y253-A260 HydrophobicContact CG-CB 4.39Å |
| 261 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 131.8 | 162.4 | -63.4 | 175.4 | 0 | 0 | 0 | 107.5 | L184 F194 I238 F239 F249 D265 R267 S268 I271 | L184-I261 HydrophobicContact CD2-CG1 3.69Å; F194-I261 HydrophobicContact CE2-CG1 4.45Å; F194-I261 HydrophobicContact CZ-CD1 4.21Å; F194-I261 HydrophobicContact CZ-CG1 4.31Å; I238-I261 HydrophobicContact CG2-CD1 4.49Å; I238-I261 HydrophobicContact CG2-CG1 4.1Å; F239-I261 PolarHBondContact O-N 3.3Å; F249-I261 WeakPolarHBondContact CE2-O 3.37Å; F249-I261 WeakPolarHBondContact CZ-O 3.47Å; I261-D265 HydrophobicContact CG2-CB 3.76Å; I261-R267 HydrophobicContact CD1-CB 4.2Å; I261-R267 HydrophobicContact CG2-CB 4.2Å; I261-S268 WeakPolarHBondContact CB-OG 3.43Å; I261-S268 WeakPolarHBondContact CG2-OG 3.32Å; I261-I271 HydrophobicContact CD1-CD1 3.46Å; I261-I271 VanDerWaalsContact CD1-CD1 3.46Å |
| 262 | P | 96.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 147.5 | 178.6 | -25.2 | 32.8 | 0 | 0 | 0 | 113.4 | L185 D265 | L185-P262 HydrophobicContact CD1-CB 4.5Å; L185-P262 HydrophobicContact CD2-CG 4.13Å; L185-P262 HydrophobicContact CG-CB 4.46Å; L185-P262 HydrophobicContact CG-CG 4.03Å; P262-D265 WeakPolarHBondContact O-CB 3.22Å; P262-D265 PolarHBondContact O-N 3.27Å |
| 263 | Y | 96.8 | Very high | 95.4 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 141.1 | 175.1 | 179.7 | -93.6 | 0 | 0 | 0 | 111.8 | S245 P246 F249 D265 | S245-Y263 VanDerWaalsContact C-CZ 3.45Å; S245-Y263 VanDerWaalsContact CA-OH 3.3Å; S245-Y263 WeakPolarHBondContact CA-OH 3.46Å; S245-Y263 PolarHBondContact N-OH 3.38Å; S245-Y263 WeakPolarHBondContact O-CE2 3.32Å; P246-Y263 HydrophobicContact CB-CD1 3.78Å; P246-Y263 HydrophobicContact CB-CE1 3.84Å; P246-Y263 HydrophobicContact CB-CG 4.29Å; P246-Y263 HydrophobicContact CG-CE1 4.22Å; F249-Y263 HydrophobicContact CB-CD2 3.6Å; F249-Y263 HydrophobicContact CB-CE2 4.39Å; F249-Y263 HydrophobicContact CB-CG 4.2Å; F249-Y263 HydrophobicContact CD2-CD2 4.47Å; F249-Y263 HydrophobicContact CG-CD2 4.01Å; F249-Y263 HydrophobicContact CG-CG 4.31Å; Y263-D265 PolarHBondContact O-N 2.93Å |
| 264 | G | 93.8 | Very high | 95.2 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 265 | D | 95.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | trans | -81.2 | 121.4 | 172.8 | -166.1 | -49.5 | 0 | 0 | 0 | 110.9 | I261 P262 Y263 R267 S268 | I261-D265 HydrophobicContact CG2-CB 3.76Å; P262-D265 WeakPolarHBondContact O-CB 3.22Å; P262-D265 PolarHBondContact O-N 3.27Å; Y263-D265 PolarHBondContact O-N 2.93Å; D265-R267 PolarHBondContact O-N 3.11Å; D265-R267 VanDerWaalsContact O-N 3.08Å; D265-R267 WeakPolarHBondContact OD1-CB 3.34Å; D265-R267 WeakPolarHBondContact OD1-CG 3.49Å; D265-R267 IonicContact OD1-CZ 3.71Å; D265-R267 PolarHBondContact OD1-N 3.48Å; D265-R267 IonicContact OD1-NE 2.67Å; D265-R267 PolarHBondContact OD1-NE 3.42Å; D265-R267 IonicContact OD2-CZ 2.68Å; D265-R267 IonicContact OD2-NE 3.28Å; D265-R267 PolarHBondContact OD2-NE 3.44Å; D265-R267 IonicContact OD2-NH2 3.99Å; D265-R267 PolarHBondContact OD2-NH2 3.44Å; D265-S268 PolarHBondContact O-N 3.3Å | ||
| 266 | D | 93.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 50% | 0.503 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.8 | -178.5 | -73.1 | -25.5 | 0 | 0 | 0 | 113.3 | S268 L269 M270 | D266-S268 PolarHBondContact O-N 2.91Å; D266-L269 WeakPolarHBondContact O-CA 3.49Å; D266-L269 WeakPolarHBondContact O-CB 3.38Å; D266-L269 PolarHBondContact O-N 3.37Å; D266-M270 HydrophobicContact CB-CE 3.77Å; D266-M270 WeakPolarHBondContact O-CG 3.43Å; D266-M270 PolarHBondContact O-N 3.46Å |
| 267 | R | 96 | Very high | 95 | Very high | 24 Ų | 24 | 32.5 Ų | 32.5 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -35.8 | 178.4 | -72.1 | 177.2 | -67.4 | 154.8 | 0.9 | 112.5 | S179 T181 G182 S183 I261 D265 L269 M270 I271 | S179-R267 WeakPolarHBondContact O-CG 3.44Å; T181-R267 WeakPolarHBondContact O-CD 3.32Å; T181-R267 PolarHBondContact O-NH1 2.93Å; G182-R267 PolarHBondContact O-NH1 3.14Å; S183-R267 PolarHBondContact O-NH1 2.93Å; S183-R267 PolarHBondContact O-NH2 3.05Å; I261-R267 HydrophobicContact CD1-CB 4.2Å; I261-R267 HydrophobicContact CG2-CB 4.2Å; D265-R267 PolarHBondContact O-N 3.11Å; D265-R267 VanDerWaalsContact O-N 3.08Å; D265-R267 WeakPolarHBondContact OD1-CB 3.34Å; D265-R267 WeakPolarHBondContact OD1-CG 3.49Å; D265-R267 IonicContact OD1-CZ 3.71Å; D265-R267 PolarHBondContact OD1-N 3.48Å; D265-R267 IonicContact OD1-NE 2.67Å; D265-R267 PolarHBondContact OD1-NE 3.42Å; D265-R267 IonicContact OD2-CZ 2.68Å; D265-R267 IonicContact OD2-NE 3.28Å; D265-R267 PolarHBondContact OD2-NE 3.44Å; D265-R267 IonicContact OD2-NH2 3.99Å; D265-R267 PolarHBondContact OD2-NH2 3.44Å; R267-L269 VanDerWaalsContact C-N 3.27Å; R267-L269 PolarHBondContact O-N 3.49Å; R267-M270 PolarHBondContact O-N 3.05Å; R267-I271 HydrophobicContact CB-CD1 4.41Å; R267-I271 WeakPolarHBondContact O-CB 3.12Å; R267-I271 WeakPolarHBondContact O-CD1 3.34Å; R267-I271 WeakPolarHBondContact O-CG1 3.48Å; R267-I271 PolarHBondContact O-N 3.32Å |
| 268 | S | 96.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 175.6 | -69 | 0 | 0 | 0 | 0 | 111.4 | S241 I261 D265 D266 S272 | S241-S268 PolarHBondContact N-OG 3.41Å; I261-S268 WeakPolarHBondContact CB-OG 3.43Å; I261-S268 WeakPolarHBondContact CG2-OG 3.32Å; D265-S268 PolarHBondContact O-N 3.3Å; D266-S268 PolarHBondContact O-N 2.91Å; S268-S272 WeakPolarHBondContact O-CB 3.5Å; S268-S272 PolarHBondContact O-N 2.82Å; S268-S272 VanDerWaalsContact O-N 3.08Å |
| 269 | L | 93.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.5 | -41.8 | 176.8 | -178.4 | 62.6 | 0 | 0 | 0 | 111.8 | D266 R267 I271 S272 K273 | D266-L269 WeakPolarHBondContact O-CA 3.49Å; D266-L269 WeakPolarHBondContact O-CB 3.38Å; D266-L269 PolarHBondContact O-N 3.37Å; R267-L269 VanDerWaalsContact C-N 3.27Å; R267-L269 PolarHBondContact O-N 3.49Å; L269-I271 PolarHBondContact O-N 3.27Å; L269-S272 WeakPolarHBondContact O-CB 3.37Å; L269-S272 PolarHBondContact O-N 3.27Å; L269-K273 HydrophobicContact CD1-CG 4.39Å; L269-K273 WeakPolarHBondContact O-CB 3.33Å; L269-K273 WeakPolarHBondContact O-CG 3.23Å; L269-K273 PolarHBondContact O-N 3.22Å |
| 270 | M | 94.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 38.3 Ų | 38.3 | 29% | 0.286 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -46 | 178 | -64.9 | -177.9 | -172.5 | 0 | 0 | 111.5 | K174 D266 R267 K273 A274 | K174-M270 HydrophobicContact CD-SD 4.08Å; D266-M270 HydrophobicContact CB-CE 3.77Å; D266-M270 WeakPolarHBondContact O-CG 3.43Å; D266-M270 PolarHBondContact O-N 3.46Å; R267-M270 PolarHBondContact O-N 3.05Å; M270-K273 PolarHBondContact O-N 2.94Å; M270-A274 WeakPolarHBondContact O-CB 3.41Å; M270-A274 PolarHBondContact O-N 3.41Å |
| 271 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -43.1 | 177.4 | -62.9 | 165.5 | 0 | 0 | 0 | 110.3 | L176 F194 F204 F206 I261 R267 L269 K273 A274 L275 | L176-I271 HydrophobicContact CD1-CB 4.49Å; L176-I271 HydrophobicContact CD1-CG1 4.47Å; L176-I271 HydrophobicContact CD1-CG2 3.81Å; F194-I271 HydrophobicContact CZ-CD1 4.13Å; F204-I271 HydrophobicContact CD1-CG2 3.76Å; F204-I271 HydrophobicContact CE1-CD1 4.21Å; F204-I271 HydrophobicContact CE1-CG2 3.96Å; F206-I271 HydrophobicContact CE1-CG2 4.4Å; F206-I271 HydrophobicContact CZ-CG2 3.86Å; I261-I271 HydrophobicContact CD1-CD1 3.46Å; I261-I271 VanDerWaalsContact CD1-CD1 3.46Å; R267-I271 HydrophobicContact CB-CD1 4.41Å; R267-I271 WeakPolarHBondContact O-CB 3.12Å; R267-I271 WeakPolarHBondContact O-CD1 3.34Å; R267-I271 WeakPolarHBondContact O-CG1 3.48Å; R267-I271 PolarHBondContact O-N 3.32Å; L269-I271 PolarHBondContact O-N 3.27Å; I271-K273 VanDerWaalsContact C-N 3.26Å; I271-K273 PolarHBondContact O-N 3.04Å; I271-A274 PolarHBondContact O-N 2.94Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.43Å; I271-L275 WeakPolarHBondContact O-CB 3.44Å; I271-L275 PolarHBondContact O-N 3.5Å |
| 272 | S | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | F206 H242 S268 L269 C276 V277 | F206-S272 VanDerWaalsContact CE1-CA 3.41Å; H242-S272 PolarHBondContact NE2-OG 3.17Å; S268-S272 WeakPolarHBondContact O-CB 3.5Å; S268-S272 PolarHBondContact O-N 2.82Å; S268-S272 VanDerWaalsContact O-N 3.08Å; L269-S272 WeakPolarHBondContact O-CB 3.37Å; L269-S272 PolarHBondContact O-N 3.27Å; S272-C276 PolarHBondContact O-N 3.46Å; S272-C276 VanDerWaalsContact O-N 3.11Å; S272-V277 PolarHBondContact O-N 3.02Å |
| 273 | K | 93.2 | Very high | 94.3 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 19% | 0.191 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.3 | -44.8 | 176.7 | -70.5 | -78.1 | 165.8 | 161.7 | 0 | 112.7 | D155 E159 P173 L269 M270 I271 L275 C276 | D155-K273 PolarHBondContact O-NZ 3.43Å; E159-K273 WeakPolarHBondContact OE1-CD 3.34Å; E159-K273 WeakPolarHBondContact OE1-CE 3.37Å; E159-K273 IonicContact OE1-NZ 2.98Å; E159-K273 PolarHBondContact OE1-NZ 3.07Å; E159-K273 IonicContact OE2-NZ 3.77Å; E159-K273 PolarHBondContact OE2-NZ 3.06Å; P173-K273 HydrophobicContact CB-CB 4.28Å; P173-K273 HydrophobicContact CG-CB 4.3Å; L269-K273 HydrophobicContact CD1-CG 4.39Å; L269-K273 WeakPolarHBondContact O-CB 3.33Å; L269-K273 WeakPolarHBondContact O-CG 3.23Å; L269-K273 PolarHBondContact O-N 3.22Å; M270-K273 PolarHBondContact O-N 2.94Å; I271-K273 VanDerWaalsContact C-N 3.26Å; I271-K273 PolarHBondContact O-N 3.04Å; K273-L275 PolarHBondContact O-N 2.9Å; K273-C276 PolarHBondContact O-N 3.19Å |
| 274 | A | 93.5 | Very high | 94.4 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L176 M270 I271 | L176-A274 HydrophobicContact CB-CB 4.23Å; L176-A274 HydrophobicContact CD1-CB 4.23Å; M270-A274 WeakPolarHBondContact O-CB 3.41Å; M270-A274 PolarHBondContact O-N 3.41Å; I271-A274 PolarHBondContact O-N 2.94Å |
| 275 | L | 93.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.2 | 177 | -70.9 | 177.7 | 0 | 0 | 0 | 114.5 | L176 F204 F206 I271 K273 V277 L284 L286 R295 | L176-L275 HydrophobicContact CD1-CD1 4.37Å; L176-L275 HydrophobicContact CD1-CD2 4.33Å; L176-L275 HydrophobicContact CD1-CG 4.04Å; L176-L275 HydrophobicContact CD2-CD2 3.74Å; L176-L275 HydrophobicContact CD2-CG 4.36Å; F204-L275 HydrophobicContact CB-CD1 4.33Å; F204-L275 HydrophobicContact CG-CD1 4.46Å; F206-L275 HydrophobicContact CE2-CD1 4.03Å; F206-L275 HydrophobicContact CZ-CD1 3.95Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.43Å; I271-L275 WeakPolarHBondContact O-CB 3.44Å; I271-L275 PolarHBondContact O-N 3.5Å; K273-L275 PolarHBondContact O-N 2.9Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 HydrophobicContact CB-CG2 4.04Å; L275-V277 PolarHBondContact O-N 3.45Å; L275-L284 HydrophobicContact CB-CD2 4.04Å; L275-L284 HydrophobicContact CD1-CD2 4.25Å; L275-L284 HydrophobicContact CD2-CD2 4.29Å; L275-L284 HydrophobicContact CG-CD2 4.43Å; L275-L286 HydrophobicContact CD1-CD1 4.47Å; L275-L286 HydrophobicContact CD2-CD2 4.37Å; L275-R295 PolarHBondContact O-NH2 3.44Å |
| 276 | C | 91.5 | Very high | 94.5 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 43.8 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | Y4 I154 S272 K273 Q278 | Y4-C276 HydrophobicContact CE2-CB 4.48Å; I154-C276 HydrophobicContact CD1-CB 3.82Å; S272-C276 PolarHBondContact O-N 3.46Å; S272-C276 VanDerWaalsContact O-N 3.11Å; K273-C276 PolarHBondContact O-N 3.19Å; C276-Q278 PolarHBondContact O-N 3.37Å |
| 277 | V | 92.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 15% | 0.152 | 13% | 0.129 | C | C | . | . | trans | -73.8 | 117.3 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | F206 S272 L275 E279 L284 | F206-V277 HydrophobicContact CB-CG1 4.07Å; F206-V277 HydrophobicContact CD1-CG1 4.49Å; F206-V277 HydrophobicContact CD1-CG2 4.31Å; F206-V277 HydrophobicContact CD2-CG1 4.25Å; F206-V277 HydrophobicContact CD2-CG2 3.68Å; F206-V277 HydrophobicContact CE1-CG2 4.27Å; F206-V277 HydrophobicContact CE2-CG2 3.64Å; F206-V277 HydrophobicContact CG-CB 4.48Å; F206-V277 HydrophobicContact CG-CG1 4Å; F206-V277 HydrophobicContact CG-CG2 4.03Å; F206-V277 HydrophobicContact CZ-CG2 3.94Å; S272-V277 PolarHBondContact O-N 3.02Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 HydrophobicContact CB-CG2 4.04Å; L275-V277 PolarHBondContact O-N 3.45Å; V277-E279 WeakPolarHBondContact CG1-O 3.46Å; V277-L284 HydrophobicContact CG2-CD1 3.82Å | ||
| 278 | Q | 86.3 | Confident | 94.4 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | trans | -98.9 | -23.4 | -177.4 | -67.8 | -178.5 | -24.5 | 0 | 0 | 113.6 | H134 R136 C276 | H134-Q278 PolarHBondContact O-NE2 3.33Å; R136-Q278 VanDerWaalsContact CD-OE1 3.28Å; C276-Q278 PolarHBondContact O-N 3.37Å | ||
| 279 | E | 89.4 | Confident | 94.2 | Very high | 100 Ų | 100 | 31.3 Ų | 31.3 | 47% | 0.467 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -143 | 161 | -176.1 | 60.9 | 164.3 | -152.8 | 0 | 0 | 113.3 | V277 S282 K298 | V277-E279 WeakPolarHBondContact CG1-O 3.46Å; E279-S282 WeakPolarHBondContact O-CB 2.95Å; E279-S282 PolarHBondContact O-OG 3.27Å; E279-K298 IonicContact OE1-NZ 3.02Å |
| 280 | I | 95.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 16% | 0.164 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -126.3 | 144 | 172.9 | 64.5 | 170.8 | 0 | 0 | 0 | 110.8 | F206 A208 W210 C211 H242 | F206-I280 HydrophobicContact CB-CG2 3.98Å; A208-I280 HydrophobicContact CB-CD1 3.89Å; W210-I280 HydrophobicContact CH2-CD1 3.78Å; W210-I280 HydrophobicContact CZ2-CD1 3.8Å; C211-I280 HydrophobicContact CB-CD1 4.16Å; H242-I280 HydrophobicContact CB-CD1 3.98Å |
| 281 | P | 97.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | S | Bend | cis | -72 | 144.7 | -1.3 | 28.5 | -32.3 | 0 | 0 | 0 | 111.7 | F206 C214 F217 K298 | F206-P281 WeakPolarHBondContact O-CA 3.37Å; C214-P281 HydrophobicContact CB-CB 4.38Å; C214-P281 VanDerWaalsContact SG-N 3.45Å; F217-P281 HydrophobicContact CB-CB 4.21Å; F217-P281 HydrophobicContact CB-CG 3.81Å; F217-P281 HydrophobicContact CD1-CB 3.64Å; F217-P281 HydrophobicContact CD1-CG 4.08Å; F217-P281 HydrophobicContact CE1-CB 4.4Å; F217-P281 HydrophobicContact CG-CB 4.16Å; F217-P281 HydrophobicContact CG-CG 4.08Å; P281-K298 HydrophobicContact CG-CD 4.13Å; P281-K298 WeakPolarHBondContact O-CD 3.45Å; P281-K298 PolarHBondContact O-NZ 3.07Å |
| 282 | S | 97.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.4 | 167.7 | -75.4 | 0 | 0 | 0 | 0 | 109.4 | F206 E279 | F206-S282 PolarHBondContact N-O 3.28Å; F206-S282 PolarHBondContact O-N 3.46Å; E279-S282 WeakPolarHBondContact O-CB 2.95Å; E279-S282 PolarHBondContact O-OG 3.27Å |
| 283 | L | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113.5 | 172.8 | 176.8 | 69.6 | 0 | 0 | 0 | 107.7 | F204 L205 F217 L221 I285 G297 V301 W312 | F204-L283 WeakPolarHBondContact O-CA 3.47Å; L205-L283 HydrophobicContact CB-CD1 4.21Å; F217-L283 HydrophobicContact CE1-CB 4.02Å; F217-L283 HydrophobicContact CZ-CB 3.94Å; F217-L283 HydrophobicContact CZ-CD2 4.05Å; L221-L283 HydrophobicContact CD1-CD2 3.72Å; L221-L283 HydrophobicContact CD2-CD1 4.27Å; L221-L283 HydrophobicContact CD2-CD2 4.14Å; L283-I285 HydrophobicContact CD2-CD1 4.14Å; L283-I285 HydrophobicContact CG-CD1 4.02Å; L283-G297 VanDerWaalsContact O-CA 3.23Å; L283-G297 WeakPolarHBondContact O-CA 3.18Å; L283-G297 PolarHBondContact O-N 2.77Å; L283-V301 HydrophobicContact CD2-CG2 3.83Å; L283-W312 HydrophobicContact CD2-CZ3 4.49Å |
| 284 | L | 97.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.5 | 176.6 | -67.8 | 88.5 | 0 | 0 | 0 | 108.9 | G203 F204 F206 L275 V277 L286 L292 R295 | G203-L284 CarbonylContact C-O 3.54Å; G203-L284 WeakPolarHBondContact CA-O 3.23Å; F204-L284 PolarHBondContact N-O 2.88Å; F204-L284 PolarHBondContact O-N 2.95Å; F206-L284 HydrophobicContact CD2-CD1 3.86Å; F206-L284 HydrophobicContact CE2-CD1 3.8Å; L275-L284 HydrophobicContact CB-CD2 4.04Å; L275-L284 HydrophobicContact CD1-CD2 4.25Å; L275-L284 HydrophobicContact CD2-CD2 4.29Å; L275-L284 HydrophobicContact CG-CD2 4.43Å; V277-L284 HydrophobicContact CG2-CD1 3.82Å; L284-L286 HydrophobicContact CB-CD1 3.79Å; L284-L292 HydrophobicContact CB-CD1 4.07Å; L284-L292 HydrophobicContact CD2-CD1 3.85Å; L284-L292 HydrophobicContact CG-CD1 4.44Å; L284-R295 HydrophobicContact CD2-CB 4Å; L284-R295 HydrophobicContact CG-CB 4.27Å |
| 285 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.7 | -179.3 | -51 | -57.1 | 0 | 0 | 0 | 108.5 | V201 R202 L283 L293 N294 W312 | V201-I285 HydrophobicContact CG1-CG2 3.39Å; R202-I285 WeakPolarHBondContact O-CA 3.29Å; L283-I285 HydrophobicContact CD2-CD1 4.14Å; L283-I285 HydrophobicContact CG-CD1 4.02Å; I285-L293 HydrophobicContact CG2-CB 4.4Å; I285-L293 HydrophobicContact CG2-CD1 4.33Å; I285-L293 WeakPolarHBondContact O-CA 3.35Å; I285-L293 WeakPolarHBondContact O-CB 3.37Å; I285-L293 PolarHBondContact O-N 3.48Å; I285-N294 HydrophobicContact CB-CB 4.4Å; I285-N294 PolarHBondContact N-O 3.16Å; I285-N294 PolarHBondContact O-N 3.38Å; I285-W312 HydrophobicContact CD1-CE3 3.96Å; I285-W312 HydrophobicContact CD1-CZ3 3.99Å; I285-W312 HydrophobicContact CG1-CE3 3.98Å |
