| 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 | 32.2 | Very low | 41.9 | Very low | 193 Ų | 193 | 74.8 Ų | 74.8 | 95% | 0.951 | 34% | 0.338 | S | S | * | . | 0 | -34.4 | 0 | -141.5 | 165.7 | -120 | 0 | 0 | 113.2 | R3 Y4 | M1-R3 PolarHBondContact O-N 3.29Å; M1-Y4 PolarHBondContact O-N 3.36Å | |||
| 2 | F | 30.9 | Very low | 43.4 | Very low | 65 Ų | 65 | 74.7 Ų | 74.7 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -63.9 | -25.7 | -173.3 | -75.3 | -82.5 | 0 | 0 | 0 | 119.3 | Y4 V5 E154 T156 V168 | F2-Y4 PolarHBondContact O-N 3.49Å; F2-V5 HydrophobicContact CD1-CG2 4.29Å; F2-V5 PolarHBondContact O-N 3.44Å; F2-V5 VanDerWaalsContact O-N 3.16Å; F2-E154 HydrophobicContact CE2-CB 3.88Å; F2-E154 HydrophobicContact CE2-CG 3.61Å; F2-E154 HydrophobicContact CZ-CB 3.53Å; F2-E154 HydrophobicContact CZ-CG 3.64Å; F2-T156 HydrophobicContact CZ-CG2 4.07Å; F2-V168 HydrophobicContact CD1-CG2 4.49Å; F2-V168 HydrophobicContact CE1-CG2 4.41Å |
| 3 | R | 32.1 | Very low | 45.1 | Very low | 224 Ų | 224 | 76.8 Ų | 76.8 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -62.3 | -12.1 | 172.6 | -90 | -173 | 170.5 | -169.8 | -2.2 | 113.7 | M1 R215 | M1-R3 PolarHBondContact O-N 3.29Å; R3-R215 PolarHBondContact O-NH2 3.15Å |
| 4 | Y | 37 | Very low | 47.3 | Very low | 130 Ų | 130 | 76.9 Ų | 76.9 | 51% | 0.51 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -103.1 | -7.3 | 178.9 | -63.8 | -84.9 | 0 | 0 | 0 | 113.8 | M1 F2 P7 F8 | M1-Y4 PolarHBondContact O-N 3.36Å; F2-Y4 PolarHBondContact O-N 3.49Å; Y4-P7 WeakPolarHBondContact O-CD 3.43Å; Y4-F8 WeakPolarHBondContact O-CD2 3.2Å; Y4-F8 WeakPolarHBondContact O-CE2 3.47Å |
| 5 | V | 43.5 | Very low | 49.5 | Very low | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.5 | -31.7 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | F2 P7 F8 V9 F66 | F2-V5 HydrophobicContact CD1-CG2 4.29Å; F2-V5 PolarHBondContact O-N 3.44Å; F2-V5 VanDerWaalsContact O-N 3.16Å; V5-P7 VanDerWaalsContact C-CD 3.49Å; V5-P7 VanDerWaalsContact C-N 3.34Å; V5-P7 VanDerWaalsContact O-N 3.13Å; V5-F8 PolarHBondContact O-N 2.83Å; V5-V9 HydrophobicContact CG1-CG2 3.88Å; V5-V9 PolarHBondContact O-N 3.34Å; V5-F66 HydrophobicContact CG1-CE2 3.73Å; V5-F66 HydrophobicContact CG1-CZ 3.48Å; V5-F66 VanDerWaalsContact CG1-CZ 3.48Å; V5-F66 HydrophobicContact CG2-CE2 4.33Å |
| 6 | S | 41.2 | Very low | 51.7 | Low | 43 Ų | 43 | 74.3 Ų | 74.3 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -48.7 | -38.1 | -176.9 | 152.3 | 0 | 0 | 0 | 0 | 115.9 | I10 | S6-I10 VanDerWaalsContact O-CD1 3.27Å; S6-I10 WeakPolarHBondContact O-CD1 3.33Å |
| 7 | P | 44.9 | Very low | 53.9 | Low | 7 Ų | 7 | 76.9 Ų | 76.9 | 5% | 0.045 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -97.7 | -15.4 | 174.5 | 4.4 | 17.8 | 0 | 0 | 0 | 112.9 | Y4 V5 V9 F11 R215 | Y4-P7 WeakPolarHBondContact O-CD 3.43Å; V5-P7 VanDerWaalsContact C-CD 3.49Å; V5-P7 VanDerWaalsContact C-N 3.34Å; V5-P7 VanDerWaalsContact O-N 3.13Å; P7-V9 VanDerWaalsContact C-N 3.35Å; P7-F11 HydrophobicContact CB-CE2 4.41Å; P7-F11 WeakPolarHBondContact O-CD2 3.48Å; P7-R215 HydrophobicContact CB-CG 4.38Å; P7-R215 VanDerWaalsContact CD-NH2 3.31Å; P7-R215 HydrophobicContact CG-CG 4.19Å |
| 8 | F | 46.6 | Very low | 55.8 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | -178.6 | -87 | -103 | 0 | 0 | 0 | 110 | Y4 V5 I10 F11 F12 L199 C203 L208 C211 | Y4-F8 WeakPolarHBondContact O-CD2 3.2Å; Y4-F8 WeakPolarHBondContact O-CE2 3.47Å; V5-F8 PolarHBondContact O-N 2.83Å; F8-I10 VanDerWaalsContact C-N 3.29Å; F8-I10 PolarHBondContact O-N 3.24Å; F8-F11 PolarHBondContact O-N 2.96Å; F8-F12 HydrophobicContact CB-CE2 3.97Å; F8-F12 HydrophobicContact CB-CZ 4.21Å; F8-F12 HydrophobicContact CD1-CZ 4.29Å; F8-F12 WeakPolarHBondContact O-CD2 3.38Å; F8-F12 WeakPolarHBondContact O-CE2 3.3Å; F8-L199 HydrophobicContact CD1-CD1 4.33Å; F8-C203 HydrophobicContact CE1-CB 4.03Å; F8-C203 WeakPolarHBondContact CE1-SG 3.45Å; F8-C203 HydrophobicContact CZ-CB 4.36Å; F8-L208 HydrophobicContact CE2-CD2 4.46Å; F8-L208 HydrophobicContact CZ-CD2 3.8Å; F8-C211 HydrophobicContact CE2-CB 4.22Å; F8-C211 HydrophobicContact CZ-CB 4.41Å |
| 9 | V | 49.3 | Very low | 57.6 | Low | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -62.4 | -38.2 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 112 | V5 P7 F11 F66 V68 F147 V149 C160 | V5-V9 HydrophobicContact CG1-CG2 3.88Å; V5-V9 PolarHBondContact O-N 3.34Å; P7-V9 VanDerWaalsContact C-N 3.35Å; V9-F11 PolarHBondContact O-N 3.08Å; V9-F11 VanDerWaalsContact O-N 3.12Å; V9-F66 HydrophobicContact CG2-CZ 4.37Å; V9-V68 HydrophobicContact CG1-CG1 3.89Å; V9-F147 HydrophobicContact CG1-CB 3.72Å; V9-F147 HydrophobicContact CG1-CD1 4.04Å; V9-F147 HydrophobicContact CG1-CD2 4.01Å; V9-F147 HydrophobicContact CG1-CG 3.65Å; V9-V149 HydrophobicContact CG1-CG2 4.15Å; V9-V149 HydrophobicContact CG2-CG2 3.82Å; V9-C160 HydrophobicContact CG1-CB 4.33Å |
| 10 | I | 50.4 | Low | 59.4 | Low | 62 Ų | 62 | 76.5 Ų | 76.5 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -68.6 | -12.3 | -175.9 | -57.5 | 172.8 | 0 | 0 | 0 | 112.2 | S6 F8 G162 | S6-I10 VanDerWaalsContact O-CD1 3.27Å; S6-I10 WeakPolarHBondContact O-CD1 3.33Å; F8-I10 VanDerWaalsContact C-N 3.29Å; F8-I10 PolarHBondContact O-N 3.24Å; I10-G162 WeakPolarHBondContact CG2-O 3.25Å |
| 11 | F | 52.8 | Low | 61.1 | Low | 56 Ų | 56 | 76.5 Ų | 76.5 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -124.2 | 7.9 | -172.7 | -69.1 | -53.7 | 0 | 0 | 0 | 115.7 | P7 F8 V9 S13 R214 Y240 | P7-F11 HydrophobicContact CB-CE2 4.41Å; P7-F11 WeakPolarHBondContact O-CD2 3.48Å; F8-F11 PolarHBondContact O-N 2.96Å; V9-F11 PolarHBondContact O-N 3.08Å; V9-F11 VanDerWaalsContact O-N 3.12Å; F11-S13 PolarHBondContact O-N 3.32Å; F11-R214 HydrophobicContact CE2-CB 3.95Å; F11-R214 HydrophobicContact CE2-CG 4.39Å; F11-R214 HydrophobicContact CZ-CB 3.99Å; F11-R214 HydrophobicContact CZ-CG 4.17Å; F11-Y240 HydrophobicContact CB-CE1 4.39Å; F11-Y240 HydrophobicContact CB-CE2 3.92Å; F11-Y240 WeakPolarHBondContact CB-OH 3.4Å; F11-Y240 AromaticContact CD1-CD2 3.98Å; F11-Y240 HydrophobicContact CD1-CD2 3.98Å; F11-Y240 AromaticContact CD1-CE2 3.18Å; F11-Y240 HydrophobicContact CD1-CE2 3.18Å; F11-Y240 AromaticContact CD1-CZ 3.81Å; F11-Y240 AromaticContact CE1-CE2 3.79Å; F11-Y240 HydrophobicContact CE1-CE2 3.79Å; F11-Y240 AromaticContact CG-CE2 3.66Å; F11-Y240 HydrophobicContact CG-CE2 3.66Å; F11-Y240 AromaticContact CG-CZ 3.78Å; F11-Y240 WeakPolarHBondContact CG-OH 3.45Å |
| 12 | F | 60.1 | Low | 64.1 | Low | 73 Ų | 73 | 69.1 Ų | 69.1 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 128.2 | 172.6 | -71.4 | -71 | 0 | 0 | 0 | 110.7 | F8 V196 L199 | F8-F12 HydrophobicContact CB-CE2 3.97Å; F8-F12 HydrophobicContact CB-CZ 4.21Å; F8-F12 HydrophobicContact CD1-CZ 4.29Å; F8-F12 WeakPolarHBondContact O-CD2 3.38Å; F8-F12 WeakPolarHBondContact O-CE2 3.3Å; F12-V196 HydrophobicContact CB-CG1 3.15Å; F12-V196 HydrophobicContact CD2-CG1 4.39Å; F12-V196 HydrophobicContact CG-CG1 3.97Å; F12-L199 HydrophobicContact CE1-CD1 4.42Å; F12-L199 HydrophobicContact CE1-CG 4.27Å; F12-L199 HydrophobicContact CE2-CD1 4.4Å; F12-L199 HydrophobicContact CZ-CD1 3.58Å; F12-L199 HydrophobicContact CZ-CG 3.88Å |
| 13 | S | 65.4 | Low | 67.2 | Low | 102 Ų | 102 | 67 Ų | 67 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 145.3 | 161.4 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | F11 | F11-S13 PolarHBondContact O-N 3.32Š|
| 14 | L | 75.7 | Confident | 70.4 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 41% | 0.414 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 142.8 | 171.6 | -69.3 | 172.1 | 0 | 0 | 0 | 110.7 | D70 K194 V196 | L14-D70 HydrophobicContact CD2-CB 4.33Å; L14-K194 HydrophobicContact CD1-CD 4.42Å; L14-K194 HydrophobicContact CD2-CB 4.01Å; L14-K194 HydrophobicContact CD2-CD 4.44Å; L14-V196 HydrophobicContact CD2-CG2 4.08Å |
| 15 | A | 80.5 | Confident | 73.3 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 157.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q20 Y195 V196 | A15-Q20 HydrophobicContact CB-CG 4.42Å; A15-Q20 PolarHBondContact O-NE2 3.27Å; A15-Y195 HydrophobicContact CB-CD1 4.38Å; A15-Y195 VanDerWaalsContact CB-O 3.32Å; A15-Y195 WeakPolarHBondContact CB-O 2.94Å; A15-Y195 PolarHBondContact N-O 2.82Å; A15-V196 PolarHBondContact N-O 3.47Å; A15-V196 VanDerWaalsContact N-O 3.15Å |
| 16 | P | 85.4 | Confident | 75.9 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 62% | 0.623 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 145.8 | 171.8 | -24.6 | 34 | 0 | 0 | 0 | 111.2 | F18 S19 Q20 | P16-F18 VanDerWaalsContact C-N 3.28Å; P16-F18 PolarHBondContact O-N 2.85Å; P16-F18 VanDerWaalsContact O-N 3.13Å; P16-S19 WeakPolarHBondContact O-CA 3.49Å; P16-S19 VanDerWaalsContact O-CB 3.28Å; P16-S19 WeakPolarHBondContact O-CB 3.34Å; P16-S19 PolarHBondContact O-N 3.22Å; P16-Q20 PolarHBondContact O-N 3.19Å; P16-Q20 VanDerWaalsContact O-N 3.11Å |
| 17 | F | 87.7 | Confident | 78.6 | Confident | 119 Ų | 119 | 51.9 Ų | 51.9 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -52.3 | -42.1 | -172.4 | -179 | -98.8 | 0 | 0 | 0 | 113.6 | S19 Q20 E21 L42 | F17-S19 PolarHBondContact O-N 2.84Å; F17-Q20 CarbonylContact O-C 3.53Å; F17-Q20 WeakPolarHBondContact O-CA 3.26Å; F17-Q20 WeakPolarHBondContact O-CB 3.47Å; F17-Q20 PolarHBondContact O-N 2.65Å; F17-E21 HydrophobicContact CE1-CB 4.41Å; F17-E21 PolarHBondContact O-N 3.11Å; F17-L42 HydrophobicContact CE2-CD1 4.2Å; F17-L42 HydrophobicContact CE2-CG 4.44Å |
| 18 | F | 89.3 | Confident | 81.1 | Confident | 161 Ų | 161 | 58.8 Ų | 58.8 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56 | -37.6 | 174.8 | 178 | -99.2 | 0 | 0 | 0 | 113.2 | P16 A22 | P16-F18 VanDerWaalsContact C-N 3.28Å; P16-F18 PolarHBondContact O-N 2.85Å; P16-F18 VanDerWaalsContact O-N 3.13Å; F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 3.46Å; F18-A22 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 90.2 | Very high | 83.6 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | P16 F17 N23 | P16-S19 WeakPolarHBondContact O-CA 3.49Å; P16-S19 VanDerWaalsContact O-CB 3.28Å; P16-S19 WeakPolarHBondContact O-CB 3.34Å; P16-S19 PolarHBondContact O-N 3.22Å; F17-S19 PolarHBondContact O-N 2.84Å; S19-N23 PolarHBondContact O-N 2.72Å; S19-N23 PolarHBondContact O-ND2 2.97Å |
| 20 | Q | 93.3 | Very high | 85.9 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 173.4 | -61.3 | -176.6 | 46.8 | 0 | 0 | 111 | A15 P16 F17 A22 N23 A24 L42 Y195 | A15-Q20 HydrophobicContact CB-CG 4.42Å; A15-Q20 PolarHBondContact O-NE2 3.27Å; P16-Q20 PolarHBondContact O-N 3.19Å; P16-Q20 VanDerWaalsContact O-N 3.11Å; F17-Q20 CarbonylContact O-C 3.53Å; F17-Q20 WeakPolarHBondContact O-CA 3.26Å; F17-Q20 WeakPolarHBondContact O-CB 3.47Å; F17-Q20 PolarHBondContact O-N 2.65Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 2.98Å; Q20-N23 CarbonylContact O-C 3.6Å; Q20-N23 PolarHBondContact O-N 3.18Å; Q20-A24 PolarHBondContact O-N 2.76Å; Q20-L42 HydrophobicContact CB-CD1 4.22Å; Q20-L42 HydrophobicContact CB-CD2 3.98Å; Q20-Y195 WeakPolarHBondContact CG-O 3.46Å |