| 286 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.6 | -177.4 | -74.3 | 68.3 | 0 | 0 | 0 | 110.2 | L176 V201 R202 F204 L275 L284 F290 K291 L292 | L176-L286 HydrophobicContact CD2-CD2 3.74Å; V201-L286 CarbonylContact C-O 3.44Å; V201-L286 WeakPolarHBondContact CA-O 3.33Å; V201-L286 WeakPolarHBondContact CG1-O 3.46Å; R202-L286 PolarHBondContact N-O 3.22Å; R202-L286 PolarHBondContact O-N 3.16Å; F204-L286 HydrophobicContact CD2-CB 4.42Å; F204-L286 HydrophobicContact CD2-CD1 3.85Å; F204-L286 HydrophobicContact CD2-CD2 3.81Å; F204-L286 HydrophobicContact CD2-CG 4.25Å; F204-L286 HydrophobicContact CE2-CB 4.33Å; F204-L286 HydrophobicContact CE2-CD1 4.48Å; F204-L286 HydrophobicContact CE2-CD2 3.68Å; F204-L286 HydrophobicContact CE2-CG 4.39Å; F204-L286 HydrophobicContact CZ-CD2 4.39Å; L275-L286 HydrophobicContact CD1-CD1 4.47Å; L275-L286 HydrophobicContact CD2-CD2 4.37Å; L284-L286 HydrophobicContact CB-CD1 3.79Å; L286-F290 HydrophobicContact CD2-CB 4.15Å; L286-F290 WeakPolarHBondContact CD2-O 3.01Å; L286-K291 CarbonylContact C-O 3.59Å; L286-K291 WeakPolarHBondContact CA-O 3.48Å; L286-K291 WeakPolarHBondContact CB-O 3.15Å; L286-L292 HydrophobicContact CD1-CD1 4Å |
| 287 | D | 93.5 | Very high | 94 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | trans | -78 | -170.4 | 175 | 71 | 9.3 | 0 | 0 | 0 | 112.9 | D289 F290 K291 L293 | D287-D289 PolarHBondContact O-N 3.37Å; D287-D289 WeakPolarHBondContact OD1-CA 3.19Å; D287-D289 PolarHBondContact OD1-N 3.01Å; D287-F290 PolarHBondContact O-N 2.77Å; D287-F290 PolarHBondContact OD1-N 2.98Å; D287-F290 VanDerWaalsContact OD1-N 3.12Å; D287-K291 PolarHBondContact N-O 3.28Å; D287-K291 PolarHBondContact OD1-N 2.87Å; D287-K291 WeakPolarHBondContact OD2-CB 3.38Å; D287-L293 HydrophobicContact CB-CD1 4Å; D287-L293 HydrophobicContact CB-CD2 4.11Å; D287-L293 HydrophobicContact CB-CG 4.05Å | ||
| 288 | E | 92.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 35 Ų | 35 | 35% | 0.346 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.5 | -178.9 | 68.3 | 176.9 | -146.3 | 0 | 0 | 114.1 | K199 G200 R202 | K199-E288 VanDerWaalsContact CB-OE2 3.28Å; K199-E288 WeakPolarHBondContact CB-OE2 3.4Å; K199-E288 WeakPolarHBondContact CG-OE2 3.33Å; K199-E288 IonicContact NZ-OE1 2.88Å; K199-E288 PolarHBondContact NZ-OE1 3.25Å; K199-E288 IonicContact NZ-OE2 3.65Å; G200-E288 WeakPolarHBondContact O-CA 3.41Å; G200-E288 PolarHBondContact O-N 3.34Å; R202-E288 PolarHBondContact NH1-O 2.85Å |
| 289 | D | 91.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 33.8 Ų | 33.8 | 52% | 0.519 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.1 | 180 | -66.3 | -33.2 | 0 | 0 | 0 | 112.6 | D287 K291 | D287-D289 PolarHBondContact O-N 3.37Å; D287-D289 WeakPolarHBondContact OD1-CA 3.19Å; D287-D289 PolarHBondContact OD1-N 3.01Å; D289-K291 VanDerWaalsContact C-N 3.29Å; D289-K291 HydrophobicContact CB-CG 4.4Å; D289-K291 PolarHBondContact O-N 2.94Å |
| 290 | F | 93.1 | Very high | 95 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | trans | 63.7 | 25.6 | -173.6 | -49.5 | -70.9 | 0 | 0 | 0 | 114.4 | L176 L177 C180 F194 F204 L286 D287 | L176-F290 HydrophobicContact CD2-CB 4.18Å; L176-F290 WeakPolarHBondContact CD2-O 3.11Å; L176-F290 HydrophobicContact CG-CB 4.38Å; L177-F290 HydrophobicContact CD1-CD2 4.05Å; L177-F290 HydrophobicContact CD1-CE2 4.42Å; C180-F290 HydrophobicContact CB-CD1 4.4Å; C180-F290 HydrophobicContact CB-CD2 4.16Å; C180-F290 HydrophobicContact CB-CE1 4.29Å; C180-F290 HydrophobicContact CB-CE2 4.04Å; C180-F290 HydrophobicContact CB-CG 4.34Å; C180-F290 HydrophobicContact CB-CZ 4.12Å; F194-F290 AromaticContact CD1-CE1 3.96Å; F194-F290 HydrophobicContact CD1-CE1 3.96Å; F194-F290 AromaticContact CD1-CZ 3.76Å; F194-F290 HydrophobicContact CD1-CZ 3.76Å; F194-F290 HydrophobicContact CE1-CE1 4.3Å; F204-F290 AromaticContact CE2-CD1 3.96Å; F204-F290 HydrophobicContact CE2-CD1 3.96Å; F204-F290 HydrophobicContact CE2-CE1 4.35Å; F204-F290 AromaticContact CZ-CD1 3.74Å; F204-F290 HydrophobicContact CZ-CD1 3.74Å; F204-F290 AromaticContact CZ-CE1 3.94Å; F204-F290 HydrophobicContact CZ-CE1 3.94Å; L286-F290 HydrophobicContact CD2-CB 4.15Å; L286-F290 WeakPolarHBondContact CD2-O 3.01Å; D287-F290 PolarHBondContact O-N 2.77Å; D287-F290 PolarHBondContact OD1-N 2.98Å; D287-F290 VanDerWaalsContact OD1-N 3.12Å | ||
| 291 | K | 92.4 | Very high | 95 | Very high | 93 Ų | 93 | 27.9 Ų | 27.9 | 40% | 0.404 | 13% | 0.134 | S | C | . | . | trans | -80.7 | 141.2 | 168.7 | -58.9 | 175.2 | -176.1 | 158.8 | 0 | 109.9 | L286 D287 D289 L293 | L286-K291 CarbonylContact C-O 3.59Å; L286-K291 WeakPolarHBondContact CA-O 3.48Å; L286-K291 WeakPolarHBondContact CB-O 3.15Å; D287-K291 PolarHBondContact N-O 3.28Å; D287-K291 PolarHBondContact OD1-N 2.87Å; D287-K291 WeakPolarHBondContact OD2-CB 3.38Å; D289-K291 VanDerWaalsContact C-N 3.29Å; D289-K291 HydrophobicContact CB-CG 4.4Å; D289-K291 PolarHBondContact O-N 2.94Å; K291-L293 PolarHBondContact O-N 3.42Å | ||
| 292 | L | 92.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 20% | 0.199 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 114.8 | -179.8 | -179 | 64.3 | 0 | 0 | 0 | 110.6 | L284 L286 R295 Q369 | L284-L292 HydrophobicContact CB-CD1 4.07Å; L284-L292 HydrophobicContact CD2-CD1 3.85Å; L284-L292 HydrophobicContact CG-CD1 4.44Å; L286-L292 HydrophobicContact CD1-CD1 4Å; L292-R295 HydrophobicContact CD1-CB 4.29Å; L292-R295 HydrophobicContact CD2-CB 4.26Å; L292-Q369 WeakPolarHBondContact O-CA 3.49Å |
| 293 | L | 93.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -53.9 | 170.9 | -63.6 | 177.2 | 0 | 0 | 0 | 110.3 | V201 I285 D287 K291 P311 P314 | V201-L293 HydrophobicContact CG1-CD1 4.2Å; V201-L293 HydrophobicContact CG2-CD1 4.27Å; I285-L293 HydrophobicContact CG2-CB 4.4Å; I285-L293 HydrophobicContact CG2-CD1 4.33Å; I285-L293 WeakPolarHBondContact O-CA 3.35Å; I285-L293 WeakPolarHBondContact O-CB 3.37Å; I285-L293 PolarHBondContact O-N 3.48Å; D287-L293 HydrophobicContact CB-CD1 4Å; D287-L293 HydrophobicContact CB-CD2 4.11Å; D287-L293 HydrophobicContact CB-CG 4.05Å; K291-L293 PolarHBondContact O-N 3.42Å; L293-P311 HydrophobicContact CD1-CB 4.44Å; L293-P314 WeakPolarHBondContact O-CD 3.44Å; L293-P314 WeakPolarHBondContact O-CG 3.22Å |
| 294 | N | 93.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 125.5 | -178.4 | -169.9 | -12.9 | 0 | 0 | 0 | 111.7 | I285 H296 W312 P314 | I285-N294 HydrophobicContact CB-CB 4.4Å; I285-N294 PolarHBondContact N-O 3.16Å; I285-N294 PolarHBondContact O-N 3.38Å; N294-H296 PolarHBondContact OD1-N 3.27Å; N294-W312 WeakPolarHBondContact CB-O 3.34Å; N294-W312 PolarHBondContact ND2-O 2.84Å; N294-P314 HydrophobicContact CB-CG 3.97Å |
| 295 | R | 93.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 35 Ų | 35 | 19% | 0.185 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12 | 178.1 | 66.5 | -171.8 | -8.5 | -106.3 | -14.4 | 114.6 | L275 L284 L292 E371 | L275-R295 PolarHBondContact O-NH2 3.44Å; L284-R295 HydrophobicContact CD2-CB 4Å; L284-R295 HydrophobicContact CG-CB 4.27Å; L292-R295 HydrophobicContact CD1-CB 4.29Å; L292-R295 HydrophobicContact CD2-CB 4.26Å; R295-E371 WeakPolarHBondContact CD-OE1 3.01Å; R295-E371 IonicContact CZ-OE1 3.43Å; R295-E371 IonicContact CZ-OE2 2.63Å; R295-E371 IonicContact NE-OE1 3.95Å; R295-E371 IonicContact NE-OE2 2.99Å; R295-E371 IonicContact NH1-OE1 2.63Å; R295-E371 PolarHBondContact NH1-OE1 3.03Å; R295-E371 IonicContact NH1-OE2 2.89Å; R295-E371 PolarHBondContact NH1-OE2 3.12Å |
| 296 | H | 94.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 29 | -176.7 | -53.6 | -72.8 | 0 | 0 | 0 | 112.4 | N294 K298 L299 E300 R327 | N294-H296 PolarHBondContact OD1-N 3.27Å; H296-K298 PolarHBondContact O-N 2.63Å; H296-L299 HydrophobicContact CB-CB 4.22Å; H296-L299 WeakPolarHBondContact O-CA 3.4Å; H296-L299 WeakPolarHBondContact O-CB 3.15Å; H296-L299 PolarHBondContact O-N 2.8Å; H296-E300 PolarHBondContact O-N 2.89Å; H296-R327 PolarHBondContact CD2-NH1 2.94Å; H296-R327 PolarHBondContact CE1-NE 3.31Å; H296-R327 PolarHBondContact NE2-NH1 2.9Å; H296-R327 PolarHBondContact NE2-NH2 3.1Å; H296-R327 VanDerWaalsContact NE2-NH2 3.19Å |
| 297 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.6 | -28.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L283 E300 V301 | L283-G297 VanDerWaalsContact O-CA 3.23Å; L283-G297 WeakPolarHBondContact O-CA 3.18Å; L283-G297 PolarHBondContact O-N 2.77Å; G297-E300 PolarHBondContact O-N 2.99Å; G297-V301 VanDerWaalsContact O-CG2 3.22Å; G297-V301 WeakPolarHBondContact O-CG2 3.22Å; G297-V301 PolarHBondContact O-N 2.63Å |
| 298 | K | 96.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 170.6 | 171.4 | -179.2 | 167.4 | -165.6 | 0 | 112.2 | F217 E279 P281 H296 H302 | F217-K298 HydrophobicContact CD2-CG 4.02Å; F217-K298 HydrophobicContact CE1-CB 4.5Å; F217-K298 HydrophobicContact CE2-CB 3.99Å; F217-K298 HydrophobicContact CE2-CG 3.75Å; F217-K298 HydrophobicContact CZ-CB 3.88Å; F217-K298 HydrophobicContact CZ-CG 4.08Å; E279-K298 IonicContact OE1-NZ 3.02Å; P281-K298 HydrophobicContact CG-CD 4.13Å; P281-K298 WeakPolarHBondContact O-CD 3.45Å; P281-K298 PolarHBondContact O-NZ 3.07Å; H296-K298 PolarHBondContact O-N 2.63Å; K298-H302 PolarHBondContact O-ND1 3.02Å |
| 299 | L | 94.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 177.2 | 175.4 | 60.3 | 0 | 0 | 0 | 110.2 | H296 V301 H302 L303 R323 T324 R327 | H296-L299 HydrophobicContact CB-CB 4.22Å; H296-L299 WeakPolarHBondContact O-CA 3.4Å; H296-L299 WeakPolarHBondContact O-CB 3.15Å; H296-L299 PolarHBondContact O-N 2.8Å; L299-V301 VanDerWaalsContact C-N 3.35Å; L299-V301 PolarHBondContact O-N 3.02Å; L299-H302 WeakPolarHBondContact O-CA 3.48Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 2.65Å; L299-L303 HydrophobicContact CD1-CD1 4.13Å; L299-L303 HydrophobicContact CD1-CG 4.14Å; L299-L303 HydrophobicContact CD2-CD1 4.44Å; L299-L303 HydrophobicContact CG-CD1 3.87Å; L299-L303 HydrophobicContact CG-CG 4.29Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3.04Å; L299-R323 HydrophobicContact CD1-CB 4.23Å; L299-R323 WeakPolarHBondContact CD1-O 3.49Å; L299-T324 HydrophobicContact CD1-CG2 4.44Å; L299-T324 HydrophobicContact CD2-CG2 4.35Å; L299-R327 HydrophobicContact CD2-CG 4.28Å |
| 300 | E | 96.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | -179.4 | -59.9 | -61.3 | 144.4 | 0 | 0 | 112.6 | H296 G297 H302 L303 D304 W312 R315 | H296-E300 PolarHBondContact O-N 2.89Å; G297-E300 PolarHBondContact O-N 2.99Å; E300-H302 PolarHBondContact O-N 2.66Å; E300-L303 PolarHBondContact O-N 3.49Å; E300-L303 VanDerWaalsContact O-N 3.09Å; E300-D304 PolarHBondContact O-N 2.83Å; E300-W312 HydrophobicContact CB-CB 3.99Å; E300-W312 HydrophobicContact CB-CD2 3.5Å; E300-W312 HydrophobicContact CB-CE3 3.77Å; E300-W312 HydrophobicContact CB-CG 3.62Å; E300-W312 HydrophobicContact CB-CZ3 4.46Å; E300-W312 HydrophobicContact CG-CB 3.82Å; E300-W312 HydrophobicContact CG-CD2 4.33Å; E300-W312 HydrophobicContact CG-CG 4.01Å; E300-R315 IonicContact OE1-CZ 2.65Å; E300-R315 IonicContact OE1-NH1 3.58Å; E300-R315 PolarHBondContact OE1-NH1 2.69Å; E300-R315 IonicContact OE1-NH2 2.71Å; E300-R315 PolarHBondContact OE1-NH2 3.45Å; E300-R315 IonicContact OE2-CZ 2.66Å; E300-R315 IonicContact OE2-NH1 2.78Å; E300-R315 PolarHBondContact OE2-NH1 2.87Å; E300-R315 IonicContact OE2-NH2 3.49Å; E300-R315 PolarHBondContact OE2-NH2 3.09Å |
| 301 | V | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -31.6 | 171.5 | 168.1 | 0 | 0 | 0 | 0 | 112.5 | F217 R220 L221 L283 G297 L299 W312 | F217-V301 HydrophobicContact CE2-CB 3.94Å; F217-V301 HydrophobicContact CE2-CG1 3.88Å; F217-V301 HydrophobicContact CE2-CG2 4.32Å; F217-V301 HydrophobicContact CZ-CB 4.41Å; F217-V301 HydrophobicContact CZ-CG2 4.29Å; R220-V301 HydrophobicContact CB-CG1 4.35Å; L221-V301 HydrophobicContact CD1-CG2 3.77Å; L283-V301 HydrophobicContact CD2-CG2 3.83Å; G297-V301 VanDerWaalsContact O-CG2 3.22Å; G297-V301 WeakPolarHBondContact O-CG2 3.22Å; G297-V301 PolarHBondContact O-N 2.63Å; L299-V301 VanDerWaalsContact C-N 3.35Å; L299-V301 PolarHBondContact O-N 3.02Å; V301-W312 HydrophobicContact CB-CH2 4.48Å; V301-W312 HydrophobicContact CG2-CH2 3.47Å; V301-W312 VanDerWaalsContact CG2-CH2 3.47Å; V301-W312 HydrophobicContact CG2-CZ2 4.37Å; V301-W312 HydrophobicContact CG2-CZ3 3.79Å |
| 302 | H | 94.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -76.5 | -39.8 | 174.6 | -67.1 | 84 | 0 | 0 | 0 | 111.3 | F217 R220 K298 L299 E300 R323 | F217-H302 AromaticContact CD2-CE1 3.75Å; R220-H302 PolarHBondContact NE-NE2 2.87Å; K298-H302 PolarHBondContact O-ND1 3.02Å; L299-H302 WeakPolarHBondContact O-CA 3.48Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 2.65Å; E300-H302 PolarHBondContact O-N 2.66Å; H302-R323 PolarHBondContact O-NH1 2.97Å |
| 303 | L | 94.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.1 | -41.1 | -177.9 | -63.4 | 176.8 | 0 | 0 | 0 | 112.6 | L299 E300 R323 T324 | L299-L303 HydrophobicContact CD1-CD1 4.13Å; L299-L303 HydrophobicContact CD1-CG 4.14Å; L299-L303 HydrophobicContact CD2-CD1 4.44Å; L299-L303 HydrophobicContact CG-CD1 3.87Å; L299-L303 HydrophobicContact CG-CG 4.29Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3.04Å; E300-L303 PolarHBondContact O-N 3.49Å; E300-L303 VanDerWaalsContact O-N 3.09Å; L303-R323 HydrophobicContact CD2-CB 3.84Å; L303-R323 HydrophobicContact CD2-CG 4.49Å; L303-T324 HydrophobicContact CD1-CG2 3.89Å; L303-T324 HydrophobicContact CD2-CG2 4.14Å |
| 304 | D | 95.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | trans | -121.8 | 65.4 | -176.8 | 178 | 28.5 | 0 | 0 | 0 | 110.7 | E300 M306 G307 K308 E309 W312 | E300-D304 PolarHBondContact O-N 2.83Å; D304-M306 PolarHBondContact O-N 2.84Å; D304-G307 PolarHBondContact O-N 2.86Å; D304-G307 PolarHBondContact OD1-N 3.32Å; D304-G307 WeakPolarHBondContact OD2-CA 3.45Å; D304-G307 PolarHBondContact OD2-N 3.26Å; D304-K308 VanDerWaalsContact CG-N 3.28Å; D304-K308 PolarHBondContact OD1-N 3.21Å; D304-K308 PolarHBondContact OD2-N 3.37Å; D304-E309 PolarHBondContact OD2-N 3.34Å; D304-W312 PolarHBondContact OD2-NE1 2.93Å | ||
| 305 | A | 94.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T224 R227 | T224-A305 PolarHBondContact OG1-O 3.08Å; R227-A305 WeakPolarHBondContact CD-O 2.93Å; R227-A305 PolarHBondContact NH1-O 3.49Å |
| 306 | M | 94.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 49.1 Ų | 49.1 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.5 | 177.1 | -63.7 | -57.4 | -63 | 0 | 0 | 113.1 | R227 D304 K308 | R227-M306 PolarHBondContact NH1-SD 3.35Å; D304-M306 PolarHBondContact O-N 2.84Å; M306-K308 VanDerWaalsContact C-N 3.3Å; M306-K308 HydrophobicContact CB-CD 4.33Å; M306-K308 HydrophobicContact CB-CG 3.95Å |
| 307 | G | 94.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | 67.4 | 26.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D304 | D304-G307 PolarHBondContact O-N 2.86Å; D304-G307 PolarHBondContact OD1-N 3.32Å; D304-G307 WeakPolarHBondContact OD2-CA 3.45Å; D304-G307 PolarHBondContact OD2-N 3.26Å | ||
| 308 | K | 94.6 | Very high | 93.9 | Very high | 156 Ų | 156 | 49 Ų | 49 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -73.5 | -30.8 | -177.8 | -69.3 | -178 | 179.2 | -178.4 | 0 | 113 | D304 M306 | D304-K308 VanDerWaalsContact CG-N 3.28Å; D304-K308 PolarHBondContact OD1-N 3.21Å; D304-K308 PolarHBondContact OD2-N 3.37Å; M306-K308 VanDerWaalsContact C-N 3.3Å; M306-K308 HydrophobicContact CB-CD 4.33Å; M306-K308 HydrophobicContact CB-CG 3.95Å |
| 309 | E | 93.5 | Very high | 93.6 | Very high | 133 Ų | 133 | 50 Ų | 50 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -97.8 | 6.5 | -176.3 | -55.5 | -55.6 | 131.3 | 0 | 0 | 112 | D304 W312 | D304-E309 PolarHBondContact OD2-N 3.34Å; E309-W312 VanDerWaalsContact C-CD1 3.47Å; E309-W312 WeakPolarHBondContact O-CA 3.5Å; E309-W312 PolarHBondContact O-N 3.28Å |
| 310 | F | 95.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 49 Ų | 49 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 134.2 | 176.5 | -172.6 | -85.1 | 0 | 0 | 0 | 110.1 | V201 I228 F235 W312 | V201-F310 HydrophobicContact CB-CE1 3.83Å; V201-F310 HydrophobicContact CB-CZ 3.7Å; V201-F310 HydrophobicContact CG1-CE1 3.91Å; V201-F310 HydrophobicContact CG1-CE2 4.19Å; V201-F310 HydrophobicContact CG1-CZ 3.36Å; V201-F310 HydrophobicContact CG2-CE1 4.33Å; I228-F310 HydrophobicContact CD1-CB 4.16Å; I228-F310 HydrophobicContact CD1-CD2 3.55Å; I228-F310 HydrophobicContact CD1-CE2 4.15Å; I228-F310 HydrophobicContact CD1-CG 3.94Å; I228-F310 HydrophobicContact CG1-CB 4.16Å; I228-F310 HydrophobicContact CG1-CD2 4.34Å; I228-F310 HydrophobicContact CG1-CG 4.23Å; I228-F310 HydrophobicContact CG2-CB 4.48Å; I228-F310 HydrophobicContact CG2-CD1 3.91Å; I228-F310 HydrophobicContact CG2-CD2 4.34Å; I228-F310 HydrophobicContact CG2-CE1 4.15Å; I228-F310 HydrophobicContact CG2-CG 3.95Å; I228-F310 HydrophobicContact CG2-CZ 4.49Å; F235-F310 HydrophobicContact CB-CE1 4.01Å; F235-F310 HydrophobicContact CB-CZ 3.81Å; F235-F310 HydrophobicContact CD1-CE2 4.16Å; F235-F310 HydrophobicContact CD1-CZ 4.19Å; F235-F310 HydrophobicContact CD2-CE1 4.31Å; F235-F310 AromaticContact CD2-CE2 3.7Å; F235-F310 HydrophobicContact CD2-CE2 3.7Å; F235-F310 AromaticContact CD2-CZ 3.29Å; F235-F310 HydrophobicContact CD2-CZ 3.29Å; F235-F310 HydrophobicContact CE1-CE2 4.19Å; F235-F310 AromaticContact CE2-CE2 3.73Å; F235-F310 HydrophobicContact CE2-CE2 3.73Å; F235-F310 AromaticContact CE2-CZ 3.81Å; F235-F310 HydrophobicContact CE2-CZ 3.81Å; F235-F310 HydrophobicContact CG-CE1 4.21Å; F235-F310 AromaticContact CG-CE2 3.91Å; F235-F310 HydrophobicContact CG-CE2 3.91Å; F235-F310 AromaticContact CG-CZ 3.51Å; F235-F310 HydrophobicContact CG-CZ 3.51Å; F235-F310 AromaticContact CZ-CE2 3.99Å; F235-F310 HydrophobicContact CZ-CE2 3.99Å; F235-F310 HydrophobicContact CZ-CZ 4.43Å; F310-W312 HydrophobicContact CD2-CD2 4.03Å; F310-W312 AromaticContact CD2-CE3 3.98Å; F310-W312 HydrophobicContact CD2-CE3 3.98Å; F310-W312 HydrophobicContact CD2-CH2 4.26Å; F310-W312 HydrophobicContact CD2-CZ2 4.33Å; F310-W312 HydrophobicContact CD2-CZ3 4.1Å; F310-W312 HydrophobicContact CE2-CE3 4.39Å; F310-W312 HydrophobicContact CE2-CZ3 4.4Å |
| 311 | P | 94.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 27 | 21.7 | 38.6 | -38.9 | 0 | 0 | 0 | 116.6 | V201 L293 H313 | V201-P311 HydrophobicContact CB-CB 4.38Å; V201-P311 HydrophobicContact CG1-CB 3.94Å; V201-P311 HydrophobicContact CG2-CB 3.85Å; V201-P311 HydrophobicContact CG2-CG 4.5Å; L293-P311 HydrophobicContact CD1-CB 4.44Å; P311-H313 WeakPolarHBondContact CG-NE2 3.44Å; P311-H313 PolarHBondContact O-N 2.95Å |
| 312 | W | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | trans | 52.5 | 54.4 | 172.9 | -55.3 | -43.2 | 0 | 0 | 0 | 113 | T224 I228 L283 I285 N294 E300 V301 D304 E309 F310 | T224-W312 HydrophobicContact CG2-CH2 3.84Å; T224-W312 HydrophobicContact CG2-CZ2 3.81Å; I228-W312 HydrophobicContact CD1-CH2 3.88Å; I228-W312 HydrophobicContact CD1-CZ2 3.99Å; L283-W312 HydrophobicContact CD2-CZ3 4.49Å; I285-W312 HydrophobicContact CD1-CE3 3.96Å; I285-W312 HydrophobicContact CD1-CZ3 3.99Å; I285-W312 HydrophobicContact CG1-CE3 3.98Å; N294-W312 WeakPolarHBondContact CB-O 3.34Å; N294-W312 PolarHBondContact ND2-O 2.84Å; E300-W312 HydrophobicContact CB-CB 3.99Å; E300-W312 HydrophobicContact CB-CD2 3.5Å; E300-W312 HydrophobicContact CB-CE3 3.77Å; E300-W312 HydrophobicContact CB-CG 3.62Å; E300-W312 HydrophobicContact CB-CZ3 4.46Å; E300-W312 HydrophobicContact CG-CB 3.82Å; E300-W312 HydrophobicContact CG-CD2 4.33Å; E300-W312 HydrophobicContact CG-CG 4.01Å; V301-W312 HydrophobicContact CB-CH2 4.48Å; V301-W312 HydrophobicContact CG2-CH2 3.47Å; V301-W312 VanDerWaalsContact CG2-CH2 3.47Å; V301-W312 HydrophobicContact CG2-CZ2 4.37Å; V301-W312 HydrophobicContact CG2-CZ3 3.79Å; D304-W312 PolarHBondContact OD2-NE1 2.93Å; E309-W312 VanDerWaalsContact C-CD1 3.47Å; E309-W312 WeakPolarHBondContact O-CA 3.5Å; E309-W312 PolarHBondContact O-N 3.28Å; F310-W312 HydrophobicContact CD2-CD2 4.03Å; F310-W312 AromaticContact CD2-CE3 3.98Å; F310-W312 HydrophobicContact CD2-CE3 3.98Å; F310-W312 HydrophobicContact CD2-CH2 4.26Å; F310-W312 HydrophobicContact CD2-CZ2 4.33Å; F310-W312 HydrophobicContact CD2-CZ3 4.1Å; F310-W312 HydrophobicContact CE2-CE3 4.39Å; F310-W312 HydrophobicContact CE2-CZ3 4.4Å | ||
| 313 | H | 92.4 | Very high | 92.7 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 140 | 168.9 | -68 | -80.5 | 0 | 0 | 0 | 109.9 | P311 | P311-H313 WeakPolarHBondContact CG-NE2 3.44Å; P311-H313 PolarHBondContact O-N 2.95Å |
| 314 | P | 90.3 | Very high | 92.7 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 141.3 | 176.9 | -23.2 | 33.9 | 0 | 0 | 0 | 111.1 | L293 N294 F366 | L293-P314 WeakPolarHBondContact O-CD 3.44Å; L293-P314 WeakPolarHBondContact O-CG 3.22Å; N294-P314 HydrophobicContact CB-CG 3.97Å; P314-F366 HydrophobicContact CB-CE2 3.81Å; P314-F366 HydrophobicContact CB-CZ 3.97Å |
| 315 | R | 88.6 | Confident | 92.5 | Very high | 104 Ų | 104 | 55.9 Ų | 55.9 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 136.4 | 175.8 | -62.5 | 173.8 | -69.9 | -79.8 | -7.4 | 109.5 | E300 I317 | E300-R315 IonicContact OE1-CZ 2.65Å; E300-R315 IonicContact OE1-NH1 3.58Å; E300-R315 PolarHBondContact OE1-NH1 2.69Å; E300-R315 IonicContact OE1-NH2 2.71Å; E300-R315 PolarHBondContact OE1-NH2 3.45Å; E300-R315 IonicContact OE2-CZ 2.66Å; E300-R315 IonicContact OE2-NH1 2.78Å; E300-R315 PolarHBondContact OE2-NH1 2.87Å; E300-R315 IonicContact OE2-NH2 3.49Å; E300-R315 PolarHBondContact OE2-NH2 3.09Å; R315-I317 VanDerWaalsContact C-N 3.33Å; R315-I317 VanDerWaalsContact CB-O 3.3Å; R315-I317 WeakPolarHBondContact CB-O 3.4Å |
| 316 | S | 90.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -65.4 | -37.3 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 112 | A362 | S316-A362 WeakPolarHBondContact O-CB 3.45Š|
| 317 | I | 92 | Very high | 92.1 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.4 | 171.9 | 62 | 174.5 | 0 | 0 | 0 | 110.1 | R315 Q355 L358 L359 A362 F376 | R315-I317 VanDerWaalsContact C-N 3.33Å; R315-I317 VanDerWaalsContact CB-O 3.3Å; R315-I317 WeakPolarHBondContact CB-O 3.4Å; I317-Q355 HydrophobicContact CD1-CG 3.8Å; I317-L358 HydrophobicContact CG2-CB 3.99Å; I317-L359 HydrophobicContact CG1-CD1 4.44Å; I317-L359 HydrophobicContact CG2-CD1 4.33Å; I317-A362 HydrophobicContact CG2-CB 3.77Å; I317-F376 HydrophobicContact CG2-CB 4.19Å |
| 318 | I | 92 | Very high | 92 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.6 | -175.9 | -52.4 | 172.6 | 0 | 0 | 0 | 108.3 | L320 T324 F376 F377 Y378 | I318-L320 PolarHBondContact O-N 2.63Å; I318-T324 HydrophobicContact CG2-CG2 3.81Å; I318-F376 PolarHBondContact N-O 3.4Å; I318-F377 HydrophobicContact CB-CD1 3.79Å; I318-F377 HydrophobicContact CB-CE1 3.59Å; I318-F377 HydrophobicContact CB-CG 4.49Å; I318-F377 HydrophobicContact CB-CZ 4.17Å; I318-F377 HydrophobicContact CD1-CE1 4.45Å; I318-F377 HydrophobicContact CD1-CZ 4.17Å; I318-F377 HydrophobicContact CG2-CD1 3.95Å; I318-F377 HydrophobicContact CG2-CE1 3.36Å; I318-F377 HydrophobicContact CG2-CZ 4.06Å; I318-F377 WeakPolarHBondContact O-CA 3.38Å; I318-F377 VanDerWaalsContact O-CD1 3.26Å; I318-F377 WeakPolarHBondContact O-CD1 3.37Å; I318-Y378 WeakPolarHBondContact O-CD1 3.47Å; I318-Y378 PolarHBondContact O-N 2.94Å; I318-Y378 VanDerWaalsContact O-N 3.12Å |
| 319 | E | 91.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130 | 169.9 | -169.2 | -178.9 | 170.2 | 0 | 0 | 109.7 | T321 T324 Y378 | E319-T321 HydrophobicContact CB-CG2 4.35Å; E319-T321 HydrophobicContact CG-CG2 3.97Å; E319-T321 PolarHBondContact O-N 3.31Å; E319-T324 WeakPolarHBondContact O-CB 3.12Å; E319-T324 PolarHBondContact O-OG1 3.03Å; E319-Y378 VanDerWaalsContact CA-CE1 3.49Å; E319-Y378 HydrophobicContact CB-CE1 3.78Å; E319-Y378 HydrophobicContact CB-CE2 4.42Å; E319-Y378 HydrophobicContact CG-CE1 4.31Å; E319-Y378 HydrophobicContact CG-CE2 4.06Å |
| 320 | L | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -78.1 | 112.1 | 175.5 | -173.5 | 60.3 | 0 | 0 | 0 | 109 | I318 A325 L328 I335 F337 F377 Y378 A379 I384 I388 | I318-L320 PolarHBondContact O-N 2.63Å; L320-A325 HydrophobicContact CD1-CB 3.85Å; L320-L328 HydrophobicContact CD1-CD1 3.95Å; L320-L328 HydrophobicContact CD1-CG 4.39Å; L320-I335 HydrophobicContact CD2-CG2 3.93Å; L320-F337 HydrophobicContact CD2-CE1 4.25Å; L320-F377 HydrophobicContact CB-CB 4.42Å; L320-F377 HydrophobicContact CB-CD1 3.93Å; L320-F377 HydrophobicContact CD1-CD1 3.93Å; L320-F377 HydrophobicContact CD1-CE1 4.14Å; L320-F377 HydrophobicContact CD1-CG 4.42Å; L320-Y378 WeakPolarHBondContact CB-O 3.42Å; L320-Y378 PolarHBondContact N-O 2.82Å; L320-A379 HydrophobicContact CB-CB 4.3Å; L320-A379 HydrophobicContact CD2-CB 4.17Å; L320-I384 HydrophobicContact CG-CG1 4.35Å; L320-I384 VanDerWaalsContact O-CG2 3.3Å; L320-I384 WeakPolarHBondContact O-CG2 3.46Å; L320-I388 HydrophobicContact CD2-CB 4.41Å; L320-I388 HydrophobicContact CD2-CG1 4Å; L320-I388 HydrophobicContact CD2-CG2 4.29Å | ||
| 321 | T | 90.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | trans | -133.6 | 170 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 108.6 | E319 R323 T324 A325 | E319-T321 HydrophobicContact CB-CG2 4.35Å; E319-T321 HydrophobicContact CG-CG2 3.97Å; E319-T321 PolarHBondContact O-N 3.31Å; T321-R323 PolarHBondContact O-N 3.07Å; T321-R323 PolarHBondContact OG1-N 3.45Å; T321-T324 PolarHBondContact N-OG1 3.35Å; T321-T324 PolarHBondContact O-N 3.17Å; T321-T324 PolarHBondContact O-OG1 2.9Å; T321-T324 PolarHBondContact OG1-N 3.11Å; T321-T324 PolarHBondContact OG1-OG1 3.08Å; T321-T324 VanDerWaalsContact OG1-OG1 3.07Å; T321-A325 VanDerWaalsContact O-CB 3.23Å; T321-A325 WeakPolarHBondContact O-CB 3.4Å; T321-A325 PolarHBondContact O-N 3.35Å | ||
| 322 | E | 89.6 | Confident | 91.2 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.4 | 174 | -65.3 | -160.8 | 133.5 | 0 | 0 | 113.3 | I384 R387 | E322-I384 HydrophobicContact CG-CD1 4.08Å; E322-R387 IonicContact OE1-NH1 3.61Å; E322-R387 PolarHBondContact OE1-NH1 2.99Å |
| 323 | R | 90.9 | Very high | 91.3 | Very high | 146 Ų | 146 | 41 Ų | 41 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -41.7 | -178.1 | -65.1 | 176.4 | -178.9 | 175.9 | 2 | 111.9 | L299 H302 L303 T321 S326 | L299-R323 HydrophobicContact CD1-CB 4.23Å; L299-R323 WeakPolarHBondContact CD1-O 3.49Å; H302-R323 PolarHBondContact O-NH1 2.97Å; L303-R323 HydrophobicContact CD2-CB 3.84Å; L303-R323 HydrophobicContact CD2-CG 4.49Å; T321-R323 PolarHBondContact O-N 3.07Å; T321-R323 PolarHBondContact OG1-N 3.45Å; R323-S326 PolarHBondContact O-OG 3.15Å |
| 324 | T | 93.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -22.8 | -176.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | L299 L303 I318 E319 T321 S326 R327 | L299-T324 HydrophobicContact CD1-CG2 4.44Å; L299-T324 HydrophobicContact CD2-CG2 4.35Å; L303-T324 HydrophobicContact CD1-CG2 3.89Å; L303-T324 HydrophobicContact CD2-CG2 4.14Å; I318-T324 HydrophobicContact CG2-CG2 3.81Å; E319-T324 WeakPolarHBondContact O-CB 3.12Å; E319-T324 PolarHBondContact O-OG1 3.03Å; T321-T324 PolarHBondContact N-OG1 3.35Å; T321-T324 PolarHBondContact O-N 3.17Å; T321-T324 PolarHBondContact O-OG1 2.9Å; T321-T324 PolarHBondContact OG1-N 3.11Å; T321-T324 PolarHBondContact OG1-OG1 3.08Å; T321-T324 VanDerWaalsContact OG1-OG1 3.07Å; T324-S326 PolarHBondContact O-N 2.94Å; T324-R327 VanDerWaalsContact O-CB 3.27Å; T324-R327 WeakPolarHBondContact O-CB 3.17Å; T324-R327 VanDerWaalsContact O-CG 3.22Å; T324-R327 WeakPolarHBondContact O-CG 3.29Å; T324-R327 PolarHBondContact O-N 2.97Å |
| 325 | A | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -58.5 | -21.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L320 T321 R327 L328 I388 L452 | L320-A325 HydrophobicContact CD1-CB 3.85Å; T321-A325 VanDerWaalsContact O-CB 3.23Å; T321-A325 WeakPolarHBondContact O-CB 3.4Å; T321-A325 PolarHBondContact O-N 3.35Å; A325-R327 PolarHBondContact O-N 3.29Å; A325-R327 VanDerWaalsContact O-N 3.16Å; A325-L328 WeakPolarHBondContact O-CB 3.23Å; A325-L328 WeakPolarHBondContact O-CG 3.3Å; A325-L328 PolarHBondContact O-N 3.37Å; A325-L328 VanDerWaalsContact O-N 3.07Å; A325-I388 HydrophobicContact CB-CD1 4.23Å; A325-L452 HydrophobicContact CB-CD1 3.63Å |
| 326 | S | 88.7 | Confident | 92 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 24% | 0.238 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -54.6 | -30.2 | 171.9 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | R323 T324 L328 R329 | R323-S326 PolarHBondContact O-OG 3.15Å; T324-S326 PolarHBondContact O-N 2.94Å; S326-L328 VanDerWaalsContact C-N 3.28Å; S326-L328 PolarHBondContact O-N 3.43Å; S326-R329 PolarHBondContact O-N 3.43Å |
| 327 | R | 91.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 6% | 0.064 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -64.6 | -26.2 | 177.5 | -61.7 | -69.2 | -57 | -86.5 | 1.2 | 113.6 | H296 L299 T324 A325 R329 D330 D331 I375 F377 | H296-R327 PolarHBondContact CD2-NH1 2.94Å; H296-R327 PolarHBondContact CE1-NE 3.31Å; H296-R327 PolarHBondContact NE2-NH1 2.9Å; H296-R327 PolarHBondContact NE2-NH2 3.1Å; H296-R327 VanDerWaalsContact NE2-NH2 3.19Å; L299-R327 HydrophobicContact CD2-CG 4.28Å; T324-R327 VanDerWaalsContact O-CB 3.27Å; T324-R327 WeakPolarHBondContact O-CB 3.17Å; T324-R327 VanDerWaalsContact O-CG 3.22Å; T324-R327 WeakPolarHBondContact O-CG 3.29Å; T324-R327 PolarHBondContact O-N 2.97Å; A325-R327 PolarHBondContact O-N 3.29Å; A325-R327 VanDerWaalsContact O-N 3.16Å; R327-R329 PolarHBondContact O-N 2.91Å; R327-R329 VanDerWaalsContact O-N 3.14Å; R327-D330 PolarHBondContact O-N 3.15Å; R327-D331 IonicContact CZ-OD2 3.39Å; R327-D331 IonicContact NE-OD2 3.13Å; R327-D331 PolarHBondContact NE-OD2 3.47Å; R327-D331 IonicContact NH2-OD1 2.62Å; R327-D331 IonicContact NH2-OD2 3.49Å; R327-D331 PolarHBondContact NH2-OD2 3.33Å; R327-D331 PolarHBondContact O-N 3.46Å; R327-I375 HydrophobicContact CB-CD1 3.84Å; R327-F377 HydrophobicContact CB-CE2 4.15Å; R327-F377 HydrophobicContact CB-CZ 3.78Å; R327-F377 HydrophobicContact CG-CZ 4.19Å |
| 328 | L | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -65.3 | -16.6 | 179.1 | -57.7 | -177.6 | 0 | 0 | 0 | 113.1 | L320 A325 S326 A333 I335 F377 I388 F392 | L320-L328 HydrophobicContact CD1-CD1 3.95Å; L320-L328 HydrophobicContact CD1-CG 4.39Å; A325-L328 WeakPolarHBondContact O-CB 3.23Å; A325-L328 WeakPolarHBondContact O-CG 3.3Å; A325-L328 PolarHBondContact O-N 3.37Å; A325-L328 VanDerWaalsContact O-N 3.07Å; S326-L328 VanDerWaalsContact C-N 3.28Å; S326-L328 PolarHBondContact O-N 3.43Å; L328-A333 HydrophobicContact CD2-CB 3.42Å; L328-A333 VanDerWaalsContact CD2-CB 3.42Å; L328-I335 HydrophobicContact CD1-CD1 3.82Å; L328-I335 HydrophobicContact CD2-CD1 3.6Å; L328-I335 HydrophobicContact CD2-CG1 4.14Å; L328-I335 HydrophobicContact CG-CD1 4.37Å; L328-F377 HydrophobicContact CD2-CD2 3.82Å; L328-F377 HydrophobicContact CD2-CE2 3.74Å; L328-I388 HydrophobicContact CD1-CD1 4.21Å; L328-I388 HydrophobicContact CD1-CG2 4.35Å; L328-F392 HydrophobicContact CD1-CZ 4.13Å |
| 329 | R | 85.9 | Confident | 90.3 | Very high | 77 Ų | 77 | 30.8 Ų | 30.8 | 29% | 0.291 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -87.1 | -19.5 | 173.2 | -65 | -169.4 | -62.7 | -134.5 | -4.8 | 113.5 | S326 R327 P407 F447 F450 L452 | S326-R329 PolarHBondContact O-N 3.43Å; R327-R329 PolarHBondContact O-N 2.91Å; R327-R329 VanDerWaalsContact O-N 3.14Å; R329-P407 VanDerWaalsContact O-CB 3.22Å; R329-P407 WeakPolarHBondContact O-CB 3.44Å; R329-F447 HydrophobicContact CG-CE1 4.21Å; R329-F447 HydrophobicContact CG-CZ 4.24Å; R329-F450 PolarHBondContact NH1-O 3.47Å; R329-L452 PolarHBondContact NH1-O 2.98Å; R329-L452 PolarHBondContact NH2-O 3.07Å |
| 330 | D | 88 | Confident | 88.7 | Confident | 33 Ų | 33 | 28.9 Ų | 28.9 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -32.4 | -168.9 | -70.2 | -26.1 | 0 | 0 | 0 | 111.7 | H134 R136 R327 F408 | H134-D330 PolarHBondContact CE1-O 2.92Å; H134-D330 PolarHBondContact NE2-O 2.72Å; R136-D330 VanDerWaalsContact NH1-CB 3.3Å; R136-D330 IonicContact NH1-OD1 3.91Å; R136-D330 PolarHBondContact NH1-OD1 2.8Å; R136-D330 IonicContact NH1-OD2 2.76Å; R136-D330 PolarHBondContact NH1-OD2 2.82Å; R327-D330 PolarHBondContact O-N 3.15Å; D330-F408 WeakPolarHBondContact O-CZ 3.47Å |
| 331 | D | 92.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -125.9 | 150.6 | -170.4 | -60.3 | -72.1 | 0 | 0 | 0 | 111.7 | H134 R327 A333 I375 P407 | H134-D331 IonicContact CE1-OD1 3.14Å; H134-D331 PolarHBondContact CE1-OD1 2.89Å; H134-D331 VanDerWaalsContact CE1-OD1 3.28Å; H134-D331 IonicContact NE2-OD1 2.89Å; R327-D331 IonicContact CZ-OD2 3.39Å; R327-D331 IonicContact NE-OD2 3.13Å; R327-D331 PolarHBondContact NE-OD2 3.47Å; R327-D331 IonicContact NH2-OD1 2.62Å; R327-D331 IonicContact NH2-OD2 3.49Å; R327-D331 PolarHBondContact NH2-OD2 3.33Å; R327-D331 PolarHBondContact O-N 3.46Å; D331-A333 PolarHBondContact O-N 2.93Å; D331-I375 HydrophobicContact CB-CD1 3.41Å; D331-I375 VanDerWaalsContact CB-CD1 3.41Å; D331-I375 HydrophobicContact CB-CG1 3.82Å; D331-P407 VanDerWaalsContact O-CD 3.24Å; D331-P407 WeakPolarHBondContact O-CD 3.35Å |
| 332 | V | 95.2 | Very high | 84.8 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | trans | -67.8 | 121.5 | 164.9 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | R131 I374 I375 I404 S405 F408 F432 | R131-V332 HydrophobicContact CG-CG2 4.38Å; V332-I374 HydrophobicContact CG1-CG1 4.22Å; V332-I374 WeakPolarHBondContact O-CA 3.3Å; V332-I375 WeakPolarHBondContact O-CG1 3.33Å; V332-I375 PolarHBondContact O-N 3.13Å; V332-I404 HydrophobicContact CG1-CG2 3.75Å; V332-S405 WeakPolarHBondContact CA-O 3.39Å; V332-F408 HydrophobicContact CG2-CD2 3.76Å; V332-F408 HydrophobicContact CG2-CE2 3.91Å; V332-F432 HydrophobicContact CG1-CE1 3.81Å; V332-F432 HydrophobicContact CG1-CZ 3.73Å | ||
| 333 | A | 96.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.9 | -172 | 0 | 0 | 0 | 0 | 0 | 111.4 | L328 D331 I335 I375 F377 I404 S405 | L328-A333 HydrophobicContact CD2-CB 3.42Å; L328-A333 VanDerWaalsContact CD2-CB 3.42Å; D331-A333 PolarHBondContact O-N 2.93Å; A333-I335 HydrophobicContact CB-CG1 4.32Å; A333-I375 CarbonylContact C-O 3.55Å; A333-I375 WeakPolarHBondContact CA-O 3.21Å; A333-I375 HydrophobicContact CB-CD1 4.41Å; A333-I375 HydrophobicContact CB-CG1 3.88Å; A333-F377 HydrophobicContact CB-CD2 3.96Å; A333-F377 HydrophobicContact CB-CE2 4.19Å; A333-I404 CarbonylContact O-C 3.53Å; A333-I404 VanDerWaalsContact O-CA 3.25Å; A333-I404 WeakPolarHBondContact O-CA 3.46Å; A333-S405 PolarHBondContact N-O 3.26Å; A333-S405 PolarHBondContact O-N 3.24Å |