| 21 | E | 94.7 | Very high | 88.2 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | -179.7 | -177.3 | 179.9 | -166.5 | 0 | 0 | 113 | F17 N23 A24 K59 | F17-E21 HydrophobicContact CE1-CB 4.41Å; F17-E21 PolarHBondContact O-N 3.11Å; E21-N23 PolarHBondContact O-N 2.94Å; E21-A24 WeakPolarHBondContact O-CB 3.28Å; E21-A24 PolarHBondContact O-N 3.36Å; E21-K59 PolarHBondContact O-NZ 3.19Å |
| 22 | A | 95 | Very high | 90.4 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -27.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F18 Q20 M60 | F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 3.46Å; F18-A22 VanDerWaalsContact O-N 3.1Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 2.98Å; A22-M60 WeakPolarHBondContact O-CG 3.31Å |
| 23 | N | 96.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 10.2 | -177.3 | -64.6 | -89 | 0 | 0 | 0 | 112.6 | S19 Q20 E21 M60 Y62 Y195 | S19-N23 PolarHBondContact O-N 2.72Å; S19-N23 PolarHBondContact O-ND2 2.97Å; Q20-N23 CarbonylContact O-C 3.6Å; Q20-N23 PolarHBondContact O-N 3.18Å; E21-N23 PolarHBondContact O-N 2.94Å; N23-M60 WeakPolarHBondContact OD1-CG 3.21Å; N23-Y62 PolarHBondContact OD1-OH 2.98Å; N23-Y195 HydrophobicContact CB-CD1 3.94Å; N23-Y195 HydrophobicContact CB-CD2 4.21Å; N23-Y195 HydrophobicContact CB-CG 3.67Å; N23-Y195 WeakPolarHBondContact ND2-CD1 3.42Å |
| 24 | A | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -74.1 | -176.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q20 E21 L42 G58 K59 | Q20-A24 PolarHBondContact O-N 2.76Å; E21-A24 WeakPolarHBondContact O-CB 3.28Å; E21-A24 PolarHBondContact O-N 3.36Å; A24-L42 HydrophobicContact CB-CD2 3.69Å; A24-G58 CarbonylContact O-C 3.48Å; A24-G58 WeakPolarHBondContact O-CA 3.14Å; A24-K59 WeakPolarHBondContact O-CG 3.06Å; A24-K59 PolarHBondContact O-N 3.42Å |
| 25 | W | 98.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 144.4 | 172.1 | -62.5 | 125.7 | 0 | 0 | 0 | 112.5 | P27 V36 L42 F44 I56 K59 P180 V182 V191 L193 | W25-P27 WeakPolarHBondContact O-CD 3.43Å; W25-V36 HydrophobicContact CB-CG2 3.92Å; W25-L42 PolarHBondContact NE1-O 2.97Å; W25-F44 AromaticContact CD1-CD1 3.78Å; W25-F44 HydrophobicContact CD2-CD1 4.14Å; W25-F44 AromaticContact CE2-CD1 3.78Å; W25-F44 HydrophobicContact CG-CD1 4.15Å; W25-F44 HydrophobicContact CZ2-CD1 4.36Å; W25-F44 HydrophobicContact CZ2-CE1 4.18Å; W25-F44 AromaticContact NE1-CD1 3.52Å; W25-I56 HydrophobicContact CB-CD1 3.68Å; W25-I56 HydrophobicContact CB-CG1 4.12Å; W25-I56 HydrophobicContact CD2-CG1 4.47Å; W25-I56 HydrophobicContact CD2-CG2 4.21Å; W25-I56 HydrophobicContact CE3-CG1 4.16Å; W25-I56 HydrophobicContact CE3-CG2 4.02Å; W25-I56 HydrophobicContact CG-CD1 4.24Å; W25-I56 HydrophobicContact CG-CG1 4.49Å; W25-I56 HydrophobicContact CZ3-CG2 4.38Å; W25-K59 VanDerWaalsContact O-CE 3.23Å; W25-K59 WeakPolarHBondContact O-CE 3.11Å; W25-P180 HydrophobicContact CZ3-CB 4.44Å; W25-V182 HydrophobicContact CH2-CG1 3.86Å; W25-V182 HydrophobicContact CH2-CG2 4.18Å; W25-V182 HydrophobicContact CZ2-CG1 4.26Å; W25-V182 HydrophobicContact CZ2-CG2 4.4Å; W25-V191 HydrophobicContact CZ2-CG1 4.48Å; W25-V191 PolarHBondContact NE1-O 3.02Å; W25-L193 HydrophobicContact CD2-CB 4.12Å; W25-L193 HydrophobicContact CD2-CD2 4.12Å; W25-L193 VanDerWaalsContact CE2-CB 3.42Å; W25-L193 HydrophobicContact CE3-CD2 4.02Å; W25-L193 HydrophobicContact CH2-CB 4.22Å; W25-L193 HydrophobicContact CH2-CD1 4.3Å; W25-L193 HydrophobicContact CH2-CD2 3.84Å; W25-L193 HydrophobicContact CH2-CG 4.35Å; W25-L193 HydrophobicContact CZ2-CB 3.51Å; W25-L193 HydrophobicContact CZ2-CD1 4.24Å; W25-L193 HydrophobicContact CZ2-CD2 3.99Å; W25-L193 HydrophobicContact CZ2-CG 4.12Å; W25-L193 HydrophobicContact CZ3-CD2 3.87Å |
| 26 | N | 98.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.2 | -179.5 | -171.5 | -2.2 | 0 | 0 | 0 | 110.6 | N28 D29 R57 K59 | N26-N28 PolarHBondContact O-N 2.9Å; N26-N28 PolarHBondContact OD1-N 2.93Å; N26-D29 HydrophobicContact CB-CB 3.94Å; N26-D29 VanDerWaalsContact ND2-CB 3.32Å; N26-D29 WeakPolarHBondContact ND2-CB 3.41Å; N26-D29 CarbonylContact O-C 3.53Å; N26-D29 PolarHBondContact O-N 3.24Å; N26-D29 VanDerWaalsContact O-N 3.08Å; N26-R57 VanDerWaalsContact CB-O 3.31Å; N26-R57 WeakPolarHBondContact CB-O 2.98Å; N26-R57 PolarHBondContact N-O 3.29Å; N26-K59 HydrophobicContact CB-CB 4.45Å; N26-K59 HydrophobicContact CB-CG 3.83Å |
| 27 | P | 97.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -16 | 178 | 28.3 | -35.2 | 0 | 0 | 0 | 113.3 | W25 C30 V36 | W25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-C30 PolarHBondContact O-SG 3.4Å; P27-C30 VanDerWaalsContact O-SG 3.4Å; P27-V36 HydrophobicContact CB-CB 4.31Å; P27-V36 HydrophobicContact CB-CG2 3.99Å |
| 28 | N | 97.9 | Very high | 96.7 | Very high | 152 Ų | 152 | 55.6 Ų | 55.6 | 81% | 0.813 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -0.3 | 176.8 | -59.5 | -44.3 | 0 | 0 | 0 | 112.9 | N26 | N26-N28 PolarHBondContact O-N 2.9Å; N26-N28 PolarHBondContact OD1-N 2.93Å |
| 29 | D | 98.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 58.7 | -177.3 | -167.1 | 13.1 | 0 | 0 | 0 | 110.5 | N26 R57 I89 | N26-D29 HydrophobicContact CB-CB 3.94Å; N26-D29 VanDerWaalsContact ND2-CB 3.32Å; N26-D29 WeakPolarHBondContact ND2-CB 3.41Å; N26-D29 CarbonylContact O-C 3.53Å; N26-D29 PolarHBondContact O-N 3.24Å; N26-D29 VanDerWaalsContact O-N 3.08Å; D29-R57 VanDerWaalsContact CG-NE 3.32Å; D29-R57 PolarHBondContact O-N 3.16Å; D29-R57 IonicContact OD1-CZ 2.76Å; D29-R57 IonicContact OD1-NE 3.35Å; D29-R57 PolarHBondContact OD1-NE 2.82Å; D29-R57 IonicContact OD1-NH2 3.61Å; D29-R57 PolarHBondContact OD1-NH2 2.83Å; D29-R57 IonicContact OD2-CZ 3.83Å; D29-R57 IonicContact OD2-NE 3.53Å; D29-R57 PolarHBondContact OD2-NE 3.41Å; D29-R57 IonicContact OD2-NH2 3.18Å; D29-I89 WeakPolarHBondContact OD2-CD1 3.45Å |
| 30 | C | 98.2 | Very high | 97.4 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.5 | -178.4 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | P27 I34 I56 I93 | P27-C30 PolarHBondContact O-SG 3.4Å; P27-C30 VanDerWaalsContact O-SG 3.4Å; C30-I34 HydrophobicContact CB-CB 4.46Å; C30-I34 HydrophobicContact CB-CG2 4.26Å; C30-I34 PolarHBondContact SG-O 2.79Å; C30-I56 HydrophobicContact CB-CB 3.71Å; C30-I56 HydrophobicContact CB-CD1 3.48Å; C30-I56 VanDerWaalsContact CB-CD1 3.48Å; C30-I56 HydrophobicContact CB-CG1 3.51Å; C30-I93 VanDerWaalsContact O-CD1 3.29Å; C30-I93 WeakPolarHBondContact O-CD1 3.32Å |
| 31 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -55 | 145.7 | 168.4 | 176 | 0 | 0 | 0 | 0 | 109.9 | N33 I34 D54 G55 | S31-N33 PolarHBondContact O-N 3.36Å; S31-N33 PolarHBondContact OG-N 3.19Å; S31-I34 PolarHBondContact O-N 3.32Å; S31-D54 PolarHBondContact OG-OD1 3.23Å; S31-G55 PolarHBondContact N-O 3.32Å | ||
| 32 | V | 98 | Very high | 97.7 | Very high | 132 Ų | 132 | 51.7 Ų | 51.7 | 80% | 0.8 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.5 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | I34 | V32-I34 VanDerWaalsContact C-N 3.33Š|
| 33 | N | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4.2 | 177.1 | -55.9 | -42.9 | 0 | 0 | 0 | 113.1 | S31 H47 V49 S52 D54 | S31-N33 PolarHBondContact O-N 3.36Å; S31-N33 PolarHBondContact OG-N 3.19Å; N33-H47 PolarHBondContact O-N 2.92Å; N33-V49 HydrophobicContact CB-CG2 4.07Å; N33-S52 PolarHBondContact ND2-OG 3.03Å; N33-D54 HydrophobicContact CB-CB 4.47Å; N33-D54 WeakPolarHBondContact CB-OD1 3.18Å; N33-D54 PolarHBondContact ND2-OD1 3.1Å |
| 34 | I | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140 | 177.8 | -72.2 | 174.2 | 0 | 0 | 0 | 108.8 | C30 S31 V32 F44 H45 R46 D54 I56 | C30-I34 HydrophobicContact CB-CB 4.46Å; C30-I34 HydrophobicContact CB-CG2 4.26Å; C30-I34 PolarHBondContact SG-O 2.79Å; S31-I34 PolarHBondContact O-N 3.32Å; V32-I34 VanDerWaalsContact C-N 3.33Å; I34-F44 HydrophobicContact CB-CD2 4.48Å; I34-F44 HydrophobicContact CD1-CD2 4.14Å; I34-F44 HydrophobicContact CD1-CE2 3.95Å; I34-F44 HydrophobicContact CG1-CD2 4.17Å; I34-F44 HydrophobicContact CG1-CE2 4.32Å; I34-F44 HydrophobicContact CG2-CB 3.71Å; I34-F44 HydrophobicContact CG2-CD2 3.54Å; I34-F44 HydrophobicContact CG2-CE2 4.4Å; I34-F44 HydrophobicContact CG2-CG 3.78Å; I34-H45 WeakPolarHBondContact CA-O 3.48Å; I34-R46 HydrophobicContact CG1-CB 4.04Å; I34-R46 HydrophobicContact CG1-CG 4.03Å; I34-D54 HydrophobicContact CD1-CB 3.68Å; I34-D54 HydrophobicContact CG1-CB 3.97Å; I34-I56 HydrophobicContact CD1-CB 4.42Å; I34-I56 HydrophobicContact CD1-CG2 4.3Å; I34-I56 HydrophobicContact CG2-CB 4.27Å; I34-I56 HydrophobicContact CG2-CD1 3.85Å; I34-I56 HydrophobicContact CG2-CG2 4.41Å |
| 35 | F | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 37% | 0.368 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150 | 167.1 | 65.4 | -88.6 | 0 | 0 | 0 | 110.4 | K37 F44 H45 H47 | F35-K37 HydrophobicContact CE2-CG 4.43Å; F35-F44 CarbonylContact O-C 3.39Å; F35-F44 VanDerWaalsContact O-CA 3.26Å; F35-F44 WeakPolarHBondContact O-CA 3.23Å; F35-F44 WeakPolarHBondContact O-CB 3.42Å; F35-H45 HydrophobicContact CD1-CB 4.38Å; F35-H45 HydrophobicContact CD2-CB 4.42Å; F35-H45 HydrophobicContact CE1-CB 3.81Å; F35-H45 AromaticContact CE1-CD2 3.51Å; F35-H45 AromaticContact CE1-CG 3.9Å; F35-H45 HydrophobicContact CE2-CB 3.85Å; F35-H45 HydrophobicContact CZ-CB 3.52Å; F35-H45 AromaticContact CZ-CD2 3.7Å; F35-H45 AromaticContact CZ-CG 3.69Å; F35-H45 PolarHBondContact N-O 2.89Å; F35-H45 PolarHBondContact O-N 2.94Å; F35-H47 AromaticContact CD1-CE1 3.75Å; F35-H47 AromaticContact CD1-NE2 3.51Å; F35-H47 AromaticContact CE1-CE1 3.51Å; F35-H47 AromaticContact CE1-NE2 3.78Å |
| 36 | V | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.6 | 170.1 | 179 | 0 | 0 | 0 | 0 | 108.1 | W25 P27 C41 I56 | W25-V36 HydrophobicContact CB-CG2 3.92Å; P27-V36 HydrophobicContact CB-CB 4.31Å; P27-V36 HydrophobicContact CB-CG2 3.99Å; V36-C41 WeakPolarHBondContact CG1-O 3.42Å; V36-I56 HydrophobicContact CG2-CD1 3.88Å |
| 37 | K | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | trans | -65.8 | 137.9 | -176.3 | -66.6 | 178 | 67.6 | 178.9 | 0 | 111 | F35 D39 D40 C41 T43 H45 E190 | F35-K37 HydrophobicContact CE2-CG 4.43Å; K37-D39 WeakPolarHBondContact CB-OD1 3.42Å; K37-D39 VanDerWaalsContact CE-OD1 3.31Å; K37-D39 WeakPolarHBondContact CE-OD1 3.48Å; K37-D40 HydrophobicContact CB-CB 4.48Å; K37-D40 CarbonylContact O-C 3.55Å; K37-D40 VanDerWaalsContact O-C 3.24Å; K37-D40 PolarHBondContact O-N 2.91Å; K37-C41 PolarHBondContact O-N 2.85Å; K37-T43 HydrophobicContact CD-CG2 3.73Å; K37-T43 PolarHBondContact N-O 3.37Å; K37-H45 HydrophobicContact CG-CB 4.25Å; K37-E190 IonicContact NZ-OE1 3.56Å; K37-E190 IonicContact NZ-OE2 2.83Å; K37-E190 PolarHBondContact NZ-OE2 3.25Å | ||