| 334 | V | 96.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.1 | 161.1 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | L358 I374 I375 F376 F377 V402 C403 I404 L429 | V334-L358 HydrophobicContact CG1-CD2 4.35Å; V334-I374 HydrophobicContact CG2-CG2 3.65Å; V334-I375 PolarHBondContact N-O 2.81Å; V334-F376 HydrophobicContact CB-CD1 3.74Å; V334-F376 HydrophobicContact CB-CE1 3.94Å; V334-F376 HydrophobicContact CB-CG 4.44Å; V334-F376 HydrophobicContact CG1-CD1 4.03Å; V334-F376 HydrophobicContact CG1-CE1 4.24Å; V334-F376 HydrophobicContact CG2-CD1 4.13Å; V334-F376 HydrophobicContact CG2-CE1 3.8Å; V334-F376 HydrophobicContact CG2-CZ 4.31Å; V334-F376 CarbonylContact O-C 3.58Å; V334-F376 WeakPolarHBondContact O-CA 3.5Å; V334-F377 PolarHBondContact O-N 2.61Å; V334-V402 HydrophobicContact CG1-CG1 4.01Å; V334-C403 CarbonylContact C-O 3.46Å; V334-C403 WeakPolarHBondContact CA-O 3.44Å; V334-I404 HydrophobicContact CG2-CG1 3.89Å; V334-L429 HydrophobicContact CG2-CD2 3.64Å; V334-L429 HydrophobicContact CG2-CG 4.44Å |
| 335 | I | 95.3 | Very high | 79 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.4 | -179.9 | -44.3 | 178 | 0 | 0 | 0 | 108.8 | L320 L328 A333 F337 F377 F392 V402 C403 | L320-I335 HydrophobicContact CD2-CG2 3.93Å; L328-I335 HydrophobicContact CD1-CD1 3.82Å; L328-I335 HydrophobicContact CD2-CD1 3.6Å; L328-I335 HydrophobicContact CD2-CG1 4.14Å; L328-I335 HydrophobicContact CG-CD1 4.37Å; A333-I335 HydrophobicContact CB-CG1 4.32Å; I335-F337 HydrophobicContact CB-CD2 4.46Å; I335-F337 HydrophobicContact CB-CE2 3.82Å; I335-F337 HydrophobicContact CB-CZ 4.11Å; I335-F337 HydrophobicContact CD1-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 4.35Å; I335-F337 HydrophobicContact CG2-CD2 4.06Å; I335-F337 HydrophobicContact CG2-CE1 3.92Å; I335-F337 HydrophobicContact CG2-CE2 3.56Å; I335-F337 HydrophobicContact CG2-CG 4.44Å; I335-F337 HydrophobicContact CG2-CZ 3.5Å; I335-F377 WeakPolarHBondContact CA-O 3.4Å; I335-F377 HydrophobicContact CB-CB 4.37Å; I335-F377 HydrophobicContact CG1-CB 4.23Å; I335-F377 HydrophobicContact CG2-CB 4.06Å; I335-F392 HydrophobicContact CD1-CE2 3.73Å; I335-F392 HydrophobicContact CD1-CZ 4.12Å; I335-V402 WeakPolarHBondContact O-CA 3.42Å; I335-C403 PolarHBondContact N-O 3.07Å; I335-C403 PolarHBondContact O-N 3.41Å |
| 336 | L | 92.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.7 | 168.3 | 173 | 63.1 | 0 | 0 | 0 | 109.4 | N338 F353 A354 L358 F377 Y378 A379 V402 V420 | L336-N338 WeakPolarHBondContact CD1-OD1 3.32Å; L336-N338 VanDerWaalsContact CG-OD1 3.23Å; L336-N338 WeakPolarHBondContact CG-OD1 3.39Å; L336-F353 HydrophobicContact CD1-CE1 4.25Å; L336-F353 HydrophobicContact CD2-CD1 3.92Å; L336-F353 HydrophobicContact CD2-CE1 3.77Å; L336-F353 HydrophobicContact CG-CE1 4.46Å; L336-A354 HydrophobicContact CD2-CB 4.46Å; L336-L358 HydrophobicContact CB-CD1 3.6Å; L336-L358 HydrophobicContact CB-CD2 4.41Å; L336-L358 HydrophobicContact CB-CG 4.24Å; L336-L358 HydrophobicContact CD2-CD1 3.84Å; L336-L358 HydrophobicContact CD2-CG 3.94Å; L336-L358 HydrophobicContact CG-CD1 4.41Å; L336-F377 PolarHBondContact N-O 3.44Å; L336-Y378 CarbonylContact O-C 3.53Å; L336-Y378 WeakPolarHBondContact O-CA 3.4Å; L336-A379 PolarHBondContact O-N 3.01Å; L336-V402 HydrophobicContact CD1-CG2 3.65Å; L336-V420 HydrophobicContact CD1-CG1 4.14Å; L336-V420 HydrophobicContact CD1-CG2 4.46Å |
| 337 | F | 90.1 | Very high | 75.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.1 | 169.3 | -57.8 | -86.1 | 0 | 0 | 0 | 108.4 | L320 I335 A379 N385 I388 L389 L399 P400 L401 | L320-F337 HydrophobicContact CD2-CE1 4.25Å; I335-F337 HydrophobicContact CB-CD2 4.46Å; I335-F337 HydrophobicContact CB-CE2 3.82Å; I335-F337 HydrophobicContact CB-CZ 4.11Å; I335-F337 HydrophobicContact CD1-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 4.35Å; I335-F337 HydrophobicContact CG2-CD2 4.06Å; I335-F337 HydrophobicContact CG2-CE1 3.92Å; I335-F337 HydrophobicContact CG2-CE2 3.56Å; I335-F337 HydrophobicContact CG2-CG 4.44Å; I335-F337 HydrophobicContact CG2-CZ 3.5Å; F337-A379 HydrophobicContact CD1-CB 3.78Å; F337-A379 HydrophobicContact CE1-CB 4.3Å; F337-N385 WeakPolarHBondContact CD1-OD1 3.49Å; F337-I388 HydrophobicContact CE1-CB 4.1Å; F337-I388 HydrophobicContact CE1-CG2 3.86Å; F337-I388 HydrophobicContact CZ-CB 4.44Å; F337-I388 HydrophobicContact CZ-CG2 3.7Å; F337-L389 HydrophobicContact CD1-CD2 4.06Å; F337-L389 HydrophobicContact CD1-CG 4.09Å; F337-L389 HydrophobicContact CD2-CD2 3.99Å; F337-L389 HydrophobicContact CE1-CD2 4.1Å; F337-L389 HydrophobicContact CE1-CG 4.13Å; F337-L389 HydrophobicContact CE2-CD2 4.05Å; F337-L389 HydrophobicContact CG-CD2 3.98Å; F337-L389 HydrophobicContact CG-CG 4.43Å; F337-L389 HydrophobicContact CZ-CD2 4.09Å; F337-L399 HydrophobicContact CB-CD2 3.56Å; F337-P400 CarbonylContact O-C 3.53Å; F337-P400 WeakPolarHBondContact O-CA 3.25Å; F337-P400 WeakPolarHBondContact O-CB 3.39Å; F337-L401 HydrophobicContact CB-CB 4.26Å; F337-L401 HydrophobicContact CD2-CB 4.37Å; F337-L401 HydrophobicContact CD2-CD2 4.32Å; F337-L401 HydrophobicContact CD2-CG 4.48Å; F337-L401 PolarHBondContact N-O 2.92Å; F337-L401 PolarHBondContact O-N 2.84Å |
| 338 | N | 79 | Confident | 74 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | trans | -96.7 | 153.2 | -179.1 | -76.4 | -11 | 0 | 0 | 0 | 111.9 | L336 L340 F353 N385 | L336-N338 WeakPolarHBondContact CD1-OD1 3.32Å; L336-N338 VanDerWaalsContact CG-OD1 3.23Å; L336-N338 WeakPolarHBondContact CG-OD1 3.39Å; N338-L340 PolarHBondContact O-N 3.13Å; N338-F353 VanDerWaalsContact ND2-CD1 3.34Å; N338-F353 WeakPolarHBondContact ND2-CD1 3.17Å; N338-F353 WeakPolarHBondContact OD1-CD1 3.34Å; N338-F353 VanDerWaalsContact OD1-CE1 3.26Å; N338-F353 WeakPolarHBondContact OD1-CE1 3.02Å; N338-N385 PolarHBondContact O-ND2 3.37Å | ||
| 339 | L | 69.8 | Low | 72.7 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 52% | 0.518 | 32% | 0.323 | S | S | . | . | trans | -66.1 | 112.9 | 158.4 | -97.3 | 156.6 | 0 | 0 | 0 | 107.7 | Q341 L399 | L339-Q341 PolarHBondContact O-N 2.87Å; L339-L399 WeakPolarHBondContact CD1-O 3.23Å; L339-L399 HydrophobicContact CD2-CB 4.46Å; L339-L399 HydrophobicContact CG-CB 3.76Å | ||
| 340 | L | 58.1 | Low | 71.5 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | trans | -68.8 | 85.7 | 160.3 | -81.8 | 158.8 | 0 | 0 | 0 | 107.4 | N338 E382 | N338-L340 PolarHBondContact O-N 3.13Å; L340-E382 VanDerWaalsContact CD1-CA 3.49Å; L340-E382 HydrophobicContact CD1-CB 3.46Å; L340-E382 VanDerWaalsContact CD1-CB 3.46Å; L340-E382 HydrophobicContact CD1-CG 3.92Å | ||
| 341 | Q | 52.4 | Low | 70.6 | Confident | 137 Ų | 137 | 64 Ų | 64 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | trans | -68.7 | 136.8 | 161.6 | -119.3 | 171.1 | 8.2 | 0 | 0 | 106.9 | L339 F343 | L339-Q341 PolarHBondContact O-N 2.87Å; Q341-F343 HydrophobicContact CB-CD2 4.32Å; Q341-F343 HydrophobicContact CB-CE2 4.34Å; Q341-F343 WeakPolarHBondContact O-CD2 3.28Å; Q341-F343 PolarHBondContact O-N 3.08Å | ||
| 342 | Y | 48.3 | Very low | 69.7 | Low | 241 Ų | 241 | 66.4 Ų | 66.4 | 95% | 0.945 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -39.9 | 50.3 | -175 | -67.2 | -83.4 | 0 | 0 | 0 | 118.7 | ||
| 343 | F | 49.5 | Very low | 68.7 | Low | 107 Ų | 107 | 69.1 Ų | 69.1 | 47% | 0.469 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -103.1 | 146.7 | 163.9 | -60.6 | -71.9 | 0 | 0 | 0 | 106 | Q341 E345 E349 | Q341-F343 HydrophobicContact CB-CD2 4.32Å; Q341-F343 HydrophobicContact CB-CE2 4.34Å; Q341-F343 WeakPolarHBondContact O-CD2 3.28Å; Q341-F343 PolarHBondContact O-N 3.08Å; F343-E345 PolarHBondContact O-N 2.96Å; F343-E349 WeakPolarHBondContact CE2-OE2 3.49Å |
| 344 | L | 50.3 | Low | 67.7 | Low | 160 Ų | 160 | 69.1 Ų | 69.1 | 84% | 0.838 | 35% | 0.348 | S | S | * | . | trans | -51 | 130.4 | -179.2 | -68 | 162.8 | 0 | 0 | 0 | 109.3 | G346 S347 | L344-G346 PolarHBondContact O-N 3.39Å; L344-S347 WeakPolarHBondContact O-CB 3.36Å; L344-S347 PolarHBondContact O-N 3.2Å; L344-S347 VanDerWaalsContact O-N 3.1Å | ||
| 345 | E | 52.3 | Low | 66.9 | Low | 125 Ų | 125 | 72.9 Ų | 72.9 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.3 | 129.9 | 177.6 | -70 | 178.1 | 135.9 | 0 | 0 | 111.1 | F343 | F343-E345 PolarHBondContact O-N 2.96Š|
| 346 | G | 53.2 | Low | 66.3 | Low | 57 Ų | 57 | 77.5 Ų | 77.5 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 30.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L344 | L344-G346 PolarHBondContact O-N 3.39Š|
| 347 | S | 56.5 | Low | 65.9 | Low | 25 Ų | 25 | 80.4 Ų | 80.4 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | trans | -63.7 | 155.3 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | L344 E349 D350 | L344-S347 WeakPolarHBondContact O-CB 3.36Å; L344-S347 PolarHBondContact O-N 3.2Å; L344-S347 VanDerWaalsContact O-N 3.1Å; S347-E349 PolarHBondContact O-N 3.3Å; S347-E349 VanDerWaalsContact O-N 3.1Å; S347-E349 PolarHBondContact OG-N 2.86Å; S347-D350 PolarHBondContact O-N 3.46Å; S347-D350 PolarHBondContact OG-N 3.19Å; S347-D350 PolarHBondContact OG-OD2 2.89Å; S347-D350 VanDerWaalsContact OG-OD2 3.08Å | ||
| 348 | I | 59.4 | Low | 65.9 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 73% | 0.728 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.5 | -27.2 | 172.5 | -67.4 | 170.9 | 0 | 0 | 0 | 111 | T352 | I348-T352 VanDerWaalsContact O-CB 3.3Å; I348-T352 WeakPolarHBondContact O-CB 3.5Å; I348-T352 PolarHBondContact O-N 2.92Å; I348-T352 PolarHBondContact O-OG1 2.94Å |
| 349 | E | 64.8 | Low | 66.4 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71 | -39.1 | -176.7 | -61.2 | -176.7 | -178.5 | 0 | 0 | 112.9 | F343 S347 T352 F353 | F343-E349 WeakPolarHBondContact CE2-OE2 3.49Å; S347-E349 PolarHBondContact O-N 3.3Å; S347-E349 VanDerWaalsContact O-N 3.1Å; S347-E349 PolarHBondContact OG-N 2.86Å; E349-T352 WeakPolarHBondContact O-CB 3.22Å; E349-T352 PolarHBondContact O-N 2.75Å; E349-F353 PolarHBondContact O-N 2.83Å |
| 350 | D | 62 | Low | 67.5 | Low | 17 Ų | 17 | 79.6 Ų | 79.6 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 178.4 | -66.1 | -54.8 | 0 | 0 | 0 | 111.8 | S347 T352 F353 A354 | S347-D350 PolarHBondContact O-N 3.46Å; S347-D350 PolarHBondContact OG-N 3.19Å; S347-D350 PolarHBondContact OG-OD2 2.89Å; S347-D350 VanDerWaalsContact OG-OD2 3.08Å; D350-T352 VanDerWaalsContact C-N 3.29Å; D350-T352 PolarHBondContact O-N 3.27Å; D350-F353 PolarHBondContact O-N 3.09Å; D350-A354 PolarHBondContact O-N 2.93Å |
| 351 | L | 67.6 | Low | 69.2 | Low | 64 Ų | 64 | 77.6 Ų | 77.6 | 34% | 0.335 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 173.1 | 179.3 | 65.3 | 0 | 0 | 0 | 110.3 | F353 A354 Q355 Y378 | L351-F353 VanDerWaalsContact C-N 3.35Å; L351-F353 PolarHBondContact O-N 3.45Å; L351-A354 PolarHBondContact O-N 3.32Å; L351-Q355 HydrophobicContact CD1-CG 4.14Å; L351-Q355 HydrophobicContact CG-CG 4.25Å; L351-Q355 VanDerWaalsContact O-CB 3.22Å; L351-Q355 WeakPolarHBondContact O-CB 3.41Å; L351-Q355 WeakPolarHBondContact O-CG 3.4Å; L351-Q355 PolarHBondContact O-N 3.18Å; L351-Y378 HydrophobicContact CD1-CE1 4.37Å; L351-Y378 HydrophobicContact CD1-CE2 4.4Å; L351-Y378 WeakPolarHBondContact CD1-OH 3.31Å |
| 352 | T | 73.3 | Confident | 71.2 | Confident | 55 Ų | 55 | 71.2 Ų | 71.2 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | I348 E349 D350 Q355 N356 | I348-T352 VanDerWaalsContact O-CB 3.3Å; I348-T352 WeakPolarHBondContact O-CB 3.5Å; I348-T352 PolarHBondContact O-N 2.92Å; I348-T352 PolarHBondContact O-OG1 2.94Å; E349-T352 WeakPolarHBondContact O-CB 3.22Å; E349-T352 PolarHBondContact O-N 2.75Å; D350-T352 VanDerWaalsContact C-N 3.29Å; D350-T352 PolarHBondContact O-N 3.27Å; T352-Q355 PolarHBondContact O-N 2.82Å; T352-N356 WeakPolarHBondContact CG2-ND2 3.48Å; T352-N356 VanDerWaalsContact O-CB 3.31Å; T352-N356 WeakPolarHBondContact O-CB 3.45Å; T352-N356 PolarHBondContact O-N 3.12Å; T352-N356 PolarHBondContact O-ND2 3.02Å; T352-N356 VanDerWaalsContact O-ND2 3.14Å |
| 353 | F | 74.7 | Confident | 73.2 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -52.3 | 176.2 | -176.4 | -87.2 | 0 | 0 | 0 | 111.4 | L336 N338 E349 D350 L351 Q355 N356 F357 | L336-F353 HydrophobicContact CD1-CE1 4.25Å; L336-F353 HydrophobicContact CD2-CD1 3.92Å; L336-F353 HydrophobicContact CD2-CE1 3.77Å; L336-F353 HydrophobicContact CG-CE1 4.46Å; N338-F353 VanDerWaalsContact ND2-CD1 3.34Å; N338-F353 WeakPolarHBondContact ND2-CD1 3.17Å; N338-F353 WeakPolarHBondContact OD1-CD1 3.34Å; N338-F353 VanDerWaalsContact OD1-CE1 3.26Å; N338-F353 WeakPolarHBondContact OD1-CE1 3.02Å; E349-F353 PolarHBondContact O-N 2.83Å; D350-F353 PolarHBondContact O-N 3.09Å; L351-F353 VanDerWaalsContact C-N 3.35Å; L351-F353 PolarHBondContact O-N 3.45Å; F353-Q355 VanDerWaalsContact C-N 3.32Å; F353-Q355 PolarHBondContact O-N 3.05Å; F353-N356 PolarHBondContact O-N 3.49Å; F353-F357 AromaticContact CD1-CD2 3.94Å; F353-F357 HydrophobicContact CD1-CD2 3.94Å; F353-F357 HydrophobicContact CD1-CE2 4.47Å; F353-F357 AromaticContact CD2-CD2 3.77Å; F353-F357 HydrophobicContact CD2-CD2 3.77Å; F353-F357 AromaticContact CD2-CE2 3.45Å; F353-F357 HydrophobicContact CD2-CE2 3.45Å; F353-F357 VanDerWaalsContact CD2-CE2 3.45Å; F353-F357 AromaticContact CE1-CD2 3.8Å; F353-F357 HydrophobicContact CE1-CD2 3.8Å; F353-F357 HydrophobicContact CE1-CE2 4.31Å; F353-F357 AromaticContact CE2-CD2 3.6Å; F353-F357 HydrophobicContact CE2-CD2 3.6Å; F353-F357 AromaticContact CE2-CE2 3.23Å; F353-F357 HydrophobicContact CE2-CE2 3.23Å; F353-F357 HydrophobicContact CE2-CZ 4.25Å; F353-F357 AromaticContact CG-CD2 3.94Å; F353-F357 HydrophobicContact CG-CD2 3.94Å; F353-F357 HydrophobicContact CG-CE2 4.09Å; F353-F357 AromaticContact CZ-CD2 3.61Å; F353-F357 HydrophobicContact CZ-CD2 3.61Å; F353-F357 AromaticContact CZ-CE2 3.71Å; F353-F357 HydrophobicContact CZ-CE2 3.71Å; F353-F357 VanDerWaalsContact O-CD2 3.22Å; F353-F357 WeakPolarHBondContact O-CD2 3.4Å; F353-F357 PolarHBondContact O-N 3Å; F353-F357 VanDerWaalsContact O-N 3.13Å |
| 354 | A | 75.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L336 D350 L351 N356 F357 L358 Y378 | L336-A354 HydrophobicContact CD2-CB 4.46Å; D350-A354 PolarHBondContact O-N 2.93Å; L351-A354 PolarHBondContact O-N 3.32Å; A354-N356 PolarHBondContact O-N 3.32Å; A354-F357 PolarHBondContact O-N 3.38Å; A354-L358 WeakPolarHBondContact O-CA 3.16Å; A354-L358 VanDerWaalsContact O-CB 3.3Å; A354-L358 WeakPolarHBondContact O-CB 3.27Å; A354-L358 PolarHBondContact O-N 3.04Å; A354-Y378 HydrophobicContact CB-CD1 4.05Å; A354-Y378 HydrophobicContact CB-CD2 3.78Å; A354-Y378 HydrophobicContact CB-CE2 4.5Å; A354-Y378 HydrophobicContact CB-CG 3.52Å |
| 355 | Q | 79.6 | Confident | 77.1 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.7 | -77.1 | 176.6 | -9.8 | 0 | 0 | 111.8 | I317 L351 T352 F353 F357 L359 | I317-Q355 HydrophobicContact CD1-CG 3.8Å; L351-Q355 HydrophobicContact CD1-CG 4.14Å; L351-Q355 HydrophobicContact CG-CG 4.25Å; L351-Q355 VanDerWaalsContact O-CB 3.22Å; L351-Q355 WeakPolarHBondContact O-CB 3.41Å; L351-Q355 WeakPolarHBondContact O-CG 3.4Å; L351-Q355 PolarHBondContact O-N 3.18Å; T352-Q355 PolarHBondContact O-N 2.82Å; F353-Q355 VanDerWaalsContact C-N 3.32Å; F353-Q355 PolarHBondContact O-N 3.05Å; Q355-F357 PolarHBondContact O-N 2.83Å; Q355-L359 WeakPolarHBondContact O-CB 3.28Å; Q355-L359 PolarHBondContact O-N 2.94Å |
| 356 | N | 82.7 | Confident | 78.7 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | -178.1 | -72.5 | -22.9 | 0 | 0 | 0 | 113.2 | T352 F353 A354 | T352-N356 WeakPolarHBondContact CG2-ND2 3.48Å; T352-N356 VanDerWaalsContact O-CB 3.31Å; T352-N356 WeakPolarHBondContact O-CB 3.45Å; T352-N356 PolarHBondContact O-N 3.12Å; T352-N356 PolarHBondContact O-ND2 3.02Å; T352-N356 VanDerWaalsContact O-ND2 3.14Å; F353-N356 PolarHBondContact O-N 3.49Å; A354-N356 PolarHBondContact O-N 3.32Å |
| 357 | F | 83.7 | Confident | 80 | Confident | 60 Ų | 60 | 59 Ų | 59 | 26% | 0.263 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -103.6 | -32.3 | -172.3 | -64.4 | -66.8 | 0 | 0 | 0 | 114.9 | F353 A354 Q355 I361 I425 | F353-F357 AromaticContact CD1-CD2 3.94Å; F353-F357 HydrophobicContact CD1-CD2 3.94Å; F353-F357 HydrophobicContact CD1-CE2 4.47Å; F353-F357 AromaticContact CD2-CD2 3.77Å; F353-F357 HydrophobicContact CD2-CD2 3.77Å; F353-F357 AromaticContact CD2-CE2 3.45Å; F353-F357 HydrophobicContact CD2-CE2 3.45Å; F353-F357 VanDerWaalsContact CD2-CE2 3.45Å; F353-F357 AromaticContact CE1-CD2 3.8Å; F353-F357 HydrophobicContact CE1-CD2 3.8Å; F353-F357 HydrophobicContact CE1-CE2 4.31Å; F353-F357 AromaticContact CE2-CD2 3.6Å; F353-F357 HydrophobicContact CE2-CD2 3.6Å; F353-F357 AromaticContact CE2-CE2 3.23Å; F353-F357 HydrophobicContact CE2-CE2 3.23Å; F353-F357 HydrophobicContact CE2-CZ 4.25Å; F353-F357 AromaticContact CG-CD2 3.94Å; F353-F357 HydrophobicContact CG-CD2 3.94Å; F353-F357 HydrophobicContact CG-CE2 4.09Å; F353-F357 AromaticContact CZ-CD2 3.61Å; F353-F357 HydrophobicContact CZ-CD2 3.61Å; F353-F357 AromaticContact CZ-CE2 3.71Å; F353-F357 HydrophobicContact CZ-CE2 3.71Å; F353-F357 VanDerWaalsContact O-CD2 3.22Å; F353-F357 WeakPolarHBondContact O-CD2 3.4Å; F353-F357 PolarHBondContact O-N 3Å; F353-F357 VanDerWaalsContact O-N 3.13Å; A354-F357 PolarHBondContact O-N 3.38Å; Q355-F357 PolarHBondContact O-N 2.83Å; F357-I361 WeakPolarHBondContact O-CD1 3.4Å; F357-I425 HydrophobicContact CB-CD1 4.42Å |