| 38 | E | 95.3 | Very high | 98.1 | Very high | 201 Ų | 201 | 53.2 Ų | 53.2 | 94% | 0.939 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -70.7 | -34.2 | -180 | -65.1 | -178.8 | 178.2 | 0 | 0 | 112.2 | ||
| 39 | D | 96.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 48.4 Ų | 48.4 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -81.6 | -18 | 177.6 | 63.3 | -44.8 | 0 | 0 | 0 | 113.3 | K37 | K37-D39 WeakPolarHBondContact CB-OD1 3.42Å; K37-D39 VanDerWaalsContact CE-OD1 3.31Å; K37-D39 WeakPolarHBondContact CE-OD1 3.48Å |
| 40 | D | 97.5 | Very high | 98 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -147 | 91.7 | 177.5 | -179.6 | 11.1 | 0 | 0 | 0 | 111.8 | K37 L42 T43 | K37-D40 HydrophobicContact CB-CB 4.48Å; K37-D40 CarbonylContact O-C 3.55Å; K37-D40 VanDerWaalsContact O-C 3.24Å; K37-D40 PolarHBondContact O-N 2.91Å; D40-L42 PolarHBondContact O-N 3.4Å; D40-L42 WeakPolarHBondContact OD1-CB 3.18Å; D40-L42 PolarHBondContact OD1-N 3.06Å; D40-L42 VanDerWaalsContact OD1-N 3.08Å; D40-T43 PolarHBondContact O-N 3.38Å; D40-T43 VanDerWaalsContact OD2-CB 3.28Å; D40-T43 WeakPolarHBondContact OD2-CB 3.21Å; D40-T43 PolarHBondContact OD2-OG1 2.77Å | ||
| 41 | C | 97 | Very high | 98 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.1 | -179.3 | 70.9 | 0 | 0 | 0 | 0 | 115 | V36 K37 | V36-C41 WeakPolarHBondContact CG1-O 3.42Å; K37-C41 PolarHBondContact O-N 2.85Å |
| 42 | L | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10.3 | 177.2 | -52.2 | -176.3 | 0 | 0 | 0 | 112.1 | F17 Q20 A24 W25 D40 T192 L193 K194 | F17-L42 HydrophobicContact CE2-CD1 4.2Å; F17-L42 HydrophobicContact CE2-CG 4.44Å; Q20-L42 HydrophobicContact CB-CD1 4.22Å; Q20-L42 HydrophobicContact CB-CD2 3.98Å; A24-L42 HydrophobicContact CB-CD2 3.69Å; W25-L42 PolarHBondContact NE1-O 2.97Å; D40-L42 PolarHBondContact O-N 3.4Å; D40-L42 WeakPolarHBondContact OD1-CB 3.18Å; D40-L42 PolarHBondContact OD1-N 3.06Å; D40-L42 VanDerWaalsContact OD1-N 3.08Å; L42-T192 HydrophobicContact CB-CG2 3.86Å; L42-T192 CarbonylContact O-C 3.48Å; L42-T192 WeakPolarHBondContact O-CA 3.44Å; L42-L193 PolarHBondContact O-N 2.99Å; L42-K194 HydrophobicContact CD1-CG 4.05Å |
| 43 | T | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.7 | -173.8 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | K37 D40 E190 V191 T192 | K37-T43 HydrophobicContact CD-CG2 3.73Å; K37-T43 PolarHBondContact N-O 3.37Å; D40-T43 PolarHBondContact O-N 3.38Å; D40-T43 VanDerWaalsContact OD2-CB 3.28Å; D40-T43 WeakPolarHBondContact OD2-CB 3.21Å; D40-T43 PolarHBondContact OD2-OG1 2.77Å; T43-E190 HydrophobicContact CG2-CB 3.78Å; T43-E190 HydrophobicContact CG2-CG 4.48Å; T43-V191 WeakPolarHBondContact CA-O 3.33Å; T43-T192 WeakPolarHBondContact OG1-CB 3.36Å; T43-T192 VanDerWaalsContact OG1-CG2 3.3Å; T43-T192 WeakPolarHBondContact OG1-CG2 3.21Å; T43-T192 PolarHBondContact OG1-OG1 2.88Å |
| 44 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 156.6 | 166.5 | 78.9 | -100.4 | 0 | 0 | 0 | 110.9 | W25 I34 F35 R46 I56 V182 E190 V191 | W25-F44 AromaticContact CD1-CD1 3.78Å; W25-F44 HydrophobicContact CD2-CD1 4.14Å; W25-F44 AromaticContact CE2-CD1 3.78Å; W25-F44 HydrophobicContact CG-CD1 4.15Å; W25-F44 HydrophobicContact CZ2-CD1 4.36Å; W25-F44 HydrophobicContact CZ2-CE1 4.18Å; W25-F44 AromaticContact NE1-CD1 3.52Å; I34-F44 HydrophobicContact CB-CD2 4.48Å; I34-F44 HydrophobicContact CD1-CD2 4.14Å; I34-F44 HydrophobicContact CD1-CE2 3.95Å; I34-F44 HydrophobicContact CG1-CD2 4.17Å; I34-F44 HydrophobicContact CG1-CE2 4.32Å; I34-F44 HydrophobicContact CG2-CB 3.71Å; I34-F44 HydrophobicContact CG2-CD2 3.54Å; I34-F44 HydrophobicContact CG2-CE2 4.4Å; I34-F44 HydrophobicContact CG2-CG 3.78Å; F35-F44 CarbonylContact O-C 3.39Å; F35-F44 VanDerWaalsContact O-CA 3.26Å; F35-F44 WeakPolarHBondContact O-CA 3.23Å; F35-F44 WeakPolarHBondContact O-CB 3.42Å; F44-R46 HydrophobicContact CE2-CB 4.39Å; F44-I56 HydrophobicContact CB-CD1 4.09Å; F44-I56 HydrophobicContact CD1-CG2 3.45Å; F44-I56 VanDerWaalsContact CD1-CG2 3.45Å; F44-I56 HydrophobicContact CD2-CG2 4.49Å; F44-I56 HydrophobicContact CE1-CG2 3.5Å; F44-I56 HydrophobicContact CG-CG2 3.97Å; F44-I56 HydrophobicContact CZ-CG2 4.12Å; F44-V182 HydrophobicContact CE1-CG2 3.36Å; F44-V182 HydrophobicContact CZ-CG2 3.55Å; F44-E190 VanDerWaalsContact O-CA 3.23Å; F44-E190 WeakPolarHBondContact O-CA 3.29Å; F44-V191 HydrophobicContact CD1-CB 4.13Å; F44-V191 HydrophobicContact CE1-CB 3.45Å; F44-V191 VanDerWaalsContact CE1-CB 3.45Å; F44-V191 HydrophobicContact CE1-CG1 4.19Å; F44-V191 HydrophobicContact CE1-CG2 3.93Å; F44-V191 HydrophobicContact CE2-CG2 4.29Å; F44-V191 HydrophobicContact CZ-CB 3.66Å; F44-V191 HydrophobicContact CZ-CG2 3.56Å; F44-V191 PolarHBondContact N-O 3.1Å; F44-V191 PolarHBondContact O-N 2.87Å |
| 45 | H | 98.8 | Very high | 98 | Very high | 25 Ų | 25 | 46 Ų | 46 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.8 | 170.7 | -174.6 | 103.3 | 0 | 0 | 0 | 109.6 | I34 F35 K37 H188 C189 E190 | I34-H45 WeakPolarHBondContact CA-O 3.48Å; F35-H45 HydrophobicContact CD1-CB 4.38Å; F35-H45 HydrophobicContact CD2-CB 4.42Å; F35-H45 HydrophobicContact CE1-CB 3.81Å; F35-H45 AromaticContact CE1-CD2 3.51Å; F35-H45 AromaticContact CE1-CG 3.9Å; F35-H45 HydrophobicContact CE2-CB 3.85Å; F35-H45 HydrophobicContact CZ-CB 3.52Å; F35-H45 AromaticContact CZ-CD2 3.7Å; F35-H45 AromaticContact CZ-CG 3.69Å; F35-H45 PolarHBondContact N-O 2.89Å; F35-H45 PolarHBondContact O-N 2.94Å; K37-H45 HydrophobicContact CG-CB 4.25Å; H45-H188 AromaticContact CE1-ND1 3.73Å; H45-H188 AromaticContact NE2-CG 3.97Å; H45-H188 AromaticContact NE2-ND1 3.25Å; H45-H188 PolarHBondContact NE2-ND1 2.78Å; H45-C189 WeakPolarHBondContact CA-O 3.45Å; H45-E190 HydrophobicContact CB-CG 4.26Å; H45-E190 IonicContact CE1-OE1 3.8Å; H45-E190 IonicContact CG-OE1 2.78Å; H45-E190 WeakPolarHBondContact ND1-CG 3.41Å; H45-E190 IonicContact ND1-OE1 2.94Å; H45-E190 PolarHBondContact ND1-OE1 3.46Å |
| 46 | R | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.4 | 175.7 | -175.8 | -178.4 | 168.9 | -78.9 | -7.6 | 111.4 | I34 F44 V49 S52 D54 A184 V185 W186 H188 C189 | I34-R46 HydrophobicContact CG1-CB 4.04Å; I34-R46 HydrophobicContact CG1-CG 4.03Å; F44-R46 HydrophobicContact CE2-CB 4.39Å; R46-V49 PolarHBondContact NH2-O 3.35Å; R46-S52 PolarHBondContact NH2-O 2.86Å; R46-D54 HydrophobicContact CG-CB 4.42Å; R46-D54 IonicContact CZ-OD2 3.24Å; R46-D54 VanDerWaalsContact CZ-OD2 3.24Å; R46-D54 IonicContact NE-OD2 2.81Å; R46-D54 PolarHBondContact NE-OD2 3.33Å; R46-D54 IonicContact NH2-OD2 2.85Å; R46-D54 PolarHBondContact NH2-OD2 2.94Å; R46-A184 WeakPolarHBondContact CD-O 3.47Å; R46-A184 PolarHBondContact NE-O 3.01Å; R46-V185 VanDerWaalsContact NH1-C 3.3Å; R46-V185 PolarHBondContact NH1-O 3.13Å; R46-W186 WeakPolarHBondContact CD-O 3.49Å; R46-W186 PolarHBondContact NH1-O 2.81Å; R46-H188 VanDerWaalsContact O-CA 3.26Å; R46-H188 WeakPolarHBondContact O-CA 3.25Å; R46-H188 PolarHBondContact O-N 2.89Å; R46-C189 VanDerWaalsContact CB-SG 3.55Å; R46-C189 PolarHBondContact N-O 3.24Å |
| 47 | H | 98.5 | Very high | 98 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 38% | 0.375 | 22% | 0.224 | S | C | . | . | trans | -60.8 | 149.5 | 172.3 | -71.3 | -59.5 | 0 | 0 | 0 | 112 | N33 F35 V49 | N33-H47 PolarHBondContact O-N 2.92Å; F35-H47 AromaticContact CD1-CE1 3.75Å; F35-H47 AromaticContact CD1-NE2 3.51Å; F35-H47 AromaticContact CE1-CE1 3.51Å; F35-H47 AromaticContact CE1-NE2 3.78Å; H47-V49 HydrophobicContact CB-CG2 3.99Å; H47-V49 PolarHBondContact O-N 2.82Å | ||
| 48 | P | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | trans | -77.6 | 58.1 | -177.3 | 35.7 | -39.5 | 0 | 0 | 0 | 112.5 | H188 | P48-H188 WeakPolarHBondContact CG-NE2 3.43Š| ||
| 49 | V | 97.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | trans | -85.6 | 123.8 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | N33 R46 H47 | N33-V49 HydrophobicContact CB-CG2 4.07Å; R46-V49 PolarHBondContact NH2-O 3.35Å; H47-V49 HydrophobicContact CB-CG2 3.99Å; H47-V49 PolarHBondContact O-N 2.82Å | ||
| 50 | A | 97.1 | Very high | 98.2 | Very high | 72 Ų | 72 | 31.4 Ų | 31.4 | 60% | 0.595 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 151.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S52 Y98 | A50-S52 PolarHBondContact O-N 3.16Å; A50-Y98 WeakPolarHBondContact CA-OH 3.13Å |
| 51 | Q | 97.2 | Very high | 98.2 | Very high | 86 Ų | 86 | 29.8 Ų | 29.8 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.5 | 179 | -62.9 | -63.6 | -33.9 | 0 | 0 | 112.6 | Y96 G97 Y98 | Q51-Y96 HydrophobicContact CB-CD2 4.47Å; Q51-Y96 HydrophobicContact CB-CE2 3.8Å; Q51-Y96 WeakPolarHBondContact O-CD2 3.32Å; Q51-G97 PolarHBondContact O-N 2.88Å; Q51-Y98 VanDerWaalsContact N-CZ 3.27Å; Q51-Y98 PolarHBondContact N-OH 2.76Å |
| 52 | S | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | -178.9 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | N33 R46 A50 D54 H94 G97 | N33-S52 PolarHBondContact ND2-OG 3.03Å; R46-S52 PolarHBondContact NH2-O 2.86Å; A50-S52 PolarHBondContact O-N 3.16Å; S52-D54 WeakPolarHBondContact CB-OD2 3.47Å; S52-D54 PolarHBondContact OG-OD1 2.99Å; S52-D54 PolarHBondContact OG-OD2 3.06Å; S52-H94 PolarHBondContact OG-CE1 2.67Å; S52-H94 PolarHBondContact OG-ND1 2.87Å; S52-G97 CarbonylContact C-O 3.41Å |
| 53 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.9 | 166.9 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | H94 T95 G97 Y98 C99 L101 V185 | T53-H94 WeakPolarHBondContact O-CA 3.47Å; T53-H94 PolarHBondContact O-ND1 2.93Å; T53-T95 HydrophobicContact CG2-CG2 4.46Å; T53-T95 PolarHBondContact N-O 2.83Å; T53-T95 PolarHBondContact O-N 2.91Å; T53-G97 PolarHBondContact N-O 3.3Å; T53-G97 PolarHBondContact OG1-O 3.18Å; T53-Y98 WeakPolarHBondContact OG1-CA 3.44Å; T53-C99 WeakPolarHBondContact CG2-O 3.43Å; T53-C99 PolarHBondContact OG1-N 3.15Å; T53-C99 PolarHBondContact OG1-O 3.12Å; T53-L101 HydrophobicContact CG2-CB 3.55Å; T53-L101 HydrophobicContact CG2-CD2 4.22Å; T53-V185 HydrophobicContact CG2-CG1 4.03Å; T53-V185 WeakPolarHBondContact OG1-CG1 3.42Å |
| 54 | D | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.3 | -166.7 | -59.5 | -73.2 | 0 | 0 | 0 | 110.3 | S31 N33 I34 R46 S52 H94 S183 A184 | S31-D54 PolarHBondContact OG-OD1 3.23Å; N33-D54 HydrophobicContact CB-CB 4.47Å; N33-D54 WeakPolarHBondContact CB-OD1 3.18Å; N33-D54 PolarHBondContact ND2-OD1 3.1Å; I34-D54 HydrophobicContact CD1-CB 3.68Å; I34-D54 HydrophobicContact CG1-CB 3.97Å; R46-D54 HydrophobicContact CG-CB 4.42Å; R46-D54 IonicContact CZ-OD2 3.24Å; R46-D54 VanDerWaalsContact CZ-OD2 3.24Å; R46-D54 IonicContact NE-OD2 2.81Å; R46-D54 PolarHBondContact NE-OD2 3.33Å; R46-D54 IonicContact NH2-OD2 2.85Å; R46-D54 PolarHBondContact NH2-OD2 2.94Å; S52-D54 WeakPolarHBondContact CB-OD2 3.47Å; S52-D54 PolarHBondContact OG-OD1 2.99Å; S52-D54 PolarHBondContact OG-OD2 3.06Å; D54-H94 IonicContact OD1-CE1 3.8Å; D54-H94 IonicContact OD1-ND1 3.29Å; D54-H94 PolarHBondContact OD1-ND1 2.74Å; D54-S183 CarbonylContact O-C 3.43Å; D54-S183 WeakPolarHBondContact O-CA 3.21Å; D54-A184 PolarHBondContact N-O 3.32Å; D54-A184 PolarHBondContact O-N 3.02Å |