| 358 | L | 90.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -96.2 | -37.5 | -179.1 | -68.5 | 179.3 | 0 | 0 | 0 | 113.3 | I317 V334 L336 A354 I361 A362 F376 F377 I425 | I317-L358 HydrophobicContact CG2-CB 3.99Å; V334-L358 HydrophobicContact CG1-CD2 4.35Å; L336-L358 HydrophobicContact CB-CD1 3.6Å; L336-L358 HydrophobicContact CB-CD2 4.41Å; L336-L358 HydrophobicContact CB-CG 4.24Å; L336-L358 HydrophobicContact CD2-CD1 3.84Å; L336-L358 HydrophobicContact CD2-CG 3.94Å; L336-L358 HydrophobicContact CG-CD1 4.41Å; A354-L358 WeakPolarHBondContact O-CA 3.16Å; A354-L358 VanDerWaalsContact O-CB 3.3Å; A354-L358 WeakPolarHBondContact O-CB 3.27Å; A354-L358 PolarHBondContact O-N 3.04Å; L358-I361 PolarHBondContact O-N 2.99Å; L358-I361 VanDerWaalsContact O-N 3.14Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 2.8Å; L358-F376 HydrophobicContact CD2-CD1 4.31Å; L358-F377 WeakPolarHBondContact CD1-O 3.23Å; L358-I425 HydrophobicContact CD2-CD1 3.97Å |
| 359 | L | 90.7 | Very high | 81.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | -171.6 | -175.5 | 63.2 | 0 | 0 | 0 | 113 | I317 Q355 I361 A362 E363 | I317-L359 HydrophobicContact CG1-CD1 4.44Å; I317-L359 HydrophobicContact CG2-CD1 4.33Å; Q355-L359 WeakPolarHBondContact O-CB 3.28Å; Q355-L359 PolarHBondContact O-N 2.94Å; L359-I361 PolarHBondContact O-N 2.93Å; L359-A362 PolarHBondContact O-N 2.92Å; L359-A362 VanDerWaalsContact O-N 3.17Å; L359-E363 HydrophobicContact CD1-CG 3.96Å; L359-E363 HydrophobicContact CG-CG 4.26Å; L359-E363 WeakPolarHBondContact O-CG 3.21Å; L359-E363 PolarHBondContact O-N 2.91Å |
| 360 | P | 92.2 | Very high | 81.8 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 29% | 0.286 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.8 | -36.2 | 179 | -24.6 | 34.8 | 0 | 0 | 0 | 112.7 | E364 | P360-E364 WeakPolarHBondContact O-CG 3.35Å |
| 361 | I | 93.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.5 | -41.1 | -179.8 | -55.9 | 176.4 | 0 | 0 | 0 | 110.7 | F357 L358 L359 E363 E364 H365 F376 E422 I425 R426 L429 | F357-I361 WeakPolarHBondContact O-CD1 3.4Å; L358-I361 PolarHBondContact O-N 2.99Å; L358-I361 VanDerWaalsContact O-N 3.14Å; L359-I361 PolarHBondContact O-N 2.93Å; I361-E363 VanDerWaalsContact C-N 3.3Å; I361-E363 PolarHBondContact O-N 2.85Å; I361-E364 WeakPolarHBondContact O-CB 3.5Å; I361-E364 PolarHBondContact O-N 3.44Å; I361-H365 PolarHBondContact O-N 2.8Å; I361-H365 PolarHBondContact O-ND1 2.8Å; I361-F376 HydrophobicContact CB-CE1 4.46Å; I361-F376 HydrophobicContact CG2-CE1 3.82Å; I361-F376 HydrophobicContact CG2-CZ 4.03Å; I361-E422 HydrophobicContact CD1-CG 3.81Å; I361-E422 WeakPolarHBondContact CD1-O 3.48Å; I361-E422 HydrophobicContact CG1-CG 3.77Å; I361-I425 HydrophobicContact CD1-CB 3.43Å; I361-I425 VanDerWaalsContact CD1-CB 3.43Å; I361-I425 HydrophobicContact CD1-CD1 4.19Å; I361-I425 HydrophobicContact CD1-CG1 4.43Å; I361-I425 HydrophobicContact CD1-CG2 3.41Å; I361-I425 VanDerWaalsContact CD1-CG2 3.41Å; I361-I425 HydrophobicContact CG2-CG2 4.37Å; I361-R426 HydrophobicContact CD1-CG 4.07Å; I361-R426 HydrophobicContact CG1-CG 4.15Å; I361-L429 HydrophobicContact CG2-CD1 3.49Å; I361-L429 VanDerWaalsContact CG2-CD1 3.49Å |
| 362 | A | 93.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | S316 I317 L358 L359 E364 H365 F366 F376 | S316-A362 WeakPolarHBondContact O-CB 3.45Å; I317-A362 HydrophobicContact CG2-CB 3.77Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 2.8Å; L359-A362 PolarHBondContact O-N 2.92Å; L359-A362 VanDerWaalsContact O-N 3.17Å; A362-E364 VanDerWaalsContact C-N 3.29Å; A362-E364 PolarHBondContact O-N 2.7Å; A362-H365 CarbonylContact O-C 3.56Å; A362-H365 PolarHBondContact O-N 3.04Å; A362-H365 VanDerWaalsContact O-N 3.09Å; A362-F366 WeakPolarHBondContact O-CB 3.07Å; A362-F366 PolarHBondContact O-N 3.35Å; A362-F376 HydrophobicContact CB-CB 3.92Å; A362-F376 HydrophobicContact CB-CD1 4.21Å; A362-F376 HydrophobicContact CB-CD2 3.61Å; A362-F376 HydrophobicContact CB-CE2 4.2Å; A362-F376 HydrophobicContact CB-CG 3.63Å |
| 363 | E | 92.1 | Very high | 84 | Confident | 109 Ų | 109 | 61 Ų | 61 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -31.4 | 177.4 | -74.2 | -179.3 | 169.8 | 0 | 0 | 113.1 | L359 I361 H365 F366 | L359-E363 HydrophobicContact CD1-CG 3.96Å; L359-E363 HydrophobicContact CG-CG 4.26Å; L359-E363 WeakPolarHBondContact O-CG 3.21Å; L359-E363 PolarHBondContact O-N 2.91Å; I361-E363 VanDerWaalsContact C-N 3.3Å; I361-E363 PolarHBondContact O-N 2.85Å; E363-H365 VanDerWaalsContact C-N 3.27Å; E363-H365 PolarHBondContact O-N 3.26Å; E363-F366 PolarHBondContact O-N 3.43Å |
| 364 | E | 92.2 | Very high | 84.9 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -25.8 | 173.7 | -69.5 | 176.1 | -178.9 | 0 | 0 | 114 | P360 I361 A362 R426 | P360-E364 WeakPolarHBondContact O-CG 3.35Å; I361-E364 WeakPolarHBondContact O-CB 3.5Å; I361-E364 PolarHBondContact O-N 3.44Å; A362-E364 VanDerWaalsContact C-N 3.29Å; A362-E364 PolarHBondContact O-N 2.7Å; E364-R426 IonicContact OE1-CZ 2.68Å; E364-R426 IonicContact OE1-NH1 3.77Å; E364-R426 PolarHBondContact OE1-NH1 2.81Å; E364-R426 IonicContact OE1-NH2 3.58Å; E364-R426 PolarHBondContact OE1-NH2 2.99Å; E364-R426 IonicContact OE2-CZ 3.2Å; E364-R426 IonicContact OE2-NH1 3.08Å; E364-R426 PolarHBondContact OE2-NH1 3.22Å; E364-R426 IonicContact OE2-NH2 2.9Å |
| 365 | H | 88.2 | Confident | 85.7 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -94.5 | -6.2 | 176.2 | -64.4 | 75.5 | 0 | 0 | 0 | 111.7 | I361 A362 E363 F376 K433 | I361-H365 PolarHBondContact O-N 2.8Å; I361-H365 PolarHBondContact O-ND1 2.8Å; A362-H365 CarbonylContact O-C 3.56Å; A362-H365 PolarHBondContact O-N 3.04Å; A362-H365 VanDerWaalsContact O-N 3.09Å; E363-H365 VanDerWaalsContact C-N 3.27Å; E363-H365 PolarHBondContact O-N 3.26Å; H365-F376 HydrophobicContact CB-CE2 3.75Å; H365-F376 HydrophobicContact CB-CZ 4.27Å; H365-F376 AromaticContact CG-CE2 3.89Å; H365-F376 AromaticContact CG-CZ 3.9Å; H365-F376 AromaticContact ND1-CZ 3.75Å; H365-K433 PolarHBondContact NE2-NZ 2.89Å |
| 366 | F | 85.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 55 Ų | 55 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | trans | -93.5 | 124.6 | -178 | -170.4 | -98.1 | 0 | 0 | 0 | 110.4 | P314 A362 E363 E368 | P314-F366 HydrophobicContact CB-CE2 3.81Å; P314-F366 HydrophobicContact CB-CZ 3.97Å; A362-F366 WeakPolarHBondContact O-CB 3.07Å; A362-F366 PolarHBondContact O-N 3.35Å; E363-F366 PolarHBondContact O-N 3.43Å; F366-E368 HydrophobicContact CE1-CG 4.12Å | ||
| 367 | Q | 80.4 | Confident | 87.1 | Confident | 124 Ų | 124 | 50.4 Ų | 50.4 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | trans | -130.9 | 120.1 | 173 | -78.8 | 179.4 | 2.4 | 0 | 0 | 107.9 | Q369 T370 | Q367-Q369 PolarHBondContact O-N 3.08Å; Q367-T370 HydrophobicContact CB-CG2 4.5Å; Q367-T370 WeakPolarHBondContact CB-OG1 3.22Å; Q367-T370 PolarHBondContact O-N 3.02Å; Q367-T370 VanDerWaalsContact O-N 3.14Å; Q367-T370 PolarHBondContact O-OG1 2.95Å | ||
| 368 | E | 71.3 | Confident | 87.5 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 72% | 0.724 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | 140.6 | 177 | -67 | -174.1 | 176 | 0 | 0 | 110.9 | F366 T370 | F366-E368 HydrophobicContact CE1-CG 4.12Å; E368-T370 PolarHBondContact O-N 3.5Å; E368-T370 VanDerWaalsContact O-N 3.1Å |
| 369 | Q | 71.8 | Confident | 87.5 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 1.7 | 179 | -48.9 | 169.6 | 14.2 | 0 | 0 | 115.7 | L292 Q367 | L292-Q369 WeakPolarHBondContact O-CA 3.49Å; Q367-Q369 PolarHBondContact O-N 3.08Å |
| 370 | T | 75.3 | Confident | 87.1 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -118.1 | 146 | 173.7 | 74 | 0 | 0 | 0 | 0 | 111 | V3 Q367 E368 | V3-T370 HydrophobicContact CG2-CG2 3.97Å; Q367-T370 HydrophobicContact CB-CG2 4.5Å; Q367-T370 WeakPolarHBondContact CB-OG1 3.22Å; Q367-T370 PolarHBondContact O-N 3.02Å; Q367-T370 VanDerWaalsContact O-N 3.14Å; Q367-T370 PolarHBondContact O-OG1 2.95Å; E368-T370 PolarHBondContact O-N 3.5Å; E368-T370 VanDerWaalsContact O-N 3.1Å |
| 371 | E | 76.9 | Confident | 86.7 | Confident | 23 Ų | 23 | 48 Ų | 48 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | trans | -73.7 | 123.3 | 173.1 | -174.2 | 168.9 | -137.2 | 0 | 0 | 108.7 | R7 R136 R295 | R7-E371 PolarHBondContact NH1-O 3.16Å; R7-E371 PolarHBondContact NH2-O 3.35Å; R136-E371 IonicContact NH2-OE1 2.66Å; R295-E371 WeakPolarHBondContact CD-OE1 3.01Å; R295-E371 IonicContact CZ-OE1 3.43Å; R295-E371 IonicContact CZ-OE2 2.63Å; R295-E371 IonicContact NE-OE1 3.95Å; R295-E371 IonicContact NE-OE2 2.99Å; R295-E371 IonicContact NH1-OE1 2.63Å; R295-E371 PolarHBondContact NH1-OE1 3.03Å; R295-E371 IonicContact NH1-OE2 2.89Å; R295-E371 PolarHBondContact NH1-OE2 3.12Å | ||
| 372 | P | 84.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 53 Ų | 53 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | trans | -64 | 147.7 | -178.6 | 29.2 | -36.9 | 0 | 0 | 0 | 110.7 | I374 I375 | P372-I374 PolarHBondContact O-N 3.4Å; P372-I375 HydrophobicContact CG-CG2 3.62Å | ||
| 373 | E | 87.3 | Confident | 85.9 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.6 | -24.9 | 175.2 | -65.9 | -174.3 | 121.4 | 0 | 0 | 112.3 | R7 | R7-E373 IonicContact NE-OE1 3.16Š|
| 374 | I | 93.7 | Very high | 85.7 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -138 | 129.6 | -179.6 | -59.1 | 178.9 | 0 | 0 | 0 | 107.7 | V332 V334 P372 F376 L429 F432 | V332-I374 HydrophobicContact CG1-CG1 4.22Å; V332-I374 WeakPolarHBondContact O-CA 3.3Å; V334-I374 HydrophobicContact CG2-CG2 3.65Å; P372-I374 PolarHBondContact O-N 3.4Å; I374-F376 HydrophobicContact CB-CE2 4.3Å; I374-F376 HydrophobicContact CG2-CE2 3.92Å; I374-F376 HydrophobicContact CG2-CZ 4Å; I374-L429 HydrophobicContact CD1-CD2 3.81Å; I374-F432 HydrophobicContact CD1-CD1 4.32Å; I374-F432 HydrophobicContact CD1-CE1 4.31Å |
| 375 | I | 94.5 | Very high | 85.5 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 155.8 | 172.1 | 60.8 | 177.4 | 0 | 0 | 0 | 111.2 | R327 D331 V332 A333 V334 P372 F377 | R327-I375 HydrophobicContact CB-CD1 3.84Å; D331-I375 HydrophobicContact CB-CD1 3.41Å; D331-I375 VanDerWaalsContact CB-CD1 3.41Å; D331-I375 HydrophobicContact CB-CG1 3.82Å; V332-I375 WeakPolarHBondContact O-CG1 3.33Å; V332-I375 PolarHBondContact O-N 3.13Å; A333-I375 CarbonylContact C-O 3.55Å; A333-I375 WeakPolarHBondContact CA-O 3.21Å; A333-I375 HydrophobicContact CB-CD1 4.41Å; A333-I375 HydrophobicContact CB-CG1 3.88Å; V334-I375 PolarHBondContact N-O 2.81Å; P372-I375 HydrophobicContact CG-CG2 3.62Å; I375-F377 HydrophobicContact CD1-CD2 4.29Å; I375-F377 HydrophobicContact CD1-CE2 3.37Å; I375-F377 HydrophobicContact CD1-CZ 4.05Å; I375-F377 HydrophobicContact CG1-CD2 4.3Å; I375-F377 HydrophobicContact CG1-CE2 3.85Å |
| 376 | F | 95.7 | Very high | 85.6 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.2 | -173.2 | -66.6 | -99.6 | 0 | 0 | 0 | 110.6 | I317 I318 V334 L358 I361 A362 H365 I374 L429 | I317-F376 HydrophobicContact CG2-CB 4.19Å; I318-F376 PolarHBondContact N-O 3.4Å; V334-F376 HydrophobicContact CB-CD1 3.74Å; V334-F376 HydrophobicContact CB-CE1 3.94Å; V334-F376 HydrophobicContact CB-CG 4.44Å; V334-F376 HydrophobicContact CG1-CD1 4.03Å; V334-F376 HydrophobicContact CG1-CE1 4.24Å; V334-F376 HydrophobicContact CG2-CD1 4.13Å; V334-F376 HydrophobicContact CG2-CE1 3.8Å; V334-F376 HydrophobicContact CG2-CZ 4.31Å; V334-F376 CarbonylContact O-C 3.58Å; V334-F376 WeakPolarHBondContact O-CA 3.5Å; L358-F376 HydrophobicContact CD2-CD1 4.31Å; I361-F376 HydrophobicContact CB-CE1 4.46Å; I361-F376 HydrophobicContact CG2-CE1 3.82Å; I361-F376 HydrophobicContact CG2-CZ 4.03Å; A362-F376 HydrophobicContact CB-CB 3.92Å; A362-F376 HydrophobicContact CB-CD1 4.21Å; A362-F376 HydrophobicContact CB-CD2 3.61Å; A362-F376 HydrophobicContact CB-CE2 4.2Å; A362-F376 HydrophobicContact CB-CG 3.63Å; H365-F376 HydrophobicContact CB-CE2 3.75Å; H365-F376 HydrophobicContact CB-CZ 4.27Å; H365-F376 AromaticContact CG-CE2 3.89Å; H365-F376 AromaticContact CG-CZ 3.9Å; H365-F376 AromaticContact ND1-CZ 3.75Å; I374-F376 HydrophobicContact CB-CE2 4.3Å; I374-F376 HydrophobicContact CG2-CE2 3.92Å; I374-F376 HydrophobicContact CG2-CZ 4Å; F376-L429 HydrophobicContact CE1-CD1 4Å; F376-L429 HydrophobicContact CZ-CD1 3.99Å |
| 377 | F | 95 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.1 | 178.9 | -78.9 | -82.9 | 0 | 0 | 0 | 112 | I318 L320 R327 L328 A333 V334 I335 L336 L358 I375 | I318-F377 HydrophobicContact CB-CD1 3.79Å; I318-F377 HydrophobicContact CB-CE1 3.59Å; I318-F377 HydrophobicContact CB-CG 4.49Å; I318-F377 HydrophobicContact CB-CZ 4.17Å; I318-F377 HydrophobicContact CD1-CE1 4.45Å; I318-F377 HydrophobicContact CD1-CZ 4.17Å; I318-F377 HydrophobicContact CG2-CD1 3.95Å; I318-F377 HydrophobicContact CG2-CE1 3.36Å; I318-F377 HydrophobicContact CG2-CZ 4.06Å; I318-F377 WeakPolarHBondContact O-CA 3.38Å; I318-F377 VanDerWaalsContact O-CD1 3.26Å; I318-F377 WeakPolarHBondContact O-CD1 3.37Å; L320-F377 HydrophobicContact CB-CB 4.42Å; L320-F377 HydrophobicContact CB-CD1 3.93Å; L320-F377 HydrophobicContact CD1-CD1 3.93Å; L320-F377 HydrophobicContact CD1-CE1 4.14Å; L320-F377 HydrophobicContact CD1-CG 4.42Å; R327-F377 HydrophobicContact CB-CE2 4.15Å; R327-F377 HydrophobicContact CB-CZ 3.78Å; R327-F377 HydrophobicContact CG-CZ 4.19Å; L328-F377 HydrophobicContact CD2-CD2 3.82Å; L328-F377 HydrophobicContact CD2-CE2 3.74Å; A333-F377 HydrophobicContact CB-CD2 3.96Å; A333-F377 HydrophobicContact CB-CE2 4.19Å; V334-F377 PolarHBondContact O-N 2.61Å; I335-F377 WeakPolarHBondContact CA-O 3.4Å; I335-F377 HydrophobicContact CB-CB 4.37Å; I335-F377 HydrophobicContact CG1-CB 4.23Å; I335-F377 HydrophobicContact CG2-CB 4.06Å; L336-F377 PolarHBondContact N-O 3.44Å; L358-F377 WeakPolarHBondContact CD1-O 3.23Å; I375-F377 HydrophobicContact CD1-CD2 4.29Å; I375-F377 HydrophobicContact CD1-CE2 3.37Å; I375-F377 HydrophobicContact CD1-CZ 4.05Å; I375-F377 HydrophobicContact CG1-CD2 4.3Å; I375-F377 HydrophobicContact CG1-CE2 3.85Å |
| 378 | Y | 92 | Very high | 86.3 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.9 | 161.5 | 72.3 | -77.3 | 0 | 0 | 0 | 109.5 | I318 E319 L320 L336 L351 A354 A380 | I318-Y378 WeakPolarHBondContact O-CD1 3.47Å; I318-Y378 PolarHBondContact O-N 2.94Å; I318-Y378 VanDerWaalsContact O-N 3.12Å; E319-Y378 VanDerWaalsContact CA-CE1 3.49Å; E319-Y378 HydrophobicContact CB-CE1 3.78Å; E319-Y378 HydrophobicContact CB-CE2 4.42Å; E319-Y378 HydrophobicContact CG-CE1 4.31Å; E319-Y378 HydrophobicContact CG-CE2 4.06Å; L320-Y378 WeakPolarHBondContact CB-O 3.42Å; L320-Y378 PolarHBondContact N-O 2.82Å; L336-Y378 CarbonylContact O-C 3.53Å; L336-Y378 WeakPolarHBondContact O-CA 3.4Å; L351-Y378 HydrophobicContact CD1-CE1 4.37Å; L351-Y378 HydrophobicContact CD1-CE2 4.4Å; L351-Y378 WeakPolarHBondContact CD1-OH 3.31Å; A354-Y378 HydrophobicContact CB-CD1 4.05Å; A354-Y378 HydrophobicContact CB-CD2 3.78Å; A354-Y378 HydrophobicContact CB-CE2 4.5Å; A354-Y378 HydrophobicContact CB-CG 3.52Å; Y378-A380 HydrophobicContact CD2-CB 4.08Å; Y378-A380 HydrophobicContact CE2-CB 3.8Å |
| 379 | A | 89.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L320 L336 F337 N385 | L320-A379 HydrophobicContact CB-CB 4.3Å; L320-A379 HydrophobicContact CD2-CB 4.17Å; L336-A379 PolarHBondContact O-N 3.01Å; F337-A379 HydrophobicContact CD1-CB 3.78Å; F337-A379 HydrophobicContact CE1-CB 4.3Å; A379-N385 HydrophobicContact CB-CB 4.17Å |
| 380 | A | 82.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | trans | -108.1 | -23.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y378 | Y378-A380 HydrophobicContact CD2-CB 4.08Å; Y378-A380 HydrophobicContact CE2-CB 3.8Å | ||
| 381 | E | 83.4 | Confident | 89 | Confident | 72 Ų | 72 | 35.7 Ų | 35.7 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | trans | -91.9 | 134.7 | 177.2 | 175.9 | -174.5 | 174.5 | 0 | 0 | 110.3 | S383 I384 N385 | E381-S383 PolarHBondContact O-N 3.07Å; E381-S383 PolarHBondContact OE1-OG 3.31Å; E381-I384 HydrophobicContact CB-CG2 3.72Å; E381-I384 HydrophobicContact CG-CG2 4.3Å; E381-I384 WeakPolarHBondContact O-CG2 3.16Å; E381-N385 VanDerWaalsContact O-CB 3.25Å; E381-N385 WeakPolarHBondContact O-CB 3.31Å; E381-N385 PolarHBondContact O-N 3.33Å; E381-N385 VanDerWaalsContact O-N 3.08Å | ||
| 382 | E | 84.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 34.8 Ų | 34.8 | 49% | 0.486 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | -178.2 | -161.9 | 174.6 | 168.5 | 0 | 0 | 110.8 | L340 I384 N385 D386 | L340-E382 VanDerWaalsContact CD1-CA 3.49Å; L340-E382 HydrophobicContact CD1-CB 3.46Å; L340-E382 VanDerWaalsContact CD1-CB 3.46Å; L340-E382 HydrophobicContact CD1-CG 3.92Å; E382-I384 VanDerWaalsContact C-N 3.33Å; E382-I384 PolarHBondContact O-N 3.1Å; E382-N385 WeakPolarHBondContact O-CB 3.21Å; E382-N385 PolarHBondContact O-N 3.29Å; E382-D386 PolarHBondContact O-N 2.89Å |