| 55 | G | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 163.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S31 I93 V182 | S31-G55 PolarHBondContact N-O 3.32Å; G55-I93 WeakPolarHBondContact CA-O 3.23Å; G55-I93 PolarHBondContact N-O 3.35Å; G55-V182 WeakPolarHBondContact CA-O 3.43Å |
| 56 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 136.6 | -179.8 | 178.4 | 160 | 0 | 0 | 0 | 108.9 | W25 C30 I34 V36 F44 I181 V182 | W25-I56 HydrophobicContact CB-CD1 3.68Å; W25-I56 HydrophobicContact CB-CG1 4.12Å; W25-I56 HydrophobicContact CD2-CG1 4.47Å; W25-I56 HydrophobicContact CD2-CG2 4.21Å; W25-I56 HydrophobicContact CE3-CG1 4.16Å; W25-I56 HydrophobicContact CE3-CG2 4.02Å; W25-I56 HydrophobicContact CG-CD1 4.24Å; W25-I56 HydrophobicContact CG-CG1 4.49Å; W25-I56 HydrophobicContact CZ3-CG2 4.38Å; C30-I56 HydrophobicContact CB-CB 3.71Å; C30-I56 HydrophobicContact CB-CD1 3.48Å; C30-I56 VanDerWaalsContact CB-CD1 3.48Å; C30-I56 HydrophobicContact CB-CG1 3.51Å; I34-I56 HydrophobicContact CD1-CB 4.42Å; I34-I56 HydrophobicContact CD1-CG2 4.3Å; I34-I56 HydrophobicContact CG2-CB 4.27Å; I34-I56 HydrophobicContact CG2-CD1 3.85Å; I34-I56 HydrophobicContact CG2-CG2 4.41Å; V36-I56 HydrophobicContact CG2-CD1 3.88Å; F44-I56 HydrophobicContact CB-CD1 4.09Å; F44-I56 HydrophobicContact CD1-CG2 3.45Å; F44-I56 VanDerWaalsContact CD1-CG2 3.45Å; F44-I56 HydrophobicContact CD2-CG2 4.49Å; F44-I56 HydrophobicContact CE1-CG2 3.5Å; F44-I56 HydrophobicContact CG-CG2 3.97Å; F44-I56 HydrophobicContact CZ-CG2 4.12Å; I56-I181 WeakPolarHBondContact O-CA 3Å; I56-I181 WeakPolarHBondContact O-CG1 3.4Å; I56-V182 HydrophobicContact CG2-CG2 3.84Å; I56-V182 PolarHBondContact N-O 2.92Å; I56-V182 PolarHBondContact O-N 3.33Å |
| 57 | R | 98.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 5% | 0.045 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 154.3 | 175.2 | -82.7 | -175.4 | -74.9 | -100.8 | -5 | 111.8 | N26 D29 T88 I89 A91 P180 I181 | N26-R57 VanDerWaalsContact CB-O 3.31Å; N26-R57 WeakPolarHBondContact CB-O 2.98Å; N26-R57 PolarHBondContact N-O 3.29Å; D29-R57 VanDerWaalsContact CG-NE 3.32Å; D29-R57 PolarHBondContact O-N 3.16Å; D29-R57 IonicContact OD1-CZ 2.76Å; D29-R57 IonicContact OD1-NE 3.35Å; D29-R57 PolarHBondContact OD1-NE 2.82Å; D29-R57 IonicContact OD1-NH2 3.61Å; D29-R57 PolarHBondContact OD1-NH2 2.83Å; D29-R57 IonicContact OD2-CZ 3.83Å; D29-R57 IonicContact OD2-NE 3.53Å; D29-R57 PolarHBondContact OD2-NE 3.41Å; D29-R57 IonicContact OD2-NH2 3.18Å; R57-T88 PolarHBondContact NH1-O 3.35Å; R57-I89 PolarHBondContact NH1-O 3.38Å; R57-I89 PolarHBondContact NH2-O 2.87Å; R57-A91 PolarHBondContact NH1-O 2.8Å; R57-P180 CarbonylContact C-O 3.34Å; R57-P180 VanDerWaalsContact CA-O 3.27Å; R57-P180 WeakPolarHBondContact CA-O 3.41Å; R57-I181 HydrophobicContact CG-CB 4.11Å; R57-I181 HydrophobicContact CG-CD1 3.82Å; R57-I181 HydrophobicContact CG-CG1 3.96Å |
| 58 | G | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 156.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A24 M60 Y179 P180 | A24-G58 CarbonylContact O-C 3.48Å; A24-G58 WeakPolarHBondContact O-CA 3.14Å; G58-M60 VanDerWaalsContact C-N 3.33Å; G58-M60 PolarHBondContact O-N 3.01Å; G58-Y179 WeakPolarHBondContact O-CD1 3.3Å; G58-P180 PolarHBondContact N-O 2.95Å |
| 59 | K | 98 | Very high | 96.1 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 32% | 0.317 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -62.7 | -39.6 | 178.4 | -68.4 | 173.1 | -173 | 170.8 | 0 | 112.4 | E21 A24 W25 N26 | E21-K59 PolarHBondContact O-NZ 3.19Å; A24-K59 WeakPolarHBondContact O-CG 3.06Å; A24-K59 PolarHBondContact O-N 3.42Å; W25-K59 VanDerWaalsContact O-CE 3.23Å; W25-K59 WeakPolarHBondContact O-CE 3.11Å; N26-K59 HydrophobicContact CB-CB 4.45Å; N26-K59 HydrophobicContact CB-CG 3.83Å |
| 60 | M | 97 | Very high | 96 | Very high | 89 Ų | 89 | 32.2 Ų | 32.2 | 44% | 0.438 | 17% | 0.168 | S | C | . | . | trans | -97.1 | 133.5 | -173.8 | -67.6 | -60.3 | -67.3 | 0 | 0 | 111.7 | A22 N23 G58 Y62 Y179 | A22-M60 WeakPolarHBondContact O-CG 3.31Å; N23-M60 WeakPolarHBondContact OD1-CG 3.21Å; G58-M60 VanDerWaalsContact C-N 3.33Å; G58-M60 PolarHBondContact O-N 3.01Å; M60-Y62 HydrophobicContact CB-CE1 4.16Å; M60-Y62 HydrophobicContact CB-CE2 4Å; M60-Y62 WeakPolarHBondContact CB-OH 2.83Å; M60-Y62 WeakPolarHBondContact O-CE2 3.43Å; M60-Y179 WeakPolarHBondContact O-CD1 3.31Å | ||
| 61 | G | 97.3 | Very high | 96 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | trans | -106.7 | 130.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K177 L178 Y179 | G61-K177 WeakPolarHBondContact O-CE 3.46Å; G61-L178 CarbonylContact C-O 3.35Å; G61-L178 WeakPolarHBondContact CA-O 3.21Å; G61-Y179 VanDerWaalsContact CA-CD1 3.49Å; G61-Y179 VanDerWaalsContact CA-CE1 3.41Å; G61-Y179 VanDerWaalsContact N-CE1 3.29Å | ||
| 62 | Y | 96.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 26 Ų | 26 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -106.7 | 137 | -171.5 | -53 | -86.4 | 0 | 0 | 0 | 111 | N23 M60 H67 W69 L150 K177 L178 P180 | N23-Y62 PolarHBondContact OD1-OH 2.98Å; M60-Y62 HydrophobicContact CB-CE1 4.16Å; M60-Y62 HydrophobicContact CB-CE2 4Å; M60-Y62 WeakPolarHBondContact CB-OH 2.83Å; M60-Y62 WeakPolarHBondContact O-CE2 3.43Å; Y62-H67 AromaticContact CD1-CD2 3.74Å; Y62-H67 AromaticContact CD1-CE1 3.21Å; Y62-H67 WeakPolarHBondContact CD1-CE1 3.03Å; Y62-H67 AromaticContact CD1-CG 3.7Å; Y62-H67 AromaticContact CD1-ND1 3.36Å; Y62-H67 WeakPolarHBondContact CD1-ND1 3.32Å; Y62-H67 AromaticContact CD1-NE2 3.44Å; Y62-H67 WeakPolarHBondContact CD1-NE2 3.45Å; Y62-H67 AromaticContact CE1-CE1 3.67Å; Y62-H67 AromaticContact CE1-ND1 3.45Å; Y62-H67 WeakPolarHBondContact CE1-ND1 3.19Å; Y62-H67 AromaticContact CG-CD2 3.98Å; Y62-H67 AromaticContact CG-NE2 3.99Å; Y62-W69 HydrophobicContact CD2-CH2 4.03Å; Y62-W69 AromaticContact CD2-CZ2 3.95Å; Y62-W69 HydrophobicContact CD2-CZ2 3.95Å; Y62-W69 HydrophobicContact CE1-CZ2 4.32Å; Y62-W69 AromaticContact CE2-CH2 3.87Å; Y62-W69 HydrophobicContact CE2-CH2 3.87Å; Y62-W69 AromaticContact CE2-CZ2 3.31Å; Y62-W69 HydrophobicContact CE2-CZ2 3.31Å; Y62-W69 AromaticContact CZ-CZ2 3.48Å; Y62-W69 VanDerWaalsContact CZ-CZ2 3.48Å; Y62-W69 WeakPolarHBondContact OH-CZ2 3.13Å; Y62-L150 HydrophobicContact CD2-CD2 4.44Å; Y62-K177 WeakPolarHBondContact O-CA 3.29Å; Y62-L178 WeakPolarHBondContact CD2-O 3.36Å; Y62-L178 PolarHBondContact N-O 2.99Å; Y62-L178 PolarHBondContact O-N 2.92Å; Y62-P180 HydrophobicContact CE2-CG 4.13Å |
| 63 | S | 94.8 | Very high | 96.1 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 46% | 0.462 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -126.5 | -7.2 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 114.1 | K176 K177 | S63-K176 WeakPolarHBondContact CA-O 3.32Å; S63-K176 WeakPolarHBondContact CB-O 3.4Å; S63-K176 PolarHBondContact OG-O 3.39Å; S63-K177 WeakPolarHBondContact OG-CA 3.42Å; S63-K177 WeakPolarHBondContact OG-CB 3.44Å |
| 64 | R | 91.6 | Very high | 96.1 | Very high | 187 Ų | 187 | 27.3 Ų | 27.3 | 71% | 0.706 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -158.9 | 158.4 | -179.2 | 64.7 | -179.3 | -177.9 | -163.6 | 0.2 | 109.4 | H67 | R64-H67 PolarHBondContact O-NE2 3.45Š|
| 65 | G | 88.1 | Confident | 96 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 90.2 | 171.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H67 M152 D153 | G65-H67 PolarHBondContact O-CD2 3.39Å; G65-M152 PolarHBondContact O-N 3.43Å; G65-D153 VanDerWaalsContact CA-OD2 3.3Å; G65-D153 WeakPolarHBondContact CA-OD2 3.35Å; G65-D153 PolarHBondContact N-OD1 3.49Å; G65-D153 PolarHBondContact N-OD2 2.99Å |
| 66 | F | 89.9 | Confident | 95.9 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.6 | 177.8 | 179.6 | -84.4 | 0 | 0 | 0 | 109.9 | V5 V9 V68 V149 D151 C198 L199 | V5-F66 HydrophobicContact CG1-CE2 3.73Å; V5-F66 HydrophobicContact CG1-CZ 3.48Å; V5-F66 VanDerWaalsContact CG1-CZ 3.48Å; V5-F66 HydrophobicContact CG2-CE2 4.33Å; V9-F66 HydrophobicContact CG2-CZ 4.37Å; F66-V68 HydrophobicContact CD1-CG2 4.04Å; F66-V68 HydrophobicContact CE1-CG2 3.34Å; F66-V68 HydrophobicContact CZ-CG2 4.05Å; F66-V149 HydrophobicContact CD2-CG1 4.45Å; F66-V149 HydrophobicContact CE1-CG1 4.13Å; F66-V149 HydrophobicContact CE2-CG1 3.48Å; F66-V149 VanDerWaalsContact CE2-CG1 3.48Å; F66-V149 HydrophobicContact CZ-CG1 3.28Å; F66-D151 HydrophobicContact CD2-CB 3.84Å; F66-D151 HydrophobicContact CE2-CB 4.36Å; F66-C198 WeakPolarHBondContact O-CA 3.48Å; F66-C198 PolarHBondContact O-SG 2.93Å; F66-L199 HydrophobicContact CB-CB 4.02Å; F66-L199 HydrophobicContact CD1-CB 4.02Å; F66-L199 HydrophobicContact CD1-CD1 3.85Å; F66-L199 HydrophobicContact CD1-CG 4.42Å; F66-L199 HydrophobicContact CE1-CD1 4.09Å; F66-L199 HydrophobicContact CG-CB 4.31Å; F66-L199 HydrophobicContact CG-CD1 4.45Å; F66-L199 PolarHBondContact O-N 3.19Å; F66-L199 VanDerWaalsContact O-N 3.1Å |
| 67 | H | 92.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.4 | -171.1 | -58.9 | -83.4 | 0 | 0 | 0 | 111.5 | Y62 R64 G65 W69 V149 L150 Y195 C198 | Y62-H67 AromaticContact CD1-CD2 3.74Å; Y62-H67 AromaticContact CD1-CE1 3.21Å; Y62-H67 WeakPolarHBondContact CD1-CE1 3.03Å; Y62-H67 AromaticContact CD1-CG 3.7Å; Y62-H67 AromaticContact CD1-ND1 3.36Å; Y62-H67 WeakPolarHBondContact CD1-ND1 3.32Å; Y62-H67 AromaticContact CD1-NE2 3.44Å; Y62-H67 WeakPolarHBondContact CD1-NE2 3.45Å; Y62-H67 AromaticContact CE1-CE1 3.67Å; Y62-H67 AromaticContact CE1-ND1 3.45Å; Y62-H67 WeakPolarHBondContact CE1-ND1 3.19Å; Y62-H67 AromaticContact CG-CD2 3.98Å; Y62-H67 AromaticContact CG-NE2 3.99Å; R64-H67 PolarHBondContact O-NE2 3.45Å; G65-H67 PolarHBondContact O-CD2 3.39Å; H67-W69 HydrophobicContact CB-CH2 3.28Å; H67-W69 HydrophobicContact CB-CZ2 3.92Å; H67-W69 HydrophobicContact CB-CZ3 3.7Å; H67-V149 WeakPolarHBondContact O-CA 3.23Å; H67-L150 HydrophobicContact CB-CB 4.5Å; H67-L150 PolarHBondContact N-O 3.03Å; H67-L150 PolarHBondContact O-N 3.49Å; H67-Y195 HydrophobicContact CB-CE2 4.18Å; H67-Y195 AromaticContact ND1-CZ 3.9Å; H67-Y195 PolarHBondContact ND1-OH 3.05Å; H67-C198 PolarHBondContact CE1-SG 2.8Å |
| 68 | V | 94 | Very high | 95.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.5 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | V9 F66 F147 M148 V149 Y195 V196 G197 | V9-V68 HydrophobicContact CG1-CG1 3.89Å; F66-V68 HydrophobicContact CD1-CG2 4.04Å; F66-V68 HydrophobicContact CE1-CG2 3.34Å; F66-V68 HydrophobicContact CZ-CG2 4.05Å; V68-F147 HydrophobicContact CG1-CB 4.41Å; V68-F147 HydrophobicContact CG1-CD1 3.99Å; V68-M148 WeakPolarHBondContact CA-O 3.46Å; V68-V149 HydrophobicContact CG1-CG2 4.48Å; V68-V149 HydrophobicContact CG2-CG1 4.38Å; V68-V149 HydrophobicContact CG2-CG2 4.36Å; V68-Y195 VanDerWaalsContact O-CD2 3.23Å; V68-Y195 WeakPolarHBondContact O-CD2 3.15Å; V68-Y195 WeakPolarHBondContact O-CE2 3.46Å; V68-V196 HydrophobicContact CB-CB 4.01Å; V68-V196 HydrophobicContact CB-CG1 4.38Å; V68-V196 HydrophobicContact CG1-CB 3.92Å; V68-V196 HydrophobicContact CG1-CG1 4.23Å; V68-V196 HydrophobicContact CG1-CG2 4.08Å; V68-V196 WeakPolarHBondContact O-CB 3.4Å; V68-V196 PolarHBondContact O-N 2.81Å; V68-G197 PolarHBondContact N-O 2.71Å |
| 69 | W | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.5 | 168.3 | -56.6 | -101.5 | 0 | 0 | 0 | 110.3 | Y62 H67 V71 F147 M148 L150 P180 L193 K194 Y195 | Y62-W69 HydrophobicContact CD2-CH2 4.03Å; Y62-W69 AromaticContact CD2-CZ2 3.95Å; Y62-W69 HydrophobicContact CD2-CZ2 3.95Å; Y62-W69 HydrophobicContact CE1-CZ2 4.32Å; Y62-W69 AromaticContact CE2-CH2 3.87Å; Y62-W69 HydrophobicContact CE2-CH2 3.87Å; Y62-W69 AromaticContact CE2-CZ2 3.31Å; Y62-W69 HydrophobicContact CE2-CZ2 3.31Å; Y62-W69 AromaticContact CZ-CZ2 3.48Å; Y62-W69 VanDerWaalsContact CZ-CZ2 3.48Å; Y62-W69 WeakPolarHBondContact OH-CZ2 3.13Å; H67-W69 HydrophobicContact CB-CH2 3.28Å; H67-W69 HydrophobicContact CB-CZ2 3.92Å; H67-W69 HydrophobicContact CB-CZ3 3.7Å; W69-V71 HydrophobicContact CB-CG2 4.5Å; W69-F147 VanDerWaalsContact O-CA 3.25Å; W69-F147 WeakPolarHBondContact O-CA 3.31Å; W69-M148 HydrophobicContact CD2-CE 4.13Å; W69-M148 HydrophobicContact CE3-CB 4.45Å; W69-M148 HydrophobicContact CE3-CE 3.73Å; W69-M148 HydrophobicContact CE3-CG 4.44Å; W69-M148 HydrophobicContact CZ3-CE 4.17Å; W69-M148 PolarHBondContact N-O 3.23Å; W69-M148 PolarHBondContact O-N 2.97Å; W69-L150 HydrophobicContact CH2-CB 4.05Å; W69-L150 HydrophobicContact CH2-CD2 4.23Å; W69-L150 HydrophobicContact CZ3-CB 3.69Å; W69-P180 HydrophobicContact CD2-CG 4.26Å; W69-P180 HydrophobicContact CH2-CG 4.08Å; W69-P180 HydrophobicContact CZ2-CG 3.55Å; W69-L193 HydrophobicContact CB-CD1 3.52Å; W69-L193 HydrophobicContact CB-CG 4.29Å; W69-L193 HydrophobicContact CG-CD1 3.7Å; W69-L193 HydrophobicContact CG-CG 4.17Å; W69-K194 CarbonylContact C-O 3.51Å; W69-K194 VanDerWaalsContact CA-O 3.26Å; W69-K194 WeakPolarHBondContact CA-O 3.21Å; W69-Y195 AromaticContact CD1-CD2 3.63Å; W69-Y195 HydrophobicContact CD2-CD2 4.21Å; W69-Y195 AromaticContact CE2-CD2 3.67Å; W69-Y195 AromaticContact CE2-CE2 3.94Å; W69-Y195 HydrophobicContact CG-CD2 4.15Å; W69-Y195 HydrophobicContact CZ2-CD2 4.21Å; W69-Y195 HydrophobicContact CZ2-CE2 4.03Å; W69-Y195 AromaticContact NE1-CD2 3.33Å; W69-Y195 VanDerWaalsContact NE1-CD2 3.33Å |
| 70 | D | 95.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.5 | 162.5 | 174.9 | 18.9 | 0 | 0 | 0 | 107.8 | L14 F147 K194 V196 | L14-D70 HydrophobicContact CD2-CB 4.33Å; D70-F147 HydrophobicContact CB-CD1 4.06Å; D70-F147 HydrophobicContact CB-CE1 3.79Å; D70-K194 HydrophobicContact CB-CB 4.21Å; D70-K194 PolarHBondContact N-O 3.1Å; D70-K194 PolarHBondContact O-N 3.12Å; D70-V196 HydrophobicContact CB-CG2 3.82Å |
| 71 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123 | -175.3 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | W69 I84 D145 F146 M148 V191 T192 L193 | W69-V71 HydrophobicContact CB-CG2 4.5Å; V71-I84 HydrophobicContact CB-CD1 4.23Å; V71-I84 HydrophobicContact CG1-CD1 3.65Å; V71-I84 HydrophobicContact CG2-CD1 3.7Å; V71-D145 WeakPolarHBondContact O-CA 3.41Å; V71-F146 HydrophobicContact CB-CD1 4.43Å; V71-F146 HydrophobicContact CB-CD2 4.22Å; V71-F146 HydrophobicContact CB-CE1 4.08Å; V71-F146 HydrophobicContact CB-CE2 3.86Å; V71-F146 HydrophobicContact CB-CZ 3.79Å; V71-F146 WeakPolarHBondContact CB-O 3.49Å; V71-F146 HydrophobicContact CG1-CE1 3.81Å; V71-F146 HydrophobicContact CG1-CE2 4.02Å; V71-F146 HydrophobicContact CG1-CZ 3.47Å; V71-F146 VanDerWaalsContact CG1-CZ 3.47Å; V71-F146 HydrophobicContact CG2-CE2 4.18Å; V71-F146 HydrophobicContact CG2-CZ 4.47Å; V71-F146 PolarHBondContact N-O 3.1Å; V71-F146 PolarHBondContact O-N 3.11Å; V71-M148 HydrophobicContact CG2-CB 4.31Å; V71-V191 HydrophobicContact CG1-CG1 4.25Å; V71-T192 WeakPolarHBondContact CA-O 3.19Å; V71-L193 HydrophobicContact CG2-CD1 3.91Å |
| 72 | C | 98.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.2 | 168.4 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | Q144 D145 V191 T192 | C72-Q144 WeakPolarHBondContact CA-O 3.28Å; C72-D145 PolarHBondContact SG-OD1 3.13Å; C72-V191 WeakPolarHBondContact O-CA 3.44Å; C72-T192 PolarHBondContact N-O 3.29Å; C72-T192 PolarHBondContact O-N 3.13Å |
| 73 | W | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -129.4 | 100.2 | 171.4 | -165.5 | -18.6 | 0 | 0 | 0 | 109.6 | T75 Q77 R78 A82 I84 I113 Q144 F146 V182 A184 V191 | W73-T75 PolarHBondContact O-N 3.36Å; W73-Q77 PolarHBondContact NE1-O 3.34Å; W73-R78 HydrophobicContact CD2-CG 4.45Å; W73-R78 HydrophobicContact CG-CG 4.27Å; W73-R78 PolarHBondContact O-NE 3.18Å; W73-R78 PolarHBondContact O-NH2 2.53Å; W73-R78 VanDerWaalsContact O-NH2 3.12Å; W73-A82 HydrophobicContact CD2-CB 4.47Å; W73-A82 HydrophobicContact CH2-CB 3.51Å; W73-A82 HydrophobicContact CZ2-CB 3.42Å; W73-A82 VanDerWaalsContact CZ2-CB 3.42Å; W73-A82 HydrophobicContact CZ3-CB 4.06Å; W73-I84 HydrophobicContact CZ3-CB 4.49Å; W73-I113 HydrophobicContact CD2-CD1 4.09Å; W73-I113 HydrophobicContact CE3-CD1 3.81Å; W73-I113 HydrophobicContact CZ3-CD1 4.31Å; W73-Q144 PolarHBondContact N-O 3.38Å; W73-Q144 WeakPolarHBondContact O-CA 3.37Å; W73-F146 HydrophobicContact CB-CE1 4.18Å; W73-V182 HydrophobicContact CE3-CG1 4.45Å; W73-V182 HydrophobicContact CH2-CB 4.33Å; W73-V182 HydrophobicContact CZ3-CB 4.05Å; W73-V182 HydrophobicContact CZ3-CG1 3.89Å; W73-A184 HydrophobicContact CH2-CB 4.12Å; W73-A184 HydrophobicContact CZ2-CB 3.79Å; W73-V191 HydrophobicContact CB-CG1 4.08Å; W73-V191 HydrophobicContact CB-CG2 4.41Å; W73-V191 HydrophobicContact CD2-CG1 4.17Å; W73-V191 HydrophobicContact CD2-CG2 3.66Å; W73-V191 HydrophobicContact CE3-CG1 4.2Å; W73-V191 HydrophobicContact CE3-CG2 4.27Å; W73-V191 HydrophobicContact CG-CG1 4.17Å; W73-V191 HydrophobicContact CG-CG2 3.72Å; W73-V191 HydrophobicContact CZ2-CG2 4.23Å | ||
| 74 | P | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | trans | -50.1 | 128.7 | -179 | -28.3 | 35.4 | 0 | 0 | 0 | 112.1 | R76 Q77 E190 | P74-R76 PolarHBondContact O-N 3.46Å; P74-Q77 HydrophobicContact CB-CB 4.15Å; P74-Q77 HydrophobicContact CB-CG 4.01Å; P74-Q77 PolarHBondContact O-N 3.34Å; P74-E190 VanDerWaalsContact CD-O 3.23Å; P74-E190 WeakPolarHBondContact CD-O 3.48Å | ||
| 75 | T | 97 | Very high | 96.3 | Very high | 76 Ų | 76 | 29.7 Ų | 29.7 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -58.1 | -35.5 | -174.4 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | W73 Q77 Q144 | W73-T75 PolarHBondContact O-N 3.36Å; T75-Q77 PolarHBondContact O-N 3.15Å; T75-Q144 HydrophobicContact CG2-CB 4.34Å |
| 76 | R | 97.1 | Very high | 96.8 | Very high | 222 Ų | 222 | 29.4 Ų | 29.4 | 84% | 0.838 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -76.2 | -4.3 | 178 | -61 | -176.3 | -177.3 | -125.3 | 1.2 | 114.2 | P74 W186 | P74-R76 PolarHBondContact O-N 3.46Å; R76-W186 WeakPolarHBondContact O-CZ2 3.34Å |
| 77 | Q | 97.9 | Very high | 97.2 | Very high | 53 Ų | 53 | 28.7 Ų | 28.7 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -116.9 | 23.5 | -178 | -61.3 | -178 | 0.8 | 0 | 0 | 112.9 | W73 P74 T75 W186 C189 | W73-Q77 PolarHBondContact NE1-O 3.34Å; P74-Q77 HydrophobicContact CB-CB 4.15Å; P74-Q77 HydrophobicContact CB-CG 4.01Å; P74-Q77 PolarHBondContact O-N 3.34Å; T75-Q77 PolarHBondContact O-N 3.15Å; Q77-W186 HydrophobicContact CB-CG 4.42Å; Q77-W186 VanDerWaalsContact O-CB 3.31Å; Q77-W186 WeakPolarHBondContact O-CB 3.36Å; Q77-C189 HydrophobicContact CB-CB 3.83Å; Q77-C189 VanDerWaalsContact O-CB 3.31Å; Q77-C189 WeakPolarHBondContact O-CB 3.44Å |
| 78 | R | 97.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | trans | -91.7 | -34.3 | -179.4 | -70.1 | 176.7 | -176.8 | 175.2 | 2.3 | 113.3 | W73 A82 I113 L142 P143 | W73-R78 HydrophobicContact CD2-CG 4.45Å; W73-R78 HydrophobicContact CG-CG 4.27Å; W73-R78 PolarHBondContact O-NE 3.18Å; W73-R78 PolarHBondContact O-NH2 2.53Å; W73-R78 VanDerWaalsContact O-NH2 3.12Å; R78-A82 HydrophobicContact CB-CB 3.65Å; R78-A82 HydrophobicContact CG-CB 3.92Å; R78-I113 HydrophobicContact CG-CD1 4.19Å; R78-L142 PolarHBondContact NH1-O 2.84Å; R78-L142 PolarHBondContact NH2-O 2.86Å; R78-P143 PolarHBondContact NH2-O 3.08Å | ||
| 79 | G | 95.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 34% | 0.34 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -151.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 80 | T | 96.4 | Very high | 97.8 | Very high | 82 Ų | 82 | 39 Ų | 39 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -22.6 | -175.1 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | R115 | T80-R115 VanDerWaalsContact O-CZ 3.28Å; T80-R115 PolarHBondContact O-NH1 2.92Å; T80-R115 PolarHBondContact O-NH2 2.84Å |
| 81 | H | 97.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | trans | -145 | 100.3 | -178.2 | -56.5 | 81.6 | 0 | 0 | 0 | 109 | Y98 C99 S100 R115 V185 | H81-Y98 PolarHBondContact CE1-O 3.34Å; H81-C99 WeakPolarHBondContact CB-O 3.41Å; H81-C99 WeakPolarHBondContact CD2-CA 3.4Å; H81-C99 VanDerWaalsContact CG-C 3.48Å; H81-S100 PolarHBondContact CD2-N 3.49Å; H81-S100 PolarHBondContact CD2-OG 2.96Å; H81-R115 PolarHBondContact CD2-NH1 2.9Å; H81-R115 PolarHBondContact CD2-NH2 2.8Å; H81-R115 PolarHBondContact CE1-NH2 2.9Å; H81-R115 VanDerWaalsContact CE1-NH2 3.28Å; H81-R115 PolarHBondContact NE2-NH1 3.45Å; H81-R115 PolarHBondContact NE2-NH2 3.18Å; H81-V185 HydrophobicContact CB-CG1 3.92Å; H81-V185 HydrophobicContact CB-CG2 4.17Å; H81-V185 WeakPolarHBondContact O-CG2 3.31Å | ||
| 82 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | W73 R78 D112 I113 | W73-A82 HydrophobicContact CD2-CB 4.47Å; W73-A82 HydrophobicContact CH2-CB 3.51Å; W73-A82 HydrophobicContact CZ2-CB 3.42Å; W73-A82 VanDerWaalsContact CZ2-CB 3.42Å; W73-A82 HydrophobicContact CZ3-CB 4.06Å; R78-A82 HydrophobicContact CB-CB 3.65Å; R78-A82 HydrophobicContact CG-CB 3.92Å; A82-D112 CarbonylContact O-C 3.57Å; A82-D112 WeakPolarHBondContact O-CA 3.28Å; A82-I113 HydrophobicContact CB-CD1 3.93Å; A82-I113 HydrophobicContact CB-CG1 3.69Å; A82-I113 WeakPolarHBondContact O-CG1 3.45Å; A82-I113 PolarHBondContact O-N 3.32Å |