| 383 | S | 87 | Confident | 90.1 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | -174.8 | 93.7 | 0 | 0 | 0 | 0 | 112.7 | E381 R387 | E381-S383 PolarHBondContact O-N 3.07Å; E381-S383 PolarHBondContact OE1-OG 3.31Å; S383-R387 VanDerWaalsContact O-CB 3.26Å; S383-R387 WeakPolarHBondContact O-CB 3.38Å; S383-R387 PolarHBondContact O-N 2.83Å |
| 384 | I | 87.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78 | -35.6 | 178.7 | -164.4 | 64.7 | 0 | 0 | 0 | 111 | L320 E322 E381 E382 I388 | L320-I384 HydrophobicContact CG-CG1 4.35Å; L320-I384 VanDerWaalsContact O-CG2 3.3Å; L320-I384 WeakPolarHBondContact O-CG2 3.46Å; E322-I384 HydrophobicContact CG-CD1 4.08Å; E381-I384 HydrophobicContact CB-CG2 3.72Å; E381-I384 HydrophobicContact CG-CG2 4.3Å; E381-I384 WeakPolarHBondContact O-CG2 3.16Å; E382-I384 VanDerWaalsContact C-N 3.33Å; E382-I384 PolarHBondContact O-N 3.1Å; I384-I388 HydrophobicContact CD1-CG1 4.27Å; I384-I388 HydrophobicContact CG1-CG1 4.2Å; I384-I388 WeakPolarHBondContact O-CB 3.36Å; I384-I388 WeakPolarHBondContact O-CG1 3.09Å; I384-I388 PolarHBondContact O-N 3.37Å |
| 385 | N | 88.2 | Confident | 90.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -57.9 | 175.4 | -176.2 | -9.3 | 0 | 0 | 0 | 110.2 | F337 N338 A379 E381 E382 R387 I388 L389 | F337-N385 WeakPolarHBondContact CD1-OD1 3.49Å; N338-N385 PolarHBondContact O-ND2 3.37Å; A379-N385 HydrophobicContact CB-CB 4.17Å; E381-N385 VanDerWaalsContact O-CB 3.25Å; E381-N385 WeakPolarHBondContact O-CB 3.31Å; E381-N385 PolarHBondContact O-N 3.33Å; E381-N385 VanDerWaalsContact O-N 3.08Å; E382-N385 WeakPolarHBondContact O-CB 3.21Å; E382-N385 PolarHBondContact O-N 3.29Å; N385-R387 VanDerWaalsContact C-N 3.32Å; N385-R387 PolarHBondContact O-N 2.99Å; N385-I388 PolarHBondContact O-N 3.19Å; N385-L389 WeakPolarHBondContact O-CB 3.43Å; N385-L389 WeakPolarHBondContact O-CG 3.46Å; N385-L389 PolarHBondContact O-N 3.31Å; N385-L389 WeakPolarHBondContact OD1-CD1 3.37Å; N385-L389 WeakPolarHBondContact OD1-CG 3.48Å |
| 386 | D | 89.4 | Confident | 90.1 | Very high | 86 Ų | 86 | 40.5 Ų | 40.5 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -44.5 | -179.6 | -75 | -9.2 | 0 | 0 | 0 | 112 | E382 I388 L389 E390 | E382-D386 PolarHBondContact O-N 2.89Å; D386-I388 PolarHBondContact O-N 2.94Å; D386-L389 PolarHBondContact O-N 3.09Å; D386-E390 WeakPolarHBondContact O-CB 3.3Å; D386-E390 PolarHBondContact O-N 2.89Å |
| 387 | R | 90.2 | Very high | 89.8 | Confident | 86 Ų | 86 | 43.6 Ų | 43.6 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 179.3 | -178.4 | 177.4 | 177.7 | -177.7 | -1 | 112.1 | E322 S383 N385 V391 | E322-R387 IonicContact OE1-NH1 3.61Å; E322-R387 PolarHBondContact OE1-NH1 2.99Å; S383-R387 VanDerWaalsContact O-CB 3.26Å; S383-R387 WeakPolarHBondContact O-CB 3.38Å; S383-R387 PolarHBondContact O-N 2.83Å; N385-R387 VanDerWaalsContact C-N 3.32Å; N385-R387 PolarHBondContact O-N 2.99Å; R387-V391 WeakPolarHBondContact O-CB 3.33Å; R387-V391 WeakPolarHBondContact O-CG2 3.16Å; R387-V391 PolarHBondContact O-N 2.95Å |
| 388 | I | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -42.6 | -179.2 | -63.5 | -71 | 0 | 0 | 0 | 110.3 | L320 A325 L328 F337 I384 N385 D386 E390 V391 F392 F450 | L320-I388 HydrophobicContact CD2-CB 4.41Å; L320-I388 HydrophobicContact CD2-CG1 4Å; L320-I388 HydrophobicContact CD2-CG2 4.29Å; A325-I388 HydrophobicContact CB-CD1 4.23Å; L328-I388 HydrophobicContact CD1-CD1 4.21Å; L328-I388 HydrophobicContact CD1-CG2 4.35Å; F337-I388 HydrophobicContact CE1-CB 4.1Å; F337-I388 HydrophobicContact CE1-CG2 3.86Å; F337-I388 HydrophobicContact CZ-CB 4.44Å; F337-I388 HydrophobicContact CZ-CG2 3.7Å; I384-I388 HydrophobicContact CD1-CG1 4.27Å; I384-I388 HydrophobicContact CG1-CG1 4.2Å; I384-I388 WeakPolarHBondContact O-CB 3.36Å; I384-I388 WeakPolarHBondContact O-CG1 3.09Å; I384-I388 PolarHBondContact O-N 3.37Å; N385-I388 PolarHBondContact O-N 3.19Å; D386-I388 PolarHBondContact O-N 2.94Å; I388-E390 VanDerWaalsContact C-N 3.31Å; I388-E390 PolarHBondContact O-N 3.12Å; I388-V391 PolarHBondContact O-N 2.83Å; I388-F392 HydrophobicContact CG2-CD1 4.46Å; I388-F392 HydrophobicContact CG2-CD2 4.16Å; I388-F392 HydrophobicContact CG2-CE1 4.31Å; I388-F392 HydrophobicContact CG2-CE2 4.04Å; I388-F392 HydrophobicContact CG2-CG 4.39Å; I388-F392 HydrophobicContact CG2-CZ 4.11Å; I388-F392 WeakPolarHBondContact O-CB 3.26Å; I388-F392 WeakPolarHBondContact O-CG 3.46Å; I388-F392 PolarHBondContact O-N 3.29Å; I388-F450 HydrophobicContact CD1-CE1 4.39Å; I388-F450 HydrophobicContact CD1-CE2 3.96Å; I388-F450 HydrophobicContact CD1-CZ 3.43Å; I388-F450 VanDerWaalsContact CD1-CZ 3.43Å |
| 389 | L | 92.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 173.9 | -72.1 | 176.7 | 0 | 0 | 0 | 111.5 | F337 N385 D386 V391 F392 G393 L394 N395 L399 L401 | F337-L389 HydrophobicContact CD1-CD2 4.06Å; F337-L389 HydrophobicContact CD1-CG 4.09Å; F337-L389 HydrophobicContact CD2-CD2 3.99Å; F337-L389 HydrophobicContact CE1-CD2 4.1Å; F337-L389 HydrophobicContact CE1-CG 4.13Å; F337-L389 HydrophobicContact CE2-CD2 4.05Å; F337-L389 HydrophobicContact CG-CD2 3.98Å; F337-L389 HydrophobicContact CG-CG 4.43Å; F337-L389 HydrophobicContact CZ-CD2 4.09Å; N385-L389 WeakPolarHBondContact O-CB 3.43Å; N385-L389 WeakPolarHBondContact O-CG 3.46Å; N385-L389 PolarHBondContact O-N 3.31Å; N385-L389 WeakPolarHBondContact OD1-CD1 3.37Å; N385-L389 WeakPolarHBondContact OD1-CG 3.48Å; D386-L389 PolarHBondContact O-N 3.09Å; L389-V391 PolarHBondContact O-N 3.25Å; L389-F392 CarbonylContact O-C 3.48Å; L389-F392 PolarHBondContact O-N 3.4Å; L389-G393 PolarHBondContact O-N 3.21Å; L389-L394 HydrophobicContact CD2-CB 3.93Å; L389-L394 PolarHBondContact O-N 2.94Å; L389-N395 HydrophobicContact CB-CB 4.3Å; L389-L399 HydrophobicContact CD1-CD2 4.22Å; L389-L401 HydrophobicContact CD2-CD2 3.77Å |
| 390 | E | 91.8 | Very high | 89.1 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.9 | -178.4 | -175 | 176.1 | 0 | 0 | 112.1 | D386 I388 F392 G393 K446 | D386-E390 WeakPolarHBondContact O-CB 3.3Å; D386-E390 PolarHBondContact O-N 2.89Å; I388-E390 VanDerWaalsContact C-N 3.31Å; I388-E390 PolarHBondContact O-N 3.12Å; E390-F392 VanDerWaalsContact C-N 3.26Å; E390-F392 PolarHBondContact O-N 2.78Å; E390-G393 PolarHBondContact O-N 3.1Å; E390-K446 WeakPolarHBondContact O-CD 3.45Å; E390-K446 PolarHBondContact O-NZ 2.85Å; E390-K446 IonicContact OE1-NZ 3.38Å; E390-K446 PolarHBondContact OE1-NZ 3.07Å |
| 391 | V | 90.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 178.7 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | R387 I388 L389 G393 P443 F447 F450 | R387-V391 WeakPolarHBondContact O-CB 3.33Å; R387-V391 WeakPolarHBondContact O-CG2 3.16Å; R387-V391 PolarHBondContact O-N 2.95Å; I388-V391 PolarHBondContact O-N 2.83Å; L389-V391 PolarHBondContact O-N 3.25Å; V391-G393 VanDerWaalsContact C-N 3.32Å; V391-P443 WeakPolarHBondContact O-CG 3.27Å; V391-F447 HydrophobicContact CG1-CD2 4.34Å; V391-F450 HydrophobicContact CB-CD2 4.13Å; V391-F450 HydrophobicContact CB-CE2 4.31Å; V391-F450 HydrophobicContact CG1-CB 4.37Å; V391-F450 HydrophobicContact CG1-CD2 3.68Å; V391-F450 HydrophobicContact CG1-CE2 4.17Å; V391-F450 HydrophobicContact CG1-CG 4.1Å; V391-F450 HydrophobicContact CG2-CD2 3.46Å; V391-F450 VanDerWaalsContact CG2-CD2 3.46Å; V391-F450 HydrophobicContact CG2-CE2 3.69Å |
| 392 | F | 92.6 | Very high | 90 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.3 | -14.5 | 176.4 | -77.7 | 11.3 | 0 | 0 | 0 | 113.2 | L328 I335 I388 L389 E390 L394 S405 I412 F447 | L328-F392 HydrophobicContact CD1-CZ 4.13Å; I335-F392 HydrophobicContact CD1-CE2 3.73Å; I335-F392 HydrophobicContact CD1-CZ 4.12Å; I388-F392 HydrophobicContact CG2-CD1 4.46Å; I388-F392 HydrophobicContact CG2-CD2 4.16Å; I388-F392 HydrophobicContact CG2-CE1 4.31Å; I388-F392 HydrophobicContact CG2-CE2 4.04Å; I388-F392 HydrophobicContact CG2-CG 4.39Å; I388-F392 HydrophobicContact CG2-CZ 4.11Å; I388-F392 WeakPolarHBondContact O-CB 3.26Å; I388-F392 WeakPolarHBondContact O-CG 3.46Å; I388-F392 PolarHBondContact O-N 3.29Å; L389-F392 CarbonylContact O-C 3.48Å; L389-F392 PolarHBondContact O-N 3.4Å; E390-F392 VanDerWaalsContact C-N 3.26Å; E390-F392 PolarHBondContact O-N 2.78Å; F392-L394 HydrophobicContact CB-CB 4.45Å; F392-L394 HydrophobicContact CB-CD1 4Å; F392-L394 HydrophobicContact CB-CG 3.88Å; F392-L394 HydrophobicContact CD2-CD1 4.26Å; F392-S405 VanDerWaalsContact CZ-OG 3.24Å; F392-S405 WeakPolarHBondContact CZ-OG 3.2Å; F392-I412 HydrophobicContact CB-CD1 3.49Å; F392-I412 VanDerWaalsContact CB-CD1 3.49Å; F392-I412 HydrophobicContact CD1-CD1 3.93Å; F392-I412 HydrophobicContact CD2-CD1 3.93Å; F392-I412 HydrophobicContact CD2-CG1 4.24Å; F392-I412 HydrophobicContact CD2-CG2 4.46Å; F392-I412 HydrophobicContact CG-CD1 3.52Å; F392-I412 HydrophobicContact CG-CG1 4.25Å; F392-I412 WeakPolarHBondContact O-CD1 3.39Å; F392-F447 HydrophobicContact CE1-CE2 4Å |
| 393 | G | 92.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 31.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L389 E390 V391 | L389-G393 PolarHBondContact O-N 3.21Å; E390-G393 PolarHBondContact O-N 3.1Å; V391-G393 VanDerWaalsContact C-N 3.32Å |
| 394 | L | 92.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -113.8 | 5.6 | -176.9 | -58.1 | -177.6 | 0 | 0 | 0 | 113.3 | L389 F392 D396 L397 L401 C403 I412 V414 I440 | L389-L394 HydrophobicContact CD2-CB 3.93Å; L389-L394 PolarHBondContact O-N 2.94Å; F392-L394 HydrophobicContact CB-CB 4.45Å; F392-L394 HydrophobicContact CB-CD1 4Å; F392-L394 HydrophobicContact CB-CG 3.88Å; F392-L394 HydrophobicContact CD2-CD1 4.26Å; L394-D396 PolarHBondContact O-N 2.8Å; L394-D396 VanDerWaalsContact O-N 3.08Å; L394-L397 HydrophobicContact CB-CD1 4.25Å; L394-L397 HydrophobicContact CD2-CD1 3.82Å; L394-L397 HydrophobicContact CG-CD1 4.5Å; L394-L397 WeakPolarHBondContact O-CB 3.39Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-L401 HydrophobicContact CB-CD2 4.2Å; L394-L401 HydrophobicContact CD1-CD2 4.14Å; L394-C403 HydrophobicContact CD1-CB 4.38Å; L394-I412 HydrophobicContact CD1-CG2 3.94Å; L394-V414 HydrophobicContact CD1-CG2 3.92Å; L394-V414 HydrophobicContact CD2-CG2 3.8Å; L394-I440 HydrophobicContact CD2-CD1 4.34Å | ||
| 395 | N | 90.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.6 | -178.3 | 58.9 | -85.4 | 0 | 0 | 0 | 114.5 | L389 | L389-N395 HydrophobicContact CB-CB 4.3Š|
| 396 | D | 91.2 | Very high | 91.8 | Very high | 145 Ų | 145 | 40.3 Ų | 40.3 | 78% | 0.775 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.8 | 176.7 | -60.7 | -33.7 | 0 | 0 | 0 | 113 | L394 | L394-D396 PolarHBondContact O-N 2.8Å; L394-D396 VanDerWaalsContact O-N 3.08Å |
| 397 | L | 91.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -85.8 | 145.9 | -178.7 | -63 | -175.6 | 0 | 0 | 0 | 111.8 | L394 L401 V414 | L394-L397 HydrophobicContact CB-CD1 4.25Å; L394-L397 HydrophobicContact CD2-CD1 3.82Å; L394-L397 HydrophobicContact CG-CD1 4.5Å; L394-L397 WeakPolarHBondContact O-CB 3.39Å; L394-L397 PolarHBondContact O-N 2.95Å; L397-L401 HydrophobicContact CB-CD1 4.39Å; L397-L401 HydrophobicContact CB-CD2 4.28Å; L397-L401 HydrophobicContact CD1-CD1 4.05Å; L397-L401 HydrophobicContact CD1-CD2 4.2Å; L397-V414 HydrophobicContact CD1-CG1 3.94Å; L397-V414 HydrophobicContact CD1-CG2 4.28Å |
| 398 | P | 88.3 | Confident | 91.9 | Very high | 105 Ų | 105 | 33.6 Ų | 33.6 | 68% | 0.682 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -69.2 | 146.5 | 177 | 30.2 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 399 | L | 87.1 | Confident | 91.8 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -95 | 154.6 | 171 | -65.4 | -178.9 | 0 | 0 | 0 | 110.6 | F337 L339 L389 L401 | F337-L399 HydrophobicContact CB-CD2 3.56Å; L339-L399 WeakPolarHBondContact CD1-O 3.23Å; L339-L399 HydrophobicContact CD2-CB 4.46Å; L339-L399 HydrophobicContact CG-CB 3.76Å; L389-L399 HydrophobicContact CD1-CD2 4.22Å; L399-L401 HydrophobicContact CD2-CB 3.69Å |
| 400 | P | 86.5 | Confident | 91.6 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | S | Bend | cis | -69.5 | 146.9 | -4.1 | 32.6 | -36 | 0 | 0 | 0 | 111.7 | F337 V420 | F337-P400 CarbonylContact O-C 3.53Å; F337-P400 WeakPolarHBondContact O-CA 3.25Å; F337-P400 WeakPolarHBondContact O-CB 3.39Å; P400-V420 HydrophobicContact CB-CG2 4.17Å; P400-V420 HydrophobicContact CG-CG2 3.96Å |
| 401 | L | 90.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.3 | -177.1 | -178.9 | 69.8 | 0 | 0 | 0 | 109.5 | F337 L389 L394 L397 L399 V414 | F337-L401 HydrophobicContact CB-CB 4.26Å; F337-L401 HydrophobicContact CD2-CB 4.37Å; F337-L401 HydrophobicContact CD2-CD2 4.32Å; F337-L401 HydrophobicContact CD2-CG 4.48Å; F337-L401 PolarHBondContact N-O 2.92Å; F337-L401 PolarHBondContact O-N 2.84Å; L389-L401 HydrophobicContact CD2-CD2 3.77Å; L394-L401 HydrophobicContact CB-CD2 4.2Å; L394-L401 HydrophobicContact CD1-CD2 4.14Å; L397-L401 HydrophobicContact CB-CD1 4.39Å; L397-L401 HydrophobicContact CB-CD2 4.28Å; L397-L401 HydrophobicContact CD1-CD1 4.05Å; L397-L401 HydrophobicContact CD1-CD2 4.2Å; L399-L401 HydrophobicContact CD2-CB 3.69Å; L401-V414 HydrophobicContact CD1-CG1 3.7Å |
| 402 | V | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.3 | 168.8 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | V334 I335 L336 C415 V420 I425 F428 | V334-V402 HydrophobicContact CG1-CG1 4.01Å; I335-V402 WeakPolarHBondContact O-CA 3.42Å; L336-V402 HydrophobicContact CD1-CG2 3.65Å; V402-C415 HydrophobicContact CB-CB 3.94Å; V402-C415 HydrophobicContact CG1-CB 4.44Å; V402-C415 VanDerWaalsContact O-CB 3.23Å; V402-C415 WeakPolarHBondContact O-CB 3.25Å; V402-C415 PolarHBondContact O-N 2.99Å; V402-V420 HydrophobicContact CG2-CB 4.45Å; V402-V420 HydrophobicContact CG2-CG1 3.73Å; V402-V420 HydrophobicContact CG2-CG2 3.78Å; V402-I425 HydrophobicContact CG2-CG1 4.32Å; V402-F428 HydrophobicContact CG1-CD1 4.11Å; V402-F428 HydrophobicContact CG1-CE1 4.08Å |
| 403 | C | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.6 | 171.9 | 82.9 | 0 | 0 | 0 | 0 | 111.9 | V334 I335 L394 I412 Y413 V414 | V334-C403 CarbonylContact C-O 3.46Å; V334-C403 WeakPolarHBondContact CA-O 3.44Å; I335-C403 PolarHBondContact N-O 3.07Å; I335-C403 PolarHBondContact O-N 3.41Å; L394-C403 HydrophobicContact CD1-CB 4.38Å; C403-I412 HydrophobicContact CB-CG2 3.98Å; C403-Y413 CarbonylContact C-O 3.6Å; C403-Y413 WeakPolarHBondContact CA-O 3.28Å; C403-Y413 VanDerWaalsContact CB-O 3.24Å; C403-Y413 WeakPolarHBondContact CB-O 3.35Å; C403-V414 HydrophobicContact CB-CG2 4.45Å |
| 404 | I | 97.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.4 | 166.8 | -66.9 | 160.1 | 0 | 0 | 0 | 107.7 | V332 A333 V334 I412 Y413 F428 L429 F432 | V332-I404 HydrophobicContact CG1-CG2 3.75Å; A333-I404 CarbonylContact O-C 3.53Å; A333-I404 VanDerWaalsContact O-CA 3.25Å; A333-I404 WeakPolarHBondContact O-CA 3.46Å; V334-I404 HydrophobicContact CG2-CG1 3.89Å; I404-I412 CarbonylContact O-C 3.6Å; I404-I412 VanDerWaalsContact O-CA 3.29Å; I404-I412 WeakPolarHBondContact O-CA 3.49Å; I404-Y413 HydrophobicContact CB-CD2 4.25Å; I404-Y413 HydrophobicContact CG2-CD2 4.22Å; I404-Y413 PolarHBondContact N-O 3.38Å; I404-Y413 PolarHBondContact O-N 2.8Å; I404-F428 HydrophobicContact CB-CE1 4.48Å; I404-F428 HydrophobicContact CD1-CD1 3.97Å; I404-F428 HydrophobicContact CD1-CE1 3.55Å; I404-F428 HydrophobicContact CD1-CZ 3.92Å; I404-F428 HydrophobicContact CG1-CD1 4.35Å; I404-F428 HydrophobicContact CG1-CE1 3.62Å; I404-F428 HydrophobicContact CG1-CZ 4.13Å; I404-L429 HydrophobicContact CD1-CD2 4.07Å; I404-F432 HydrophobicContact CD1-CB 3.6Å; I404-F432 HydrophobicContact CD1-CD1 4.05Å; I404-F432 HydrophobicContact CD1-CD2 3.87Å; I404-F432 HydrophobicContact CD1-CG 3.56Å; I404-F432 HydrophobicContact CG2-CD2 4.12Å; I404-F432 HydrophobicContact CG2-CE1 4.32Å; I404-F432 HydrophobicContact CG2-CE2 3.76Å; I404-F432 HydrophobicContact CG2-CZ 3.87Å |
| 405 | S | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.5 | 166.7 | -165.8 | 0 | 0 | 0 | 0 | 108.1 | V332 A333 F392 Y442 | V332-S405 WeakPolarHBondContact CA-O 3.39Å; A333-S405 PolarHBondContact N-O 3.26Å; A333-S405 PolarHBondContact O-N 3.24Å; F392-S405 VanDerWaalsContact CZ-OG 3.24Å; F392-S405 WeakPolarHBondContact CZ-OG 3.2Å; S405-Y442 PolarHBondContact OG-OH 3.38Å |
| 406 | D | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 100 | 175.9 | 177.1 | 14.1 | 0 | 0 | 0 | 110.7 | R131 F408 S409 E410 S411 Y413 F432 Y442 | R131-D406 IonicContact CZ-OD2 3.95Å; R131-D406 IonicContact NE-OD1 3.93Å; R131-D406 IonicContact NE-OD2 3.67Å; R131-D406 PolarHBondContact NE-OD2 2.71Å; R131-D406 IonicContact NH2-OD2 2.79Å; R131-D406 PolarHBondContact NH2-OD2 2.93Å; D406-F408 PolarHBondContact O-N 2.82Å; D406-F408 WeakPolarHBondContact OD1-CB 3.44Å; D406-F408 VanDerWaalsContact OD1-CD2 3.29Å; D406-F408 WeakPolarHBondContact OD1-CD2 3.39Å; D406-F408 PolarHBondContact OD1-N 3.17Å; D406-S409 WeakPolarHBondContact CB-OG 3.45Å; D406-S409 PolarHBondContact O-N 3.38Å; D406-S409 PolarHBondContact OD1-N 2.94Å; D406-S409 VanDerWaalsContact OD2-CB 3.22Å; D406-S409 WeakPolarHBondContact OD2-CB 3.48Å; D406-S409 PolarHBondContact OD2-N 3.21Å; D406-S409 PolarHBondContact OD2-OG 3.28Å; D406-E410 PolarHBondContact O-N 3.03Å; D406-S411 PolarHBondContact N-O 3.08Å; D406-S411 PolarHBondContact O-N 3.15Å; D406-S411 VanDerWaalsContact O-N 3.17Å; D406-Y413 HydrophobicContact CB-CE2 3.99Å; D406-F432 HydrophobicContact CB-CZ 4.44Å; D406-Y442 PolarHBondContact N-OH 3.23Å; D406-Y442 PolarHBondContact O-OH 3.07Å |