| 83 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.7 | -176.2 | -162.6 | 0 | 0 | 0 | 0 | 109.6 | V102 W111 D112 V182 S183 | V83-V102 HydrophobicContact CB-CB 4.14Å; V83-V102 HydrophobicContact CG1-CB 3.77Å; V83-V102 HydrophobicContact CG1-CG1 4.31Å; V83-V102 WeakPolarHBondContact CG1-O 3.42Å; V83-W111 VanDerWaalsContact CA-O 3.31Å; V83-W111 WeakPolarHBondContact CA-O 3.41Å; V83-W111 WeakPolarHBondContact CG1-O 3.22Å; V83-D112 HydrophobicContact CG2-CB 4.11Å; V83-V182 CarbonylContact O-C 3.25Å; V83-V182 WeakPolarHBondContact O-CA 3.16Å; V83-V182 WeakPolarHBondContact O-CB 3.46Å; V83-S183 WeakPolarHBondContact CB-OG 3.39Å; V83-S183 PolarHBondContact N-O 2.78Å; V83-S183 PolarHBondContact O-N 3.08Å |
| 84 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.4 | 175.3 | -174 | 158.5 | 0 | 0 | 0 | 110.6 | V71 W73 W111 I113 F146 M148 F159 V182 | V71-I84 HydrophobicContact CB-CD1 4.23Å; V71-I84 HydrophobicContact CG1-CD1 3.65Å; V71-I84 HydrophobicContact CG2-CD1 3.7Å; W73-I84 HydrophobicContact CZ3-CB 4.49Å; I84-W111 HydrophobicContact CG2-CE3 4.44Å; I84-W111 PolarHBondContact N-O 3.46Å; I84-W111 PolarHBondContact O-N 2.97Å; I84-I113 HydrophobicContact CG2-CG2 3.86Å; I84-F146 HydrophobicContact CD1-CE2 3.94Å; I84-F146 HydrophobicContact CD1-CZ 3.96Å; I84-F146 HydrophobicContact CG2-CE2 4.05Å; I84-F146 HydrophobicContact CG2-CZ 4.18Å; I84-M148 HydrophobicContact CD1-SD 4.4Å; I84-M148 HydrophobicContact CG1-SD 4Å; I84-F159 HydrophobicContact CG2-CE1 3.78Å; I84-F159 HydrophobicContact CG2-CZ 4.17Å; I84-V182 HydrophobicContact CB-CG1 3.92Å; I84-V182 HydrophobicContact CD1-CG1 3.88Å; I84-V182 HydrophobicContact CG1-CG1 3.73Å |
| 85 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -133.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | W109 I181 | G85-W109 WeakPolarHBondContact CA-O 2.98Å; G85-I181 PolarHBondContact N-O 3.32Å; G85-I181 PolarHBondContact O-N 3.05Å |
| 86 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.8 | -176.8 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | S108 W109 M148 L150 L157 L173 L178 Y179 | V86-S108 WeakPolarHBondContact O-CA 3.49Å; V86-W109 HydrophobicContact CG2-CB 4.21Å; V86-W109 HydrophobicContact CG2-CE3 4.09Å; V86-W109 PolarHBondContact N-O 3.05Å; V86-W109 PolarHBondContact O-N 2.94Å; V86-M148 HydrophobicContact CG1-SD 4.49Å; V86-L150 HydrophobicContact CG1-CD1 4.25Å; V86-L150 HydrophobicContact CG1-CD2 4.24Å; V86-L157 HydrophobicContact CG1-CD1 4.13Å; V86-L157 HydrophobicContact CG1-CD2 4.31Å; V86-L157 HydrophobicContact CG2-CD2 3.87Å; V86-L173 HydrophobicContact CG2-CD1 4.35Å; V86-L178 HydrophobicContact CB-CB 4.21Å; V86-L178 HydrophobicContact CG2-CB 4.47Å; V86-L178 HydrophobicContact CG2-CD1 3.88Å; V86-Y179 CarbonylContact C-O 3.58Å; V86-Y179 VanDerWaalsContact CA-O 3.24Å; V86-Y179 WeakPolarHBondContact CA-O 3.34Å |
| 87 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A91 F107 L178 Y179 I181 | A87-A91 HydrophobicContact CB-CB 3.66Å; A87-F107 CarbonylContact C-O 3.43Å; A87-F107 WeakPolarHBondContact CA-O 3.46Å; A87-L178 CarbonylContact O-C 3.26Å; A87-L178 WeakPolarHBondContact O-CA 3.36Å; A87-Y179 PolarHBondContact N-O 2.83Å; A87-Y179 PolarHBondContact O-N 2.97Å; A87-I181 HydrophobicContact CB-CB 4.14Å; A87-I181 HydrophobicContact CB-CD1 3.71Å; A87-I181 HydrophobicContact CB-CG2 3.71Å |
| 88 | T | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 43 Ų | 43 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | trans | -75.2 | 168.1 | 160.5 | 72.2 | 0 | 0 | 0 | 0 | 110 | R57 N90 A91 F107 W109 L178 | R57-T88 PolarHBondContact NH1-O 3.35Å; T88-N90 PolarHBondContact O-N 2.87Å; T88-N90 PolarHBondContact OG1-N 3.12Å; T88-A91 PolarHBondContact O-N 3.24Å; T88-F107 PolarHBondContact N-O 3.22Å; T88-F107 WeakPolarHBondContact OG1-CB 3.49Å; T88-F107 PolarHBondContact OG1-O 3.14Å; T88-W109 HydrophobicContact CG2-CH2 4.45Å; T88-W109 HydrophobicContact CG2-CZ3 4.23Å; T88-L178 HydrophobicContact CG2-CD2 3.94Å | ||
| 89 | I | 98.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 45% | 0.451 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.9 | 175.3 | -164 | 62.8 | 0 | 0 | 0 | 112.9 | D29 R57 A91 Y179 | D29-I89 WeakPolarHBondContact OD2-CD1 3.45Å; R57-I89 PolarHBondContact NH1-O 3.38Å; R57-I89 PolarHBondContact NH2-O 2.87Å; I89-A91 VanDerWaalsContact C-N 3.31Å; I89-A91 PolarHBondContact O-N 2.85Å; I89-Y179 HydrophobicContact CB-CE2 4.3Å |
| 90 | N | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 42.2 Ų | 42.2 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.7 | -177.6 | -62.1 | -20.4 | 0 | 0 | 0 | 113.5 | T88 F107 | T88-N90 PolarHBondContact O-N 2.87Å; T88-N90 PolarHBondContact OG1-N 3.12Å; N90-F107 HydrophobicContact CB-CB 4.48Å; N90-F107 HydrophobicContact CB-CD1 3.9Å; N90-F107 HydrophobicContact CB-CD2 4.46Å; N90-F107 HydrophobicContact CB-CE1 4.25Å; N90-F107 HydrophobicContact CB-CG 4.02Å |
| 91 | A | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -68.2 | 137.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R57 A87 T88 I89 F107 | R57-A91 PolarHBondContact NH1-O 2.8Å; A87-A91 HydrophobicContact CB-CB 3.66Å; T88-A91 PolarHBondContact O-N 3.24Å; I89-A91 VanDerWaalsContact C-N 3.31Å; I89-A91 PolarHBondContact O-N 2.85Å; A91-F107 HydrophobicContact CB-CB 3.9Å |
| 92 | P | 97.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | trans | -64.1 | 142.6 | 171.1 | 26.8 | -33.5 | 0 | 0 | 0 | 110.9 | L101 N105 | P92-L101 HydrophobicContact CB-CD1 4.4Å; P92-L101 HydrophobicContact CG-CD1 3.98Å; P92-N105 WeakPolarHBondContact CD-ND2 3.45Å; P92-N105 VanDerWaalsContact CG-ND2 3.31Å; P92-N105 WeakPolarHBondContact CG-ND2 3.14Å | ||
| 93 | I | 98.2 | Very high | 98.1 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 21% | 0.205 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -106.2 | 0 | 179.6 | 46.9 | 158.2 | 0 | 0 | 0 | 112.7 | C30 G55 | C30-I93 VanDerWaalsContact O-CD1 3.29Å; C30-I93 WeakPolarHBondContact O-CD1 3.32Å; G55-I93 WeakPolarHBondContact CA-O 3.23Å; G55-I93 PolarHBondContact N-O 3.35Å |
| 94 | H | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 148.1 | 177.2 | 172.2 | 77.3 | 0 | 0 | 0 | 110.1 | S52 T53 D54 | S52-H94 PolarHBondContact OG-CE1 2.67Å; S52-H94 PolarHBondContact OG-ND1 2.87Å; T53-H94 WeakPolarHBondContact O-CA 3.47Å; T53-H94 PolarHBondContact O-ND1 2.93Å; D54-H94 IonicContact OD1-CE1 3.8Å; D54-H94 IonicContact OD1-ND1 3.29Å; D54-H94 PolarHBondContact OD1-ND1 2.74Å |
| 95 | T | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 152 | 166.2 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | T53 C99 L101 | T53-T95 HydrophobicContact CG2-CG2 4.46Å; T53-T95 PolarHBondContact N-O 2.83Å; T53-T95 PolarHBondContact O-N 2.91Å; T95-C99 WeakPolarHBondContact CG2-SG 3.49Å; T95-L101 HydrophobicContact CG2-CB 4.17Å; T95-L101 HydrophobicContact CG2-CD1 3.81Å; T95-L101 HydrophobicContact CG2-CD2 4.29Å; T95-L101 HydrophobicContact CG2-CG 4.31Å |
| 96 | Y | 97.5 | Very high | 97.9 | Very high | 184 Ų | 184 | 43 Ų | 43 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 146.2 | 169.7 | -178.3 | -97.3 | 0 | 0 | 0 | 111.1 | Q51 | Q51-Y96 HydrophobicContact CB-CD2 4.47Å; Q51-Y96 HydrophobicContact CB-CE2 3.8Å; Q51-Y96 WeakPolarHBondContact O-CD2 3.32Å |
| 97 | G | 97.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 82.5 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q51 S52 T53 | Q51-G97 PolarHBondContact O-N 2.88Å; S52-G97 CarbonylContact C-O 3.41Å; T53-G97 PolarHBondContact N-O 3.3Å; T53-G97 PolarHBondContact OG1-O 3.18Å |
| 98 | Y | 97.6 | Very high | 97.9 | Very high | 92 Ų | 92 | 47.2 Ų | 47.2 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.8 | 111.9 | 174.1 | -55.9 | -46.6 | 0 | 0 | 0 | 110.2 | A50 Q51 T53 H81 V185 | A50-Y98 WeakPolarHBondContact CA-OH 3.13Å; Q51-Y98 VanDerWaalsContact N-CZ 3.27Å; Q51-Y98 PolarHBondContact N-OH 2.76Å; T53-Y98 WeakPolarHBondContact OG1-CA 3.44Å; H81-Y98 PolarHBondContact CE1-O 3.34Å; Y98-V185 HydrophobicContact CD1-CB 3.78Å; Y98-V185 HydrophobicContact CD1-CG1 3.93Å; Y98-V185 HydrophobicContact CE1-CB 4.35Å |
| 99 | C | 96.7 | Very high | 97.9 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | trans | -149.5 | 168.1 | 180 | 68.1 | 0 | 0 | 0 | 0 | 113 | T53 H81 T95 L101 | T53-C99 WeakPolarHBondContact CG2-O 3.43Å; T53-C99 PolarHBondContact OG1-N 3.15Å; T53-C99 PolarHBondContact OG1-O 3.12Å; H81-C99 WeakPolarHBondContact CB-O 3.41Å; H81-C99 WeakPolarHBondContact CD2-CA 3.4Å; H81-C99 VanDerWaalsContact CG-C 3.48Å; T95-C99 WeakPolarHBondContact CG2-SG 3.49Å; C99-L101 VanDerWaalsContact C-N 3.35Å; C99-L101 PolarHBondContact O-N 2.79Å; C99-L101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | S | 97.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -78.9 | 84.2 | 168.8 | -46.2 | 0 | 0 | 0 | 0 | 108.8 | H81 D112 | H81-S100 PolarHBondContact CD2-N 3.49Å; H81-S100 PolarHBondContact CD2-OG 2.96Å; S100-D112 PolarHBondContact OG-OD2 3.05Å | ||
| 101 | L | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | trans | -68 | -48.6 | -176.1 | 170.5 | 64.1 | 0 | 0 | 0 | 111.9 | T53 P92 T95 C99 G103 S104 | T53-L101 HydrophobicContact CG2-CB 3.55Å; T53-L101 HydrophobicContact CG2-CD2 4.22Å; P92-L101 HydrophobicContact CB-CD1 4.4Å; P92-L101 HydrophobicContact CG-CD1 3.98Å; T95-L101 HydrophobicContact CG2-CB 4.17Å; T95-L101 HydrophobicContact CG2-CD1 3.81Å; T95-L101 HydrophobicContact CG2-CD2 4.29Å; T95-L101 HydrophobicContact CG2-CG 4.31Å; C99-L101 VanDerWaalsContact C-N 3.35Å; C99-L101 PolarHBondContact O-N 2.79Å; C99-L101 VanDerWaalsContact O-N 3.07Å; L101-G103 PolarHBondContact O-N 3.31Å; L101-S104 WeakPolarHBondContact O-CB 3.4Å; L101-S104 PolarHBondContact O-N 2.96Å; L101-S104 VanDerWaalsContact O-N 3.08Å; L101-S104 PolarHBondContact O-OG 2.95Å | ||
| 102 | V | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 127.1 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | V83 I181 S183 | V83-V102 HydrophobicContact CB-CB 4.14Å; V83-V102 HydrophobicContact CG1-CB 3.77Å; V83-V102 HydrophobicContact CG1-CG1 4.31Å; V83-V102 WeakPolarHBondContact CG1-O 3.42Å; V102-I181 HydrophobicContact CG1-CG2 3.68Å; V102-I181 HydrophobicContact CG2-CD1 4.11Å; V102-I181 HydrophobicContact CG2-CG1 3.96Å; V102-I181 HydrophobicContact CG2-CG2 3.91Å; V102-S183 PolarHBondContact N-OG 3.19Å |
| 103 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -1.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L101 N105 S108 Y119 H120 D121 R122 | L101-G103 PolarHBondContact O-N 3.31Å; G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 2.91Å; G103-S108 PolarHBondContact N-OG 3.26Å; G103-Y119 VanDerWaalsContact CA-O 3.28Å; G103-Y119 WeakPolarHBondContact CA-O 3.45Å; G103-H120 CarbonylContact O-C 3.59Å; G103-H120 WeakPolarHBondContact O-CA 3.43Å; G103-H120 PolarHBondContact O-N 3.29Å; G103-D121 PolarHBondContact O-N 2.9Å; G103-D121 VanDerWaalsContact O-N 3.08Å; G103-R122 PolarHBondContact O-N 3.17Å |