| 407 | P | 91.4 | Very high | 92.2 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.1 | 179.2 | 27.9 | -33.9 | 0 | 0 | 0 | 113.3 | R329 D331 Y442 | R329-P407 VanDerWaalsContact O-CB 3.22Å; R329-P407 WeakPolarHBondContact O-CB 3.44Å; D331-P407 VanDerWaalsContact O-CD 3.24Å; D331-P407 WeakPolarHBondContact O-CD 3.35Å; P407-Y442 WeakPolarHBondContact CA-OH 3.33Å; P407-Y442 VanDerWaalsContact N-OH 3.13Å |
| 408 | F | 89.8 | Confident | 91.4 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -32.8 | -179 | -53.3 | -73.3 | 0 | 0 | 0 | 113 | M130 R131 H134 D330 V332 D406 | M130-F408 HydrophobicContact CB-CB 4.05Å; M130-F408 HydrophobicContact CB-CD1 4.24Å; M130-F408 HydrophobicContact CE-CB 4.08Å; M130-F408 HydrophobicContact CE-CD1 4.49Å; M130-F408 WeakPolarHBondContact CE-O 3.17Å; R131-F408 HydrophobicContact CB-CD2 4.26Å; R131-F408 HydrophobicContact CB-CG 4.49Å; R131-F408 HydrophobicContact CG-CB 3.75Å; R131-F408 HydrophobicContact CG-CD2 3.6Å; R131-F408 HydrophobicContact CG-CE2 4.46Å; R131-F408 HydrophobicContact CG-CG 3.86Å; H134-F408 AromaticContact CE1-CZ 3.8Å; H134-F408 AromaticContact ND1-CZ 3.63Å; D330-F408 WeakPolarHBondContact O-CZ 3.47Å; V332-F408 HydrophobicContact CG2-CD2 3.76Å; V332-F408 HydrophobicContact CG2-CE2 3.91Å; D406-F408 PolarHBondContact O-N 2.82Å; D406-F408 WeakPolarHBondContact OD1-CB 3.44Å; D406-F408 VanDerWaalsContact OD1-CD2 3.29Å; D406-F408 WeakPolarHBondContact OD1-CD2 3.39Å; D406-F408 PolarHBondContact OD1-N 3.17Å |
| 409 | S | 89.7 | Confident | 91 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 0.8 | 168.5 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | D406 S411 Y413 | D406-S409 WeakPolarHBondContact CB-OG 3.45Å; D406-S409 PolarHBondContact O-N 3.38Å; D406-S409 PolarHBondContact OD1-N 2.94Å; D406-S409 VanDerWaalsContact OD2-CB 3.22Å; D406-S409 WeakPolarHBondContact OD2-CB 3.48Å; D406-S409 PolarHBondContact OD2-N 3.21Å; D406-S409 PolarHBondContact OD2-OG 3.28Å; S409-S411 PolarHBondContact O-N 2.82Å; S409-S411 PolarHBondContact O-OG 3.46Å; S409-Y413 PolarHBondContact OG-OH 3.27Å |
| 410 | E | 89.5 | Confident | 90.8 | Very high | 132 Ų | 132 | 36.4 Ų | 36.4 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.2 | -173.4 | -59.8 | -178.5 | 174.2 | 0 | 0 | 112.1 | D406 Y442 | D406-E410 PolarHBondContact O-N 3.03Å; E410-Y442 HydrophobicContact CB-CD2 4.02Å; E410-Y442 HydrophobicContact CB-CE2 4.48Å; E410-Y442 PolarHBondContact O-N 3.22Å |
| 411 | S | 93.2 | Very high | 90.8 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.4 | -170.4 | -61 | 0 | 0 | 0 | 0 | 112.1 | D406 S409 I440 | D406-S411 PolarHBondContact N-O 3.08Å; D406-S411 PolarHBondContact O-N 3.15Å; D406-S411 VanDerWaalsContact O-N 3.17Å; S409-S411 PolarHBondContact O-N 2.82Å; S409-S411 PolarHBondContact O-OG 3.46Å; S411-I440 CarbonylContact C-O 3.48Å; S411-I440 WeakPolarHBondContact CA-O 2.96Å |
| 412 | I | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.5 | 170.6 | -55.6 | 153.9 | 0 | 0 | 0 | 107.7 | F392 L394 C403 I404 V414 I440 Y442 | F392-I412 HydrophobicContact CB-CD1 3.49Å; F392-I412 VanDerWaalsContact CB-CD1 3.49Å; F392-I412 HydrophobicContact CD1-CD1 3.93Å; F392-I412 HydrophobicContact CD2-CD1 3.93Å; F392-I412 HydrophobicContact CD2-CG1 4.24Å; F392-I412 HydrophobicContact CD2-CG2 4.46Å; F392-I412 HydrophobicContact CG-CD1 3.52Å; F392-I412 HydrophobicContact CG-CG1 4.25Å; F392-I412 WeakPolarHBondContact O-CD1 3.39Å; L394-I412 HydrophobicContact CD1-CG2 3.94Å; C403-I412 HydrophobicContact CB-CG2 3.98Å; I404-I412 CarbonylContact O-C 3.6Å; I404-I412 VanDerWaalsContact O-CA 3.29Å; I404-I412 WeakPolarHBondContact O-CA 3.49Å; I412-V414 HydrophobicContact CG2-CG2 4.33Å; I412-I440 HydrophobicContact CB-CB 4.45Å; I412-I440 PolarHBondContact N-O 3.13Å; I412-I440 WeakPolarHBondContact O-CB 3.32Å; I412-I440 PolarHBondContact O-N 2.78Å; I412-Y442 HydrophobicContact CD1-CD1 3.88Å; I412-Y442 HydrophobicContact CD1-CE1 4.18Å; I412-Y442 HydrophobicContact CG1-CD1 3.62Å; I412-Y442 HydrophobicContact CG1-CE1 3.5Å |
| 413 | Y | 97.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130 | 172.6 | -51.8 | -98.6 | 0 | 0 | 0 | 107.1 | C403 I404 D406 S409 F428 F432 L437 P439 | C403-Y413 CarbonylContact C-O 3.6Å; C403-Y413 WeakPolarHBondContact CA-O 3.28Å; C403-Y413 VanDerWaalsContact CB-O 3.24Å; C403-Y413 WeakPolarHBondContact CB-O 3.35Å; I404-Y413 HydrophobicContact CB-CD2 4.25Å; I404-Y413 HydrophobicContact CG2-CD2 4.22Å; I404-Y413 PolarHBondContact N-O 3.38Å; I404-Y413 PolarHBondContact O-N 2.8Å; D406-Y413 HydrophobicContact CB-CE2 3.99Å; S409-Y413 PolarHBondContact OG-OH 3.27Å; Y413-F428 WeakPolarHBondContact O-CZ 3.5Å; Y413-F432 HydrophobicContact CD1-CD2 4.48Å; Y413-F432 AromaticContact CD2-CD2 3.97Å; Y413-F432 HydrophobicContact CD2-CD2 3.97Å; Y413-F432 AromaticContact CD2-CE2 3.74Å; Y413-F432 HydrophobicContact CD2-CE2 3.74Å; Y413-F432 HydrophobicContact CE2-CD2 4.15Å; Y413-F432 AromaticContact CE2-CE2 3.59Å; Y413-F432 HydrophobicContact CE2-CE2 3.59Å; Y413-F432 HydrophobicContact CG-CD2 4.17Å; Y413-F432 HydrophobicContact CG-CE2 4.39Å; Y413-L437 HydrophobicContact CD1-CB 3.54Å; Y413-L437 HydrophobicContact CD1-CD1 4.27Å; Y413-L437 HydrophobicContact CE1-CB 4.27Å; Y413-L437 HydrophobicContact CG-CB 4.33Å; Y413-L437 HydrophobicContact CG-CD1 4.3Å; Y413-P439 HydrophobicContact CD1-CB 4.41Å; Y413-P439 HydrophobicContact CE1-CB 3.7Å |
| 414 | V | 96.6 | Very high | 90.5 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.5 | -177 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | L394 L397 L401 C403 I412 D416 I440 | L394-V414 HydrophobicContact CD1-CG2 3.92Å; L394-V414 HydrophobicContact CD2-CG2 3.8Å; L397-V414 HydrophobicContact CD1-CG1 3.94Å; L397-V414 HydrophobicContact CD1-CG2 4.28Å; L401-V414 HydrophobicContact CD1-CG1 3.7Å; C403-V414 HydrophobicContact CB-CG2 4.45Å; I412-V414 HydrophobicContact CG2-CG2 4.33Å; V414-D416 PolarHBondContact O-N 3.15Å; V414-I440 HydrophobicContact CB-CD1 4.46Å; V414-I440 HydrophobicContact CG2-CD1 3.76Å |
| 415 | C | 95 | Very high | 90.4 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | trans | -71.7 | 121 | 170.4 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | V402 H417 F428 | V402-C415 HydrophobicContact CB-CB 3.94Å; V402-C415 HydrophobicContact CG1-CB 4.44Å; V402-C415 VanDerWaalsContact O-CB 3.23Å; V402-C415 WeakPolarHBondContact O-CB 3.25Å; V402-C415 PolarHBondContact O-N 2.99Å; C415-H417 VanDerWaalsContact C-N 3.27Å; C415-H417 PolarHBondContact O-N 3.11Å; C415-F428 HydrophobicContact CB-CD1 4.05Å; C415-F428 HydrophobicContact CB-CD2 4.06Å; C415-F428 HydrophobicContact CB-CE1 4.04Å; C415-F428 HydrophobicContact CB-CE2 4.06Å; C415-F428 HydrophobicContact CB-CG 4.06Å; C415-F428 HydrophobicContact CB-CZ 4.07Å | ||
| 416 | D | 87.8 | Confident | 90.3 | Very high | 139 Ų | 139 | 47.6 Ų | 47.6 | 74% | 0.743 | 25% | 0.254 | S | S | * | . | trans | -86.4 | 8.2 | -175.2 | 61.3 | -18.1 | 0 | 0 | 0 | 113.7 | V414 | V414-D416 PolarHBondContact O-N 3.15Š| ||
| 417 | H | 86.8 | Confident | 90.3 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | trans | -97.8 | 129.3 | -176.3 | -160 | -76.3 | 0 | 0 | 0 | 112.1 | C415 N419 I424 | C415-H417 VanDerWaalsContact C-N 3.27Å; C415-H417 PolarHBondContact O-N 3.11Å; H417-N419 PolarHBondContact ND1-N 2.81Å; H417-N419 PolarHBondContact ND1-O 2.94Å; H417-N419 PolarHBondContact O-N 3.04Å; H417-I424 HydrophobicContact CB-CD1 4.47Å; H417-I424 HydrophobicContact CB-CG2 3.66Å; H417-I424 WeakPolarHBondContact CE1-CD1 3.22Å; H417-I424 WeakPolarHBondContact ND1-CD1 3.22Å | ||
| 418 | P | 75 | Confident | 90.5 | Very high | 102 Ų | 102 | 51.7 Ų | 51.7 | 66% | 0.662 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -70.7 | -27.7 | -173.3 | 27 | -36.1 | 0 | 0 | 0 | 114.4 | ||
| 419 | N | 80.8 | Confident | 90.9 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -105.2 | 116.3 | 177.4 | -63.5 | -38.3 | 0 | 0 | 0 | 109.2 | H417 I424 | H417-N419 PolarHBondContact ND1-N 2.81Å; H417-N419 PolarHBondContact ND1-O 2.94Å; H417-N419 PolarHBondContact O-N 3.04Å; N419-I424 WeakPolarHBondContact O-CD1 3.35Å |
| 420 | V | 82.3 | Confident | 91.1 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | trans | -75.4 | 126.5 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 109 | L336 P400 V402 I425 | L336-V420 HydrophobicContact CD1-CG1 4.14Å; L336-V420 HydrophobicContact CD1-CG2 4.46Å; P400-V420 HydrophobicContact CB-CG2 4.17Å; P400-V420 HydrophobicContact CG-CG2 3.96Å; V402-V420 HydrophobicContact CG2-CB 4.45Å; V402-V420 HydrophobicContact CG2-CG1 3.73Å; V402-V420 HydrophobicContact CG2-CG2 3.78Å; V420-I425 HydrophobicContact CG1-CD1 3.71Å; V420-I425 HydrophobicContact CG1-CG1 4.15Å | ||
| 421 | S | 86.9 | Confident | 91.4 | Very high | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | trans | -144.9 | 166.4 | 171.4 | 76.3 | 0 | 0 | 0 | 0 | 110.1 | D423 I424 I425 | S421-D423 PolarHBondContact O-N 3.44Å; S421-I424 PolarHBondContact O-N 2.83Å; S421-I424 VanDerWaalsContact OG-CD1 3.26Å; S421-I424 WeakPolarHBondContact OG-CD1 3.32Å; S421-I424 WeakPolarHBondContact OG-CG1 3.48Å; S421-I424 PolarHBondContact OG-N 3.2Å; S421-I425 WeakPolarHBondContact O-CG1 3.44Å; S421-I425 PolarHBondContact O-N 2.9Å | ||
| 422 | E | 89.8 | Confident | 91.6 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57 | -48.2 | 179.4 | -167.4 | -166.6 | 142.2 | 0 | 0 | 112.2 | I361 I424 I425 R426 | I361-E422 HydrophobicContact CD1-CG 3.81Å; I361-E422 WeakPolarHBondContact CD1-O 3.48Å; I361-E422 HydrophobicContact CG1-CG 3.77Å; E422-I424 VanDerWaalsContact C-N 3.28Å; E422-I424 PolarHBondContact O-N 2.88Å; E422-I425 PolarHBondContact O-N 2.9Å; E422-R426 VanDerWaalsContact O-CG 3.3Å; E422-R426 WeakPolarHBondContact O-CG 3.41Å; E422-R426 PolarHBondContact O-N 3.49Å; E422-R426 IonicContact OE1-CZ 3.29Å; E422-R426 IonicContact OE1-NE 3.76Å; E422-R426 PolarHBondContact OE1-NE 3.26Å; E422-R426 IonicContact OE1-NH2 3.85Å; E422-R426 PolarHBondContact OE1-NH2 2.99Å |
| 423 | D | 91.8 | Very high | 91.3 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 179.6 | -175.7 | 63.2 | 0 | 0 | 0 | 112.1 | S421 R426 Q427 | S421-D423 PolarHBondContact O-N 3.44Å; D423-R426 WeakPolarHBondContact O-CB 3.25Å; D423-R426 PolarHBondContact O-N 3.3Å; D423-Q427 VanDerWaalsContact O-CG 3.32Å; D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.23Å; D423-Q427 PolarHBondContact OD2-NE2 3.23Å |
| 424 | I | 93.1 | Very high | 91 | Very high | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 180 | -69.9 | 166 | 0 | 0 | 0 | 111 | H417 N419 S421 E422 R426 Q427 F428 | H417-I424 HydrophobicContact CB-CD1 4.47Å; H417-I424 HydrophobicContact CB-CG2 3.66Å; H417-I424 WeakPolarHBondContact CE1-CD1 3.22Å; H417-I424 WeakPolarHBondContact ND1-CD1 3.22Å; N419-I424 WeakPolarHBondContact O-CD1 3.35Å; S421-I424 PolarHBondContact O-N 2.83Å; S421-I424 VanDerWaalsContact OG-CD1 3.26Å; S421-I424 WeakPolarHBondContact OG-CD1 3.32Å; S421-I424 WeakPolarHBondContact OG-CG1 3.48Å; S421-I424 PolarHBondContact OG-N 3.2Å; E422-I424 VanDerWaalsContact C-N 3.28Å; E422-I424 PolarHBondContact O-N 2.88Å; I424-R426 VanDerWaalsContact C-N 3.31Å; I424-R426 PolarHBondContact O-N 3.29Å; I424-Q427 PolarHBondContact O-N 3.02Å; I424-F428 VanDerWaalsContact O-CB 3.27Å; I424-F428 WeakPolarHBondContact O-CB 3.24Å; I424-F428 PolarHBondContact O-N 3.02Å |
| 425 | I | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 176.1 | -63.4 | 158.6 | 0 | 0 | 0 | 110.1 | F357 L358 I361 V402 V420 S421 E422 F428 L429 | F357-I425 HydrophobicContact CB-CD1 4.42Å; L358-I425 HydrophobicContact CD2-CD1 3.97Å; I361-I425 HydrophobicContact CD1-CB 3.43Å; I361-I425 VanDerWaalsContact CD1-CB 3.43Å; I361-I425 HydrophobicContact CD1-CD1 4.19Å; I361-I425 HydrophobicContact CD1-CG1 4.43Å; I361-I425 HydrophobicContact CD1-CG2 3.41Å; I361-I425 VanDerWaalsContact CD1-CG2 3.41Å; I361-I425 HydrophobicContact CG2-CG2 4.37Å; V402-I425 HydrophobicContact CG2-CG1 4.32Å; V420-I425 HydrophobicContact CG1-CD1 3.71Å; V420-I425 HydrophobicContact CG1-CG1 4.15Å; S421-I425 WeakPolarHBondContact O-CG1 3.44Å; S421-I425 PolarHBondContact O-N 2.9Å; E422-I425 PolarHBondContact O-N 2.9Å; I425-F428 PolarHBondContact O-N 3.44Å; I425-L429 HydrophobicContact CG2-CD1 4.26Å; I425-L429 WeakPolarHBondContact O-CB 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.33Å; I425-L429 PolarHBondContact O-N 3.33Å |
| 426 | R | 95 | Very high | 90.5 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174 | -70.1 | 167.6 | 179.1 | -71.8 | -3.2 | 112.2 | I361 E364 E422 D423 I424 F428 L429 T430 | I361-R426 HydrophobicContact CD1-CG 4.07Å; I361-R426 HydrophobicContact CG1-CG 4.15Å; E364-R426 IonicContact OE1-CZ 2.68Å; E364-R426 IonicContact OE1-NH1 3.77Å; E364-R426 PolarHBondContact OE1-NH1 2.81Å; E364-R426 IonicContact OE1-NH2 3.58Å; E364-R426 PolarHBondContact OE1-NH2 2.99Å; E364-R426 IonicContact OE2-CZ 3.2Å; E364-R426 IonicContact OE2-NH1 3.08Å; E364-R426 PolarHBondContact OE2-NH1 3.22Å; E364-R426 IonicContact OE2-NH2 2.9Å; E422-R426 VanDerWaalsContact O-CG 3.3Å; E422-R426 WeakPolarHBondContact O-CG 3.41Å; E422-R426 PolarHBondContact O-N 3.49Å; E422-R426 IonicContact OE1-CZ 3.29Å; E422-R426 IonicContact OE1-NE 3.76Å; E422-R426 PolarHBondContact OE1-NE 3.26Å; E422-R426 IonicContact OE1-NH2 3.85Å; E422-R426 PolarHBondContact OE1-NH2 2.99Å; D423-R426 WeakPolarHBondContact O-CB 3.25Å; D423-R426 PolarHBondContact O-N 3.3Å; I424-R426 VanDerWaalsContact C-N 3.31Å; I424-R426 PolarHBondContact O-N 3.29Å; R426-F428 VanDerWaalsContact C-N 3.33Å; R426-L429 PolarHBondContact O-N 2.94Å; R426-T430 WeakPolarHBondContact O-CB 3.22Å; R426-T430 PolarHBondContact O-N 3.21Å; R426-T430 PolarHBondContact O-OG1 3.28Å; R426-T430 VanDerWaalsContact O-OG1 3.08Å |
| 427 | Q | 95.1 | Very high | 90.8 | Very high | 98 Ų | 98 | 63 Ų | 63 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.3 | -71.2 | -179.1 | 29.8 | 0 | 0 | 111.3 | D423 I424 L429 T430 K431 | D423-Q427 VanDerWaalsContact O-CG 3.32Å; D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.23Å; D423-Q427 PolarHBondContact OD2-NE2 3.23Å; I424-Q427 PolarHBondContact O-N 3.02Å; Q427-L429 PolarHBondContact O-N 3.32Å; Q427-T430 PolarHBondContact O-N 2.99Å; Q427-K431 WeakPolarHBondContact O-CG 3.4Å; Q427-K431 PolarHBondContact O-N 2.84Å |
| 428 | F | 96.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.5 | -177.8 | -126.7 | 0 | 0 | 0 | 112 | V402 I404 Y413 C415 I424 I425 R426 K431 F432 L437 | V402-F428 HydrophobicContact CG1-CD1 4.11Å; V402-F428 HydrophobicContact CG1-CE1 4.08Å; I404-F428 HydrophobicContact CB-CE1 4.48Å; I404-F428 HydrophobicContact CD1-CD1 3.97Å; I404-F428 HydrophobicContact CD1-CE1 3.55Å; I404-F428 HydrophobicContact CD1-CZ 3.92Å; I404-F428 HydrophobicContact CG1-CD1 4.35Å; I404-F428 HydrophobicContact CG1-CE1 3.62Å; I404-F428 HydrophobicContact CG1-CZ 4.13Å; Y413-F428 WeakPolarHBondContact O-CZ 3.5Å; C415-F428 HydrophobicContact CB-CD1 4.05Å; C415-F428 HydrophobicContact CB-CD2 4.06Å; C415-F428 HydrophobicContact CB-CE1 4.04Å; C415-F428 HydrophobicContact CB-CE2 4.06Å; C415-F428 HydrophobicContact CB-CG 4.06Å; C415-F428 HydrophobicContact CB-CZ 4.07Å; I424-F428 VanDerWaalsContact O-CB 3.27Å; I424-F428 WeakPolarHBondContact O-CB 3.24Å; I424-F428 PolarHBondContact O-N 3.02Å; I425-F428 PolarHBondContact O-N 3.44Å; R426-F428 VanDerWaalsContact C-N 3.33Å; F428-K431 PolarHBondContact O-N 3.49Å; F428-F432 PolarHBondContact O-N 2.97Å; F428-L437 HydrophobicContact CD2-CD1 3.7Å; F428-L437 HydrophobicContact CD2-CD2 3.9Å; F428-L437 HydrophobicContact CD2-CG 4.48Å; F428-L437 HydrophobicContact CE2-CD1 3.34Å; F428-L437 HydrophobicContact CE2-CD2 3.93Å; F428-L437 HydrophobicContact CE2-CG 4.28Å; F428-L437 HydrophobicContact CZ-CD1 4.01Å |
| 429 | L | 96.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.7 | -78.5 | 174.1 | 0 | 0 | 0 | 113.3 | V334 I361 I374 F376 I404 I425 R426 Q427 F432 K433 | V334-L429 HydrophobicContact CG2-CD2 3.64Å; V334-L429 HydrophobicContact CG2-CG 4.44Å; I361-L429 HydrophobicContact CG2-CD1 3.49Å; I361-L429 VanDerWaalsContact CG2-CD1 3.49Å; I374-L429 HydrophobicContact CD1-CD2 3.81Å; F376-L429 HydrophobicContact CE1-CD1 4Å; F376-L429 HydrophobicContact CZ-CD1 3.99Å; I404-L429 HydrophobicContact CD1-CD2 4.07Å; I425-L429 HydrophobicContact CG2-CD1 4.26Å; I425-L429 WeakPolarHBondContact O-CB 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.33Å; I425-L429 PolarHBondContact O-N 3.33Å; R426-L429 PolarHBondContact O-N 2.94Å; Q427-L429 PolarHBondContact O-N 3.32Å; L429-F432 WeakPolarHBondContact O-CB 3.37Å; L429-F432 PolarHBondContact O-N 3.47Å; L429-K433 WeakPolarHBondContact O-CG 3.13Å; L429-K433 PolarHBondContact O-N 3.35Å |