| 104 | S | 97.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 35 Ų | 35 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -67.1 | -26.6 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | L101 R122 | L101-S104 WeakPolarHBondContact O-CB 3.4Å; L101-S104 PolarHBondContact O-N 2.96Å; L101-S104 VanDerWaalsContact O-N 3.08Å; L101-S104 PolarHBondContact O-OG 2.95Å; S104-R122 PolarHBondContact O-N 3.41Å |
| 105 | N | 96.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -133.4 | 174.6 | -174.3 | 58.4 | 57.7 | 0 | 0 | 0 | 111.1 | P92 G103 F107 S108 D121 | P92-N105 WeakPolarHBondContact CD-ND2 3.45Å; P92-N105 VanDerWaalsContact CG-ND2 3.31Å; P92-N105 WeakPolarHBondContact CG-ND2 3.14Å; G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 2.91Å; N105-F107 PolarHBondContact O-N 2.78Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CA 3.48Å; N105-F107 WeakPolarHBondContact OD1-CB 3.4Å; N105-F107 PolarHBondContact OD1-N 3.49Å; N105-S108 PolarHBondContact OD1-OG 2.7Å; N105-D121 PolarHBondContact O-N 3.47Å |
| 106 | P | 97.5 | Very high | 97.3 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 38% | 0.383 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11 | -179.2 | -19.9 | 30.3 | 0 | 0 | 0 | 115.3 | H120 D121 | P106-H120 PolarHBondContact O-CE1 2.98Å; P106-D121 HydrophobicContact CB-CB 4.47Å; P106-D121 VanDerWaalsContact CD-OD1 3.32Å; P106-D121 WeakPolarHBondContact CD-OD1 3.4Å; P106-D121 HydrophobicContact CG-CB 4.24Å; P106-D121 WeakPolarHBondContact CG-OD1 3.42Å |
| 107 | F | 98.2 | Very high | 97.2 | Very high | 88 Ų | 88 | 29.8 Ų | 29.8 | 39% | 0.386 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.4 | -173.1 | -56.6 | -61.9 | 0 | 0 | 0 | 113.5 | A87 T88 N90 A91 N105 | A87-F107 CarbonylContact C-O 3.43Å; A87-F107 WeakPolarHBondContact CA-O 3.46Å; T88-F107 PolarHBondContact N-O 3.22Å; T88-F107 WeakPolarHBondContact OG1-CB 3.49Å; T88-F107 PolarHBondContact OG1-O 3.14Å; N90-F107 HydrophobicContact CB-CB 4.48Å; N90-F107 HydrophobicContact CB-CD1 3.9Å; N90-F107 HydrophobicContact CB-CD2 4.46Å; N90-F107 HydrophobicContact CB-CE1 4.25Å; N90-F107 HydrophobicContact CB-CG 4.02Å; A91-F107 HydrophobicContact CB-CB 3.9Å; N105-F107 PolarHBondContact O-N 2.78Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CA 3.48Å; N105-F107 WeakPolarHBondContact OD1-CB 3.4Å; N105-F107 PolarHBondContact OD1-N 3.49Å |
| 108 | S | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155 | -177.2 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | V86 G103 N105 H120 | V86-S108 WeakPolarHBondContact O-CA 3.49Å; G103-S108 PolarHBondContact N-OG 3.26Å; N105-S108 PolarHBondContact OD1-OG 2.7Å; S108-H120 PolarHBondContact O-ND1 2.91Å |
| 109 | W | 98.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 116.3 | 178.3 | -62.8 | -95.3 | 0 | 0 | 0 | 107.7 | G85 V86 T88 H120 F170 L173 K176 L178 | G85-W109 WeakPolarHBondContact CA-O 2.98Å; V86-W109 HydrophobicContact CG2-CB 4.21Å; V86-W109 HydrophobicContact CG2-CE3 4.09Å; V86-W109 PolarHBondContact N-O 3.05Å; V86-W109 PolarHBondContact O-N 2.94Å; T88-W109 HydrophobicContact CG2-CH2 4.45Å; T88-W109 HydrophobicContact CG2-CZ3 4.23Å; W109-H120 AromaticContact CD1-CD2 3.93Å; W109-H120 AromaticContact CD1-CE1 3.9Å; W109-H120 AromaticContact CD1-CG 3.37Å; W109-H120 AromaticContact CD1-ND1 3.37Å; W109-H120 AromaticContact CD2-ND1 3.89Å; W109-H120 AromaticContact CE2-CE1 3.28Å; W109-H120 AromaticContact CE2-ND1 3.44Å; W109-H120 AromaticContact CE2-NE2 3.85Å; W109-H120 HydrophobicContact CG-CB 4.4Å; W109-H120 AromaticContact CG-ND1 3.83Å; W109-H120 AromaticContact CZ2-CE1 3.4Å; W109-H120 VanDerWaalsContact CZ2-CE1 3.4Å; W109-H120 WeakPolarHBondContact CZ2-CE1 3.21Å; W109-H120 AromaticContact CZ2-NE2 3.99Å; W109-H120 AromaticContact NE1-CD2 3.49Å; W109-H120 PolarHBondContact NE1-CD2 2.78Å; W109-H120 AromaticContact NE1-CE1 3.15Å; W109-H120 PolarHBondContact NE1-CE1 3.43Å; W109-H120 AromaticContact NE1-CG 3.32Å; W109-H120 VanDerWaalsContact NE1-CG 3.32Å; W109-H120 AromaticContact NE1-ND1 3.12Å; W109-H120 PolarHBondContact NE1-ND1 3.24Å; W109-H120 VanDerWaalsContact NE1-ND1 3.12Å; W109-H120 AromaticContact NE1-NE2 3.34Å; W109-H120 PolarHBondContact NE1-NE2 2.95Å; W109-F170 HydrophobicContact CB-CD1 4.16Å; W109-F170 HydrophobicContact CB-CD2 3.87Å; W109-F170 HydrophobicContact CB-CE1 4.22Å; W109-F170 HydrophobicContact CB-CE2 3.93Å; W109-F170 HydrophobicContact CB-CG 3.95Å; W109-F170 HydrophobicContact CB-CZ 4.09Å; W109-F170 AromaticContact CD1-CD1 3.59Å; W109-F170 AromaticContact CD1-CG 3.85Å; W109-F170 HydrophobicContact CG-CD1 4.27Å; W109-F170 HydrophobicContact CG-CG 4.24Å; W109-L173 HydrophobicContact CD2-CD2 3.6Å; W109-L173 VanDerWaalsContact CE2-CD2 3.45Å; W109-L173 HydrophobicContact CE3-CD2 4.15Å; W109-L173 HydrophobicContact CG-CD2 3.96Å; W109-L173 HydrophobicContact CH2-CD2 4.5Å; W109-L173 HydrophobicContact CZ2-CD2 3.94Å; W109-K176 HydrophobicContact CH2-CD 3.54Å; W109-K176 HydrophobicContact CZ2-CD 4Å; W109-K176 HydrophobicContact CZ3-CD 4.31Å; W109-L178 HydrophobicContact CE3-CD2 4.04Å; W109-L178 HydrophobicContact CH2-CD2 4.23Å; W109-L178 HydrophobicContact CZ3-CD2 3.44Å; W109-L178 VanDerWaalsContact CZ3-CD2 3.44Å |
| 110 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L118 Y119 F170 | G110-L118 WeakPolarHBondContact O-CA 3.38Å; G110-Y119 PolarHBondContact N-O 2.84Å; G110-Y119 PolarHBondContact O-N 2.83Å; G110-F170 WeakPolarHBondContact O-CZ 3.46Å |
| 111 | W | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.3 | 165.4 | 177 | 28.5 | 0 | 0 | 0 | 109.6 | V83 I84 I113 L118 Y130 F140 L142 F159 L166 | V83-W111 VanDerWaalsContact CA-O 3.31Å; V83-W111 WeakPolarHBondContact CA-O 3.41Å; V83-W111 WeakPolarHBondContact CG1-O 3.22Å; I84-W111 HydrophobicContact CG2-CE3 4.44Å; I84-W111 PolarHBondContact N-O 3.46Å; I84-W111 PolarHBondContact O-N 2.97Å; W111-I113 HydrophobicContact CD2-CG2 3.63Å; W111-I113 HydrophobicContact CE3-CG2 3.67Å; W111-I113 HydrophobicContact CG-CG2 4.12Å; W111-I113 HydrophobicContact CH2-CG2 4.37Å; W111-I113 HydrophobicContact CZ2-CG2 4.3Å; W111-I113 HydrophobicContact CZ3-CG2 4.05Å; W111-I113 PolarHBondContact O-N 2.92Å; W111-L118 HydrophobicContact CB-CD2 3.68Å; W111-L118 HydrophobicContact CG-CD2 3.89Å; W111-Y130 AromaticContact CD2-CD1 3.82Å; W111-Y130 HydrophobicContact CD2-CD1 3.82Å; W111-Y130 HydrophobicContact CD2-CE1 4.02Å; W111-Y130 AromaticContact CE2-CD1 3.56Å; W111-Y130 HydrophobicContact CE3-CD1 4.4Å; W111-Y130 HydrophobicContact CE3-CE1 4.12Å; W111-Y130 HydrophobicContact CG-CD1 4.13Å; W111-Y130 HydrophobicContact CH2-CD1 4.42Å; W111-Y130 HydrophobicContact CH2-CE1 4.16Å; W111-Y130 AromaticContact CZ2-CD1 3.89Å; W111-Y130 HydrophobicContact CZ2-CD1 3.89Å; W111-Y130 HydrophobicContact CZ2-CE1 4.09Å; W111-Y130 HydrophobicContact CZ3-CE1 4.19Å; W111-Y130 AromaticContact NE1-CD1 3.68Å; W111-Y130 PolarHBondContact NE1-O 2.95Å; W111-Y130 VanDerWaalsContact NE1-O 3.13Å; W111-F140 HydrophobicContact CH2-CE1 4.03Å; W111-F140 HydrophobicContact CZ2-CD1 4.46Å; W111-F140 AromaticContact CZ2-CE1 3.99Å; W111-F140 HydrophobicContact CZ2-CE1 3.99Å; W111-L142 HydrophobicContact CH2-CB 4.35Å; W111-L142 HydrophobicContact CH2-CD1 3.58Å; W111-L142 HydrophobicContact CH2-CD2 3.59Å; W111-L142 HydrophobicContact CH2-CG 4.02Å; W111-L142 HydrophobicContact CZ2-CD2 4.31Å; W111-L142 HydrophobicContact CZ3-CD1 4.06Å; W111-L142 HydrophobicContact CZ3-CD2 3.69Å; W111-L142 HydrophobicContact CZ3-CG 4.47Å; W111-F159 HydrophobicContact CB-CD2 4.48Å; W111-F159 HydrophobicContact CB-CE2 3.69Å; W111-F159 HydrophobicContact CB-CZ 3.86Å; W111-F159 HydrophobicContact CD2-CD2 4.16Å; W111-F159 HydrophobicContact CD2-CE2 4.22Å; W111-F159 HydrophobicContact CD2-CG 4.48Å; W111-F159 HydrophobicContact CE3-CB 4Å; W111-F159 AromaticContact CE3-CD1 3.6Å; W111-F159 HydrophobicContact CE3-CD1 3.6Å; W111-F159 AromaticContact CE3-CD2 3.45Å; W111-F159 HydrophobicContact CE3-CD2 3.45Å; W111-F159 VanDerWaalsContact CE3-CD2 3.45Å; W111-F159 AromaticContact CE3-CE1 3.86Å; W111-F159 HydrophobicContact CE3-CE1 3.86Å; W111-F159 AromaticContact CE3-CE2 3.71Å; W111-F159 HydrophobicContact CE3-CE2 3.71Å; W111-F159 AromaticContact CE3-CG 3.38Å; W111-F159 HydrophobicContact CE3-CG 3.38Å; W111-F159 AromaticContact CE3-CZ 3.9Å; W111-F159 HydrophobicContact CE3-CZ 3.9Å; W111-F159 HydrophobicContact CG-CE2 4.27Å; W111-F159 HydrophobicContact CH2-CB 4.48Å; W111-F159 HydrophobicContact CZ3-CB 3.6Å; W111-F159 AromaticContact CZ3-CD1 3.82Å; W111-F159 HydrophobicContact CZ3-CD1 3.82Å; W111-F159 AromaticContact CZ3-CD2 3.99Å; W111-F159 HydrophobicContact CZ3-CD2 3.99Å; W111-F159 HydrophobicContact CZ3-CE1 4.49Å; W111-F159 AromaticContact CZ3-CG 3.52Å; W111-F159 HydrophobicContact CZ3-CG 3.52Å; W111-L166 HydrophobicContact CH2-CD1 3.6Å; W111-L166 HydrophobicContact CZ2-CD1 4.42Å; W111-L166 HydrophobicContact CZ3-CD1 4.17Å |
| 112 | D | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 99 | 169.2 | -174.1 | -31.4 | 0 | 0 | 0 | 108.6 | A82 V83 S100 G114 R115 N116 K117 Y119 | A82-D112 CarbonylContact O-C 3.57Å; A82-D112 WeakPolarHBondContact O-CA 3.28Å; V83-D112 HydrophobicContact CG2-CB 4.11Å; S100-D112 PolarHBondContact OG-OD2 3.05Å; D112-G114 PolarHBondContact O-N 3.36Å; D112-G114 PolarHBondContact OD1-N 3.01Å; D112-R115 HydrophobicContact CB-CB 4.3Å; D112-R115 PolarHBondContact O-N 2.85Å; D112-R115 PolarHBondContact OD1-N 3.37Å; D112-R115 IonicContact OD1-NH1 2.81Å; D112-R115 IonicContact OD2-CZ 3.94Å; D112-R115 IonicContact OD2-NH1 3.73Å; D112-R115 PolarHBondContact OD2-NH1 3.38Å; D112-N116 WeakPolarHBondContact O-CA 3.41Å; D112-N116 PolarHBondContact O-N 3.4Å; D112-K117 PolarHBondContact N-O 3.33Å; D112-K117 PolarHBondContact O-N 3.34Å; D112-Y119 HydrophobicContact CB-CD2 3.95Å; D112-Y119 HydrophobicContact CB-CE2 3.55Å |
| 113 | I | 97 | Very high | 96.6 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.6 | -173.3 | 65.8 | -178.1 | 0 | 0 | 0 | 112.6 | W73 R78 A82 I84 W111 L142 | W73-I113 HydrophobicContact CD2-CD1 4.09Å; W73-I113 HydrophobicContact CE3-CD1 3.81Å; W73-I113 HydrophobicContact CZ3-CD1 4.31Å; R78-I113 HydrophobicContact CG-CD1 4.19Å; A82-I113 HydrophobicContact CB-CD1 3.93Å; A82-I113 HydrophobicContact CB-CG1 3.69Å; A82-I113 WeakPolarHBondContact O-CG1 3.45Å; A82-I113 PolarHBondContact O-N 3.32Å; I84-I113 HydrophobicContact CG2-CG2 3.86Å; W111-I113 HydrophobicContact CD2-CG2 3.63Å; W111-I113 HydrophobicContact CE3-CG2 3.67Å; W111-I113 HydrophobicContact CG-CG2 4.12Å; W111-I113 HydrophobicContact CH2-CG2 4.37Å; W111-I113 HydrophobicContact CZ2-CG2 4.3Å; W111-I113 HydrophobicContact CZ3-CG2 4.05Å; W111-I113 PolarHBondContact O-N 2.92Å; I113-L142 HydrophobicContact CB-CD2 3.73Å; I113-L142 HydrophobicContact CD1-CD2 4.17Å; I113-L142 HydrophobicContact CG2-CD2 3.52Å |
| 114 | G | 92.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -33.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D112 | D112-G114 PolarHBondContact O-N 3.36Å; D112-G114 PolarHBondContact OD1-N 3.01Å |