| 430 | T | 95.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.3 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | R426 Q427 F432 K433 Q434 | R426-T430 WeakPolarHBondContact O-CB 3.22Å; R426-T430 PolarHBondContact O-N 3.21Å; R426-T430 PolarHBondContact O-OG1 3.28Å; R426-T430 VanDerWaalsContact O-OG1 3.08Å; Q427-T430 PolarHBondContact O-N 2.99Å; T430-F432 VanDerWaalsContact C-N 3.32Å; T430-F432 PolarHBondContact O-N 2.87Å; T430-K433 PolarHBondContact O-N 2.78Å; T430-Q434 WeakPolarHBondContact O-CB 3.35Å; T430-Q434 WeakPolarHBondContact O-CG 3.31Å; T430-Q434 PolarHBondContact O-N 2.8Å |
| 431 | K | 96.2 | Very high | 93.2 | Very high | 79 Ų | 79 | 64.5 Ų | 64.5 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.4 | -71.3 | -178.3 | 178.5 | 179.8 | 0 | 112.1 | Q427 F428 Q434 D435 E436 L437 | Q427-K431 WeakPolarHBondContact O-CG 3.4Å; Q427-K431 PolarHBondContact O-N 2.84Å; F428-K431 PolarHBondContact O-N 3.49Å; K431-Q434 CarbonylContact O-C 3.55Å; K431-Q434 PolarHBondContact O-N 3.35Å; K431-D435 PolarHBondContact O-N 3.47Å; K431-D435 VanDerWaalsContact O-N 3.09Å; K431-E436 HydrophobicContact CB-CB 4.17Å; K431-E436 HydrophobicContact CG-CB 4.44Å; K431-E436 PolarHBondContact O-N 3.25Å; K431-L437 HydrophobicContact CB-CD2 3.59Å; K431-L437 HydrophobicContact CB-CG 3.81Å; K431-L437 HydrophobicContact CD-CD2 3.98Å; K431-L437 HydrophobicContact CG-CD2 4.46Å |
| 432 | F | 95.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.7 | 176 | -107.2 | 0 | 0 | 0 | 112.1 | V332 I374 I404 D406 Y413 F428 L429 T430 Q434 D435 L437 | V332-F432 HydrophobicContact CG1-CE1 3.81Å; V332-F432 HydrophobicContact CG1-CZ 3.73Å; I374-F432 HydrophobicContact CD1-CD1 4.32Å; I374-F432 HydrophobicContact CD1-CE1 4.31Å; I404-F432 HydrophobicContact CD1-CB 3.6Å; I404-F432 HydrophobicContact CD1-CD1 4.05Å; I404-F432 HydrophobicContact CD1-CD2 3.87Å; I404-F432 HydrophobicContact CD1-CG 3.56Å; I404-F432 HydrophobicContact CG2-CD2 4.12Å; I404-F432 HydrophobicContact CG2-CE1 4.32Å; I404-F432 HydrophobicContact CG2-CE2 3.76Å; I404-F432 HydrophobicContact CG2-CZ 3.87Å; D406-F432 HydrophobicContact CB-CZ 4.44Å; Y413-F432 HydrophobicContact CD1-CD2 4.48Å; Y413-F432 AromaticContact CD2-CD2 3.97Å; Y413-F432 HydrophobicContact CD2-CD2 3.97Å; Y413-F432 AromaticContact CD2-CE2 3.74Å; Y413-F432 HydrophobicContact CD2-CE2 3.74Å; Y413-F432 HydrophobicContact CE2-CD2 4.15Å; Y413-F432 AromaticContact CE2-CE2 3.59Å; Y413-F432 HydrophobicContact CE2-CE2 3.59Å; Y413-F432 HydrophobicContact CG-CD2 4.17Å; Y413-F432 HydrophobicContact CG-CE2 4.39Å; F428-F432 PolarHBondContact O-N 2.97Å; L429-F432 WeakPolarHBondContact O-CB 3.37Å; L429-F432 PolarHBondContact O-N 3.47Å; T430-F432 VanDerWaalsContact C-N 3.32Å; T430-F432 PolarHBondContact O-N 2.87Å; F432-Q434 PolarHBondContact O-N 3.1Å; F432-D435 PolarHBondContact O-N 2.94Å; F432-L437 HydrophobicContact CB-CD1 3.61Å; F432-L437 HydrophobicContact CB-CG 4.49Å; F432-L437 HydrophobicContact CD2-CD1 4.3Å; F432-L437 HydrophobicContact CG-CD1 4.45Å |
| 433 | K | 90.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -27.2 | 178.2 | -72.1 | 174.9 | -175.9 | 178.5 | 0 | 112.6 | H365 L429 T430 | H365-K433 PolarHBondContact NE2-NZ 2.89Å; L429-K433 WeakPolarHBondContact O-CG 3.13Å; L429-K433 PolarHBondContact O-N 3.35Å; T430-K433 PolarHBondContact O-N 2.78Å |
| 434 | Q | 90.7 | Very high | 92.1 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.5 | 177.7 | -69.3 | 171 | -25.5 | 0 | 0 | 113.8 | T430 K431 F432 E436 | T430-Q434 WeakPolarHBondContact O-CB 3.35Å; T430-Q434 WeakPolarHBondContact O-CG 3.31Å; T430-Q434 PolarHBondContact O-N 2.8Å; K431-Q434 CarbonylContact O-C 3.55Å; K431-Q434 PolarHBondContact O-N 3.35Å; F432-Q434 PolarHBondContact O-N 3.1Å; Q434-E436 VanDerWaalsContact C-N 3.26Å; Q434-E436 HydrophobicContact CB-CG 3.84Å; Q434-E436 PolarHBondContact O-N 3.23Å; Q434-E436 PolarHBondContact OE1-OE1 3.33Å |
| 435 | D | 87.8 | Confident | 90.6 | Very high | 81 Ų | 81 | 70.6 Ų | 70.6 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 32.2 | -177.5 | -152.2 | 38.9 | 0 | 0 | 0 | 113.3 | F124 K431 F432 | F124-D435 HydrophobicContact CD2-CB 4.29Å; F124-D435 HydrophobicContact CE2-CB 4.48Å; K431-D435 PolarHBondContact O-N 3.47Å; K431-D435 VanDerWaalsContact O-N 3.09Å; F432-D435 PolarHBondContact O-N 2.94Å |
| 436 | E | 92.8 | Very high | 88.8 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | trans | -95 | -5.7 | -178.3 | -65 | -176.6 | 175.4 | 0 | 0 | 113.5 | K431 Q434 | K431-E436 HydrophobicContact CB-CB 4.17Å; K431-E436 HydrophobicContact CG-CB 4.44Å; K431-E436 PolarHBondContact O-N 3.25Å; Q434-E436 VanDerWaalsContact C-N 3.26Å; Q434-E436 HydrophobicContact CB-CG 3.84Å; Q434-E436 PolarHBondContact O-N 3.23Å; Q434-E436 PolarHBondContact OE1-OE1 3.33Å | ||
| 437 | L | 95.3 | Very high | 86.8 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -89.1 | 144.6 | -179.5 | -62.5 | 179.4 | 0 | 0 | 0 | 111.6 | Y413 F428 K431 F432 P439 | Y413-L437 HydrophobicContact CD1-CB 3.54Å; Y413-L437 HydrophobicContact CD1-CD1 4.27Å; Y413-L437 HydrophobicContact CE1-CB 4.27Å; Y413-L437 HydrophobicContact CG-CB 4.33Å; Y413-L437 HydrophobicContact CG-CD1 4.3Å; F428-L437 HydrophobicContact CD2-CD1 3.7Å; F428-L437 HydrophobicContact CD2-CD2 3.9Å; F428-L437 HydrophobicContact CD2-CG 4.48Å; F428-L437 HydrophobicContact CE2-CD1 3.34Å; F428-L437 HydrophobicContact CE2-CD2 3.93Å; F428-L437 HydrophobicContact CE2-CG 4.28Å; F428-L437 HydrophobicContact CZ-CD1 4.01Å; K431-L437 HydrophobicContact CB-CD2 3.59Å; K431-L437 HydrophobicContact CB-CG 3.81Å; K431-L437 HydrophobicContact CD-CD2 3.98Å; K431-L437 HydrophobicContact CG-CD2 4.46Å; F432-L437 HydrophobicContact CB-CD1 3.61Å; F432-L437 HydrophobicContact CB-CG 4.49Å; F432-L437 HydrophobicContact CD2-CD1 4.3Å; F432-L437 HydrophobicContact CG-CD1 4.45Å; L437-P439 WeakPolarHBondContact O-CD 3.21Å |
| 438 | T | 94.4 | Very high | 84.8 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 73% | 0.73 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 120 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 439 | P | 93.8 | Very high | 82.3 | Confident | 67 Ų | 67 | 76 Ų | 76 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 137.9 | 177.7 | 29.8 | -33.6 | 0 | 0 | 0 | 112.1 | Y413 L437 | Y413-P439 HydrophobicContact CD1-CB 4.41Å; Y413-P439 HydrophobicContact CE1-CB 3.7Å; L437-P439 WeakPolarHBondContact O-CD 3.21Å |
| 440 | I | 94.7 | Very high | 79.9 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 36% | 0.359 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 110.3 | 167.1 | -55.6 | 176.2 | 0 | 0 | 0 | 107.6 | L394 S411 I412 V414 | L394-I440 HydrophobicContact CD2-CD1 4.34Å; S411-I440 CarbonylContact C-O 3.48Å; S411-I440 WeakPolarHBondContact CA-O 2.96Å; I412-I440 HydrophobicContact CB-CB 4.45Å; I412-I440 PolarHBondContact N-O 3.13Å; I412-I440 WeakPolarHBondContact O-CB 3.32Å; I412-I440 PolarHBondContact O-N 2.78Å; V414-I440 HydrophobicContact CB-CD1 4.46Å; V414-I440 HydrophobicContact CG2-CD1 3.76Å |
| 441 | P | 91.4 | Very high | 77.1 | Confident | 95 Ų | 95 | 77 Ų | 77 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 142.8 | -179.5 | -24.3 | 33.9 | 0 | 0 | 0 | 112.3 | ||
| 442 | Y | 88.7 | Confident | 74.4 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | trans | -53.7 | 138.2 | 173.5 | -71.7 | -20 | 0 | 0 | 0 | 111.3 | S405 D406 P407 E410 I412 K444 F447 | S405-Y442 PolarHBondContact OG-OH 3.38Å; D406-Y442 PolarHBondContact N-OH 3.23Å; D406-Y442 PolarHBondContact O-OH 3.07Å; P407-Y442 WeakPolarHBondContact CA-OH 3.33Å; P407-Y442 VanDerWaalsContact N-OH 3.13Å; E410-Y442 HydrophobicContact CB-CD2 4.02Å; E410-Y442 HydrophobicContact CB-CE2 4.48Å; E410-Y442 PolarHBondContact O-N 3.22Å; I412-Y442 HydrophobicContact CD1-CD1 3.88Å; I412-Y442 HydrophobicContact CD1-CE1 4.18Å; I412-Y442 HydrophobicContact CG1-CD1 3.62Å; I412-Y442 HydrophobicContact CG1-CE1 3.5Å; Y442-K444 PolarHBondContact O-N 3.09Å; Y442-F447 HydrophobicContact CD1-CD2 4.19Å; Y442-F447 HydrophobicContact CD1-CE2 4.19Å; Y442-F447 HydrophobicContact CD2-CB 4.5Å; Y442-F447 AromaticContact CD2-CD1 3.69Å; Y442-F447 HydrophobicContact CD2-CD1 3.69Å; Y442-F447 AromaticContact CD2-CD2 3.77Å; Y442-F447 HydrophobicContact CD2-CD2 3.77Å; Y442-F447 AromaticContact CD2-CE1 3.72Å; Y442-F447 HydrophobicContact CD2-CE1 3.72Å; Y442-F447 AromaticContact CD2-CE2 3.78Å; Y442-F447 HydrophobicContact CD2-CE2 3.78Å; Y442-F447 AromaticContact CD2-CG 3.72Å; Y442-F447 HydrophobicContact CD2-CG 3.72Å; Y442-F447 AromaticContact CD2-CZ 3.77Å; Y442-F447 HydrophobicContact CD2-CZ 3.77Å; Y442-F447 HydrophobicContact CE1-CD2 4.47Å; Y442-F447 HydrophobicContact CE1-CE2 4.01Å; Y442-F447 HydrophobicContact CE1-CZ 4.45Å; Y442-F447 HydrophobicContact CE2-CD1 4.02Å; Y442-F447 HydrophobicContact CE2-CD2 4.07Å; Y442-F447 AromaticContact CE2-CE1 3.52Å; Y442-F447 HydrophobicContact CE2-CE1 3.52Å; Y442-F447 AromaticContact CE2-CE2 3.57Å; Y442-F447 HydrophobicContact CE2-CE2 3.57Å; Y442-F447 HydrophobicContact CE2-CG 4.27Å; Y442-F447 AromaticContact CE2-CZ 3.28Å; Y442-F447 HydrophobicContact CE2-CZ 3.28Å; Y442-F447 HydrophobicContact CG-CD1 4.46Å; Y442-F447 AromaticContact CG-CD2 3.84Å; Y442-F447 HydrophobicContact CG-CD2 3.84Å; Y442-F447 HydrophobicContact CG-CE2 4.1Å; Y442-F447 HydrophobicContact CG-CG 4.03Å; Y442-F447 AromaticContact CZ-CE2 3.7Å; Y442-F447 AromaticContact CZ-CZ 3.69Å | ||
| 443 | P | 86.4 | Confident | 71.4 | Confident | 37 Ų | 37 | 88.8 Ų | 88.8 | 24% | 0.24 | 47% | 0.474 | C | S | . | . | trans | -62 | 113.1 | 174.5 | -24.4 | 35.3 | 0 | 0 | 0 | 111.4 | V391 S445 K446 F447 | V391-P443 WeakPolarHBondContact O-CG 3.27Å; P443-S445 VanDerWaalsContact C-N 3.28Å; P443-S445 PolarHBondContact O-N 3.36Å; P443-S445 VanDerWaalsContact O-N 3.09Å; P443-K446 HydrophobicContact CB-CB 4.24Å; P443-K446 HydrophobicContact CB-CG 4.47Å; P443-K446 PolarHBondContact O-N 3.4Å; P443-K446 VanDerWaalsContact O-N 3.11Å; P443-F447 PolarHBondContact O-N 3.46Å; P443-F447 VanDerWaalsContact O-N 3.1Å | ||
| 444 | K | 71.5 | Confident | 70.4 | Confident | 200 Ų | 200 | 87.6 Ų | 87.6 | 87% | 0.87 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -51.3 | -36.7 | -170.8 | -68.1 | -175.7 | 178.5 | -179 | 0 | 115.3 | Y442 | Y442-K444 PolarHBondContact O-N 3.09Å |
| 445 | S | 60.4 | Low | 69.4 | Low | 92 Ų | 92 | 86.4 Ų | 86.4 | 64% | 0.643 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -86.2 | -32.6 | -178.8 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | P443 S449 | P443-S445 VanDerWaalsContact C-N 3.28Å; P443-S445 PolarHBondContact O-N 3.36Å; P443-S445 VanDerWaalsContact O-N 3.09Å; S445-S449 WeakPolarHBondContact O-CB 3.41Å; S445-S449 PolarHBondContact O-N 2.88Å; S445-S449 PolarHBondContact O-OG 3.06Å |
| 446 | K | 55.9 | Low | 68.3 | Low | 70 Ų | 70 | 86.7 Ų | 86.7 | 30% | 0.304 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -85.3 | -36.3 | -172.6 | -61.8 | -167.3 | -179.4 | -167.1 | 0 | 112.5 | E390 P443 S449 F450 | E390-K446 WeakPolarHBondContact O-CD 3.45Å; E390-K446 PolarHBondContact O-NZ 2.85Å; E390-K446 IonicContact OE1-NZ 3.38Å; E390-K446 PolarHBondContact OE1-NZ 3.07Å; P443-K446 HydrophobicContact CB-CB 4.24Å; P443-K446 HydrophobicContact CB-CG 4.47Å; P443-K446 PolarHBondContact O-N 3.4Å; P443-K446 VanDerWaalsContact O-N 3.11Å; K446-S449 CarbonylContact O-C 3.57Å; K446-S449 PolarHBondContact O-N 3.42Å; K446-S449 PolarHBondContact O-OG 3.25Å; K446-F450 WeakPolarHBondContact O-CB 3.48Å; K446-F450 PolarHBondContact O-N 3.01Å |
| 447 | F | 53.8 | Low | 66.9 | Low | 38 Ų | 38 | 84.5 Ų | 84.5 | 17% | 0.167 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74.7 | -37.6 | -178.3 | -152.5 | -91.2 | 0 | 0 | 0 | 112.6 | R329 V391 F392 Y442 P443 S449 F450 | R329-F447 HydrophobicContact CG-CE1 4.21Å; R329-F447 HydrophobicContact CG-CZ 4.24Å; V391-F447 HydrophobicContact CG1-CD2 4.34Å; F392-F447 HydrophobicContact CE1-CE2 4Å; Y442-F447 HydrophobicContact CD1-CD2 4.19Å; Y442-F447 HydrophobicContact CD1-CE2 4.19Å; Y442-F447 HydrophobicContact CD2-CB 4.5Å; Y442-F447 AromaticContact CD2-CD1 3.69Å; Y442-F447 HydrophobicContact CD2-CD1 3.69Å; Y442-F447 AromaticContact CD2-CD2 3.77Å; Y442-F447 HydrophobicContact CD2-CD2 3.77Å; Y442-F447 AromaticContact CD2-CE1 3.72Å; Y442-F447 HydrophobicContact CD2-CE1 3.72Å; Y442-F447 AromaticContact CD2-CE2 3.78Å; Y442-F447 HydrophobicContact CD2-CE2 3.78Å; Y442-F447 AromaticContact CD2-CG 3.72Å; Y442-F447 HydrophobicContact CD2-CG 3.72Å; Y442-F447 AromaticContact CD2-CZ 3.77Å; Y442-F447 HydrophobicContact CD2-CZ 3.77Å; Y442-F447 HydrophobicContact CE1-CD2 4.47Å; Y442-F447 HydrophobicContact CE1-CE2 4.01Å; Y442-F447 HydrophobicContact CE1-CZ 4.45Å; Y442-F447 HydrophobicContact CE2-CD1 4.02Å; Y442-F447 HydrophobicContact CE2-CD2 4.07Å; Y442-F447 AromaticContact CE2-CE1 3.52Å; Y442-F447 HydrophobicContact CE2-CE1 3.52Å; Y442-F447 AromaticContact CE2-CE2 3.57Å; Y442-F447 HydrophobicContact CE2-CE2 3.57Å; Y442-F447 HydrophobicContact CE2-CG 4.27Å; Y442-F447 AromaticContact CE2-CZ 3.28Å; Y442-F447 HydrophobicContact CE2-CZ 3.28Å; Y442-F447 HydrophobicContact CG-CD1 4.46Å; Y442-F447 AromaticContact CG-CD2 3.84Å; Y442-F447 HydrophobicContact CG-CD2 3.84Å; Y442-F447 HydrophobicContact CG-CE2 4.1Å; Y442-F447 HydrophobicContact CG-CG 4.03Å; Y442-F447 AromaticContact CZ-CE2 3.7Å; Y442-F447 AromaticContact CZ-CZ 3.69Å; P443-F447 PolarHBondContact O-N 3.46Å; P443-F447 VanDerWaalsContact O-N 3.1Å; F447-S449 VanDerWaalsContact C-N 3.35Å; F447-F450 WeakPolarHBondContact O-CB 3.28Å; F447-F450 PolarHBondContact O-N 3.32Å |
| 448 | A | 52.4 | Low | 65.1 | Low | 94 Ų | 94 | 88.3 Ų | 88.3 | 78% | 0.777 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.8 | -33.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 449 | S | 44.4 | Very low | 63.2 | Low | 83 Ų | 83 | 86.3 Ų | 86.3 | 58% | 0.58 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.2 | 175.9 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | S445 K446 F447 A451 | S445-S449 WeakPolarHBondContact O-CB 3.41Å; S445-S449 PolarHBondContact O-N 2.88Å; S445-S449 PolarHBondContact O-OG 3.06Å; K446-S449 CarbonylContact O-C 3.57Å; K446-S449 PolarHBondContact O-N 3.42Å; K446-S449 PolarHBondContact O-OG 3.25Å; F447-S449 VanDerWaalsContact C-N 3.35Å; S449-A451 PolarHBondContact O-N 3.3Å |
| 450 | F | 46.2 | Very low | 61 | Low | 17 Ų | 17 | 87.6 Ų | 87.6 | 8% | 0.075 | 48% | 0.475 | C | S | . | . | trans | -67 | 72 | 170.2 | -165 | -111.2 | 0 | 0 | 0 | 109.3 | R329 I388 V391 K446 F447 L452 | R329-F450 PolarHBondContact NH1-O 3.47Å; I388-F450 HydrophobicContact CD1-CE1 4.39Å; I388-F450 HydrophobicContact CD1-CE2 3.96Å; I388-F450 HydrophobicContact CD1-CZ 3.43Å; I388-F450 VanDerWaalsContact CD1-CZ 3.43Å; V391-F450 HydrophobicContact CB-CD2 4.13Å; V391-F450 HydrophobicContact CB-CE2 4.31Å; V391-F450 HydrophobicContact CG1-CB 4.37Å; V391-F450 HydrophobicContact CG1-CD2 3.68Å; V391-F450 HydrophobicContact CG1-CE2 4.17Å; V391-F450 HydrophobicContact CG1-CG 4.1Å; V391-F450 HydrophobicContact CG2-CD2 3.46Å; V391-F450 VanDerWaalsContact CG2-CD2 3.46Å; V391-F450 HydrophobicContact CG2-CE2 3.69Å; K446-F450 WeakPolarHBondContact O-CB 3.48Å; K446-F450 PolarHBondContact O-N 3.01Å; F447-F450 WeakPolarHBondContact O-CB 3.28Å; F447-F450 PolarHBondContact O-N 3.32Å; F450-L452 HydrophobicContact CD1-CD1 4.3Å; F450-L452 HydrophobicContact CD1-CG 4.37Å; F450-L452 HydrophobicContact CE1-CB 4.44Å; F450-L452 HydrophobicContact CE1-CD1 3.37Å; F450-L452 HydrophobicContact CE1-CG 3.88Å; F450-L452 HydrophobicContact CE2-CD1 4.34Å; F450-L452 HydrophobicContact CZ-CD1 3.38Å; F450-L452 HydrophobicContact CZ-CG 3.97Å; F450-L452 PolarHBondContact O-N 2.98Å | ||
| 451 | A | 37.1 | Very low | 58.4 | Low | 77 Ų | 77 | 89 Ų | 89 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | trans | -75.2 | 73.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S449 R453 | S449-A451 PolarHBondContact O-N 3.3Å; A451-R453 VanDerWaalsContact C-N 3.3Å | ||
| 452 | L | 38.5 | Very low | 55.7 | Low | 33 Ų | 33 | 88.5 Ų | 88.5 | 17% | 0.173 | 47% | 0.473 | C | S | . | . | trans | -99 | 50.7 | 153.1 | -67.2 | -179.9 | 0 | 0 | 0 | 109 | A325 R329 F450 | A325-L452 HydrophobicContact CB-CD1 3.63Å; R329-L452 PolarHBondContact NH1-O 2.98Å; R329-L452 PolarHBondContact NH2-O 3.07Å; F450-L452 HydrophobicContact CD1-CD1 4.3Å; F450-L452 HydrophobicContact CD1-CG 4.37Å; F450-L452 HydrophobicContact CE1-CB 4.44Å; F450-L452 HydrophobicContact CE1-CD1 3.37Å; F450-L452 HydrophobicContact CE1-CG 3.88Å; F450-L452 HydrophobicContact CE2-CD1 4.34Å; F450-L452 HydrophobicContact CZ-CD1 3.38Å; F450-L452 HydrophobicContact CZ-CG 3.97Å; F450-L452 PolarHBondContact O-N 2.98Å | ||
| 453 | R | 32.7 | Very low | 52.7 | Low | 302 Ų | 302 | 94.8 Ų | 94.8 | 100% | 1.14 | 51% | 0.51 | S | S | * | . | trans | -99.5 | 0 | 169.1 | -88.6 | -166.5 | -178.8 | -173.8 | 2.5 | 110.3 | A451 | A451-R453 VanDerWaalsContact C-N 3.3Š|
Retrieved 453 of 453 residues in 552.6 ms
(Link to these results)