| 115 | R | 93.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 49.3 Ų | 49.3 | 38% | 0.377 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -7.3 | -179.1 | -67.4 | -171.6 | 176.4 | 78.4 | 2 | 114.7 | T80 H81 D112 K117 | T80-R115 VanDerWaalsContact O-CZ 3.28Å; T80-R115 PolarHBondContact O-NH1 2.92Å; T80-R115 PolarHBondContact O-NH2 2.84Å; H81-R115 PolarHBondContact CD2-NH1 2.9Å; H81-R115 PolarHBondContact CD2-NH2 2.8Å; H81-R115 PolarHBondContact CE1-NH2 2.9Å; H81-R115 VanDerWaalsContact CE1-NH2 3.28Å; H81-R115 PolarHBondContact NE2-NH1 3.45Å; H81-R115 PolarHBondContact NE2-NH2 3.18Å; D112-R115 HydrophobicContact CB-CB 4.3Å; D112-R115 PolarHBondContact O-N 2.85Å; D112-R115 PolarHBondContact OD1-N 3.37Å; D112-R115 IonicContact OD1-NH1 2.81Å; D112-R115 IonicContact OD2-CZ 3.94Å; D112-R115 IonicContact OD2-NH1 3.73Å; D112-R115 PolarHBondContact OD2-NH1 3.38Å; R115-K117 VanDerWaalsContact C-N 3.26Å; R115-K117 HydrophobicContact CB-CB 4.3Å; R115-K117 HydrophobicContact CB-CD 4.47Å; R115-K117 HydrophobicContact CB-CG 4.37Å; R115-K117 PolarHBondContact O-N 2.71Å |
| 116 | N | 95.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 46 | -171.4 | -66.3 | -34.9 | 0 | 0 | 0 | 112 | D112 P129 Y130 F140 | D112-N116 WeakPolarHBondContact O-CA 3.41Å; D112-N116 PolarHBondContact O-N 3.4Å; N116-P129 WeakPolarHBondContact O-CA 3.27Å; N116-Y130 CarbonylContact C-O 3.24Å; N116-Y130 VanDerWaalsContact C-O 3.25Å; N116-Y130 WeakPolarHBondContact CA-O 3.09Å; N116-Y130 WeakPolarHBondContact CB-O 3.24Å; N116-Y130 PolarHBondContact O-N 2.68Å; N116-F140 PolarHBondContact ND2-O 3.18Å |
| 117 | K | 96.3 | Very high | 96.1 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.2 | -177.9 | -77.6 | -176 | 174.7 | -164.5 | 0 | 112.1 | D112 R115 Y119 Q128 | D112-K117 PolarHBondContact N-O 3.33Å; D112-K117 PolarHBondContact O-N 3.34Å; R115-K117 VanDerWaalsContact C-N 3.26Å; R115-K117 HydrophobicContact CB-CB 4.3Å; R115-K117 HydrophobicContact CB-CD 4.47Å; R115-K117 HydrophobicContact CB-CG 4.37Å; R115-K117 PolarHBondContact O-N 2.71Å; K117-Y119 HydrophobicContact CB-CE2 3.82Å; K117-Q128 CarbonylContact C-O 3.51Å; K117-Q128 WeakPolarHBondContact CA-O 3.47Å |
| 118 | L | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.9 | 170.2 | -58.1 | 179 | 0 | 0 | 0 | 109.8 | G110 W111 S127 Q128 Y130 A169 F170 | G110-L118 WeakPolarHBondContact O-CA 3.38Å; W111-L118 HydrophobicContact CB-CD2 3.68Å; W111-L118 HydrophobicContact CG-CD2 3.89Å; L118-S127 VanDerWaalsContact O-CA 3.22Å; L118-S127 WeakPolarHBondContact O-CA 3.19Å; L118-S127 WeakPolarHBondContact O-CB 3.42Å; L118-Q128 HydrophobicContact CB-CB 4.37Å; L118-Q128 PolarHBondContact N-O 2.72Å; L118-Q128 PolarHBondContact O-N 3.29Å; L118-Q128 VanDerWaalsContact O-N 3.17Å; L118-Y130 HydrophobicContact CD1-CD2 3.87Å; L118-Y130 HydrophobicContact CD1-CG 3.94Å; L118-Y130 HydrophobicContact CD2-CD1 4.06Å; L118-Y130 HydrophobicContact CD2-CD2 4.4Å; L118-Y130 HydrophobicContact CD2-CG 3.81Å; L118-Y130 VanDerWaalsContact CG-CB 3.42Å; L118-Y130 HydrophobicContact CG-CD2 4.41Å; L118-Y130 HydrophobicContact CG-CG 3.97Å; L118-A169 HydrophobicContact CD1-CB 3.83Å; L118-A169 VanDerWaalsContact CD1-O 3.24Å; L118-A169 WeakPolarHBondContact CD1-O 3.28Å; L118-A169 HydrophobicContact CD2-CB 3.76Å; L118-A169 HydrophobicContact CG-CB 4.46Å; L118-F170 HydrophobicContact CB-CE1 3.96Å; L118-F170 HydrophobicContact CB-CE2 4.44Å; L118-F170 HydrophobicContact CB-CZ 3.68Å; L118-F170 HydrophobicContact CD2-CE2 3.87Å; L118-F170 HydrophobicContact CD2-CZ 3.94Å; L118-F170 HydrophobicContact CG-CZ 4.25Å |
| 119 | Y | 98.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.3 | 175.5 | -62.9 | -74.8 | 0 | 0 | 0 | 109.8 | G103 G110 D112 K117 R122 S127 F170 | G103-Y119 VanDerWaalsContact CA-O 3.28Å; G103-Y119 WeakPolarHBondContact CA-O 3.45Å; G110-Y119 PolarHBondContact N-O 2.84Å; G110-Y119 PolarHBondContact O-N 2.83Å; D112-Y119 HydrophobicContact CB-CD2 3.95Å; D112-Y119 HydrophobicContact CB-CE2 3.55Å; K117-Y119 HydrophobicContact CB-CE2 3.82Å; Y119-R122 HydrophobicContact CD1-CB 4.3Å; Y119-R122 HydrophobicContact CD1-CG 3.94Å; Y119-R122 HydrophobicContact CE1-CG 4.32Å; Y119-S127 VanDerWaalsContact CE1-CB 3.45Å; Y119-F170 WeakPolarHBondContact O-CZ 3.22Å |
| 120 | H | 98.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 22% | 0.222 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 128.8 | 165.8 | 170.2 | 56.3 | 0 | 0 | 0 | 106.2 | G103 P106 S108 W109 R122 L125 F170 | G103-H120 CarbonylContact O-C 3.59Å; G103-H120 WeakPolarHBondContact O-CA 3.43Å; G103-H120 PolarHBondContact O-N 3.29Å; P106-H120 PolarHBondContact O-CE1 2.98Å; S108-H120 PolarHBondContact O-ND1 2.91Å; W109-H120 AromaticContact CD1-CD2 3.93Å; W109-H120 AromaticContact CD1-CE1 3.9Å; W109-H120 AromaticContact CD1-CG 3.37Å; W109-H120 AromaticContact CD1-ND1 3.37Å; W109-H120 AromaticContact CD2-ND1 3.89Å; W109-H120 AromaticContact CE2-CE1 3.28Å; W109-H120 AromaticContact CE2-ND1 3.44Å; W109-H120 AromaticContact CE2-NE2 3.85Å; W109-H120 HydrophobicContact CG-CB 4.4Å; W109-H120 AromaticContact CG-ND1 3.83Å; W109-H120 AromaticContact CZ2-CE1 3.4Å; W109-H120 VanDerWaalsContact CZ2-CE1 3.4Å; W109-H120 WeakPolarHBondContact CZ2-CE1 3.21Å; W109-H120 AromaticContact CZ2-NE2 3.99Å; W109-H120 AromaticContact NE1-CD2 3.49Å; W109-H120 PolarHBondContact NE1-CD2 2.78Å; W109-H120 AromaticContact NE1-CE1 3.15Å; W109-H120 PolarHBondContact NE1-CE1 3.43Å; W109-H120 AromaticContact NE1-CG 3.32Å; W109-H120 VanDerWaalsContact NE1-CG 3.32Å; W109-H120 AromaticContact NE1-ND1 3.12Å; W109-H120 PolarHBondContact NE1-ND1 3.24Å; W109-H120 VanDerWaalsContact NE1-ND1 3.12Å; W109-H120 AromaticContact NE1-NE2 3.34Å; W109-H120 PolarHBondContact NE1-NE2 2.95Å; H120-R122 VanDerWaalsContact C-N 3.28Å; H120-R122 PolarHBondContact O-N 2.85Å; H120-L125 WeakPolarHBondContact O-CB 3.47Å; H120-F170 HydrophobicContact CB-CD1 4.34Å; H120-F170 HydrophobicContact CB-CE1 3.88Å |
| 121 | D | 97 | Very high | 95.3 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 47.2 | 51.2 | -176.7 | -164.8 | 19.6 | 0 | 0 | 0 | 113.3 | G103 N105 P106 E123 H124 L125 | G103-D121 PolarHBondContact O-N 2.9Å; G103-D121 VanDerWaalsContact O-N 3.08Å; N105-D121 PolarHBondContact O-N 3.47Å; P106-D121 HydrophobicContact CB-CB 4.47Å; P106-D121 VanDerWaalsContact CD-OD1 3.32Å; P106-D121 WeakPolarHBondContact CD-OD1 3.4Å; P106-D121 HydrophobicContact CG-CB 4.24Å; P106-D121 WeakPolarHBondContact CG-OD1 3.42Å; D121-E123 PolarHBondContact O-N 2.86Å; D121-H124 VanDerWaalsContact CG-ND1 3.28Å; D121-H124 PolarHBondContact O-N 2.99Å; D121-H124 IonicContact OD1-CE1 3.52Å; D121-H124 IonicContact OD1-CG 2.72Å; D121-H124 IonicContact OD1-ND1 2.68Å; D121-H124 PolarHBondContact OD1-ND1 2.99Å; D121-H124 WeakPolarHBondContact OD2-CB 3.07Å; D121-H124 IonicContact OD2-CG 2.92Å; D121-H124 IonicContact OD2-ND1 3.7Å; D121-H124 PolarHBondContact OD2-ND1 3.41Å; D121-L125 HydrophobicContact CB-CD1 4.08Å; D121-L125 HydrophobicContact CB-CG 4.29Å; D121-L125 PolarHBondContact O-N 2.83Å |
| 122 | R | 92.5 | Very high | 94.7 | Very high | 121 Ų | 121 | 65.2 Ų | 65.2 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.7 | -171.5 | -178.2 | 179.7 | 173.7 | -176 | -2.9 | 114.3 | G103 S104 Y119 H120 H124 | G103-R122 PolarHBondContact O-N 3.17Å; S104-R122 PolarHBondContact O-N 3.41Å; Y119-R122 HydrophobicContact CD1-CB 4.3Å; Y119-R122 HydrophobicContact CD1-CG 3.94Å; Y119-R122 HydrophobicContact CE1-CG 4.32Å; H120-R122 VanDerWaalsContact C-N 3.28Å; H120-R122 PolarHBondContact O-N 2.85Å; R122-H124 PolarHBondContact O-N 2.89Å |
| 123 | E | 87.9 | Confident | 93.9 | Very high | 161 Ų | 161 | 68 Ų | 68 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.8 | 176.5 | -67.6 | -177.3 | 175.5 | 0 | 0 | 112.6 | D121 | D121-E123 PolarHBondContact O-N 2.86Š|
| 124 | H | 94.3 | Very high | 92.8 | Very high | 133 Ų | 133 | 70.4 Ų | 70.4 | 62% | 0.616 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -23.4 | -175.1 | -53.2 | 99.5 | 0 | 0 | 0 | 113.4 | D121 R122 | D121-H124 VanDerWaalsContact CG-ND1 3.28Å; D121-H124 PolarHBondContact O-N 2.99Å; D121-H124 IonicContact OD1-CE1 3.52Å; D121-H124 IonicContact OD1-CG 2.72Å; D121-H124 IonicContact OD1-ND1 2.68Å; D121-H124 PolarHBondContact OD1-ND1 2.99Å; D121-H124 WeakPolarHBondContact OD2-CB 3.07Å; D121-H124 IonicContact OD2-CG 2.92Å; D121-H124 IonicContact OD2-ND1 3.7Å; D121-H124 PolarHBondContact OD2-ND1 3.41Å; R122-H124 PolarHBondContact O-N 2.89Å |
| 125 | L | 95.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -119.8 | 139.9 | -174.8 | -59.6 | 178.9 | 0 | 0 | 0 | 112.1 | H120 D121 | H120-L125 WeakPolarHBondContact O-CB 3.47Å; D121-L125 HydrophobicContact CB-CD1 4.08Å; D121-L125 HydrophobicContact CB-CG 4.29Å; D121-L125 PolarHBondContact O-N 2.83Å |
| 126 | P | 94.9 | Very high | 90.8 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 71% | 0.714 | 41% | 0.414 | S | S | * | . | trans | -71.4 | 148.9 | 176.9 | 30.7 | -34.9 | 0 | 0 | 0 | 111.6 | ||||
| 127 | S | 95.4 | Very high | 89.8 | Confident | 42 Ų | 42 | 80.9 Ų | 80.9 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | trans | -67.6 | 144 | 171.5 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | L118 Y119 | L118-S127 VanDerWaalsContact O-CA 3.22Å; L118-S127 WeakPolarHBondContact O-CA 3.19Å; L118-S127 WeakPolarHBondContact O-CB 3.42Å; Y119-S127 VanDerWaalsContact CE1-CB 3.45Å | ||
| 128 | Q | 94.9 | Very high | 88.8 | Confident | 120 Ų | 120 | 82.3 Ų | 82.3 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.1 | 175.1 | -60 | -178.6 | 12.2 | 0 | 0 | 111 | K117 L118 | K117-Q128 CarbonylContact C-O 3.51Å; K117-Q128 WeakPolarHBondContact CA-O 3.47Å; L118-Q128 HydrophobicContact CB-CB 4.37Å; L118-Q128 PolarHBondContact N-O 2.72Å; L118-Q128 PolarHBondContact O-N 3.29Å; L118-Q128 VanDerWaalsContact O-N 3.17Å |
| 129 | P | 94.7 | Very high | 88 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 139.8 | 174.2 | 29 | -33.6 | 0 | 0 | 0 | 110.7 | N116 | N116-P129 WeakPolarHBondContact O-CA 3.27Å |
| 130 | Y | 95.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 88.7 Ų | 88.7 | 2% | 0.02 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -156.6 | 131.7 | 176 | -176.5 | -87.2 | 0 | 0 | 0 | 111.6 | W111 N116 L118 F159 L166 G167 A169 | W111-Y130 AromaticContact CD2-CD1 3.82Å; W111-Y130 HydrophobicContact CD2-CD1 3.82Å; W111-Y130 HydrophobicContact CD2-CE1 4.02Å; W111-Y130 AromaticContact CE2-CD1 3.56Å; W111-Y130 HydrophobicContact CE3-CD1 4.4Å; W111-Y130 HydrophobicContact CE3-CE1 4.12Å; W111-Y130 HydrophobicContact CG-CD1 4.13Å; W111-Y130 HydrophobicContact CH2-CD1 4.42Å; W111-Y130 HydrophobicContact CH2-CE1 4.16Å; W111-Y130 AromaticContact CZ2-CD1 3.89Å; W111-Y130 HydrophobicContact CZ2-CD1 3.89Å; W111-Y130 HydrophobicContact CZ2-CE1 4.09Å; W111-Y130 HydrophobicContact CZ3-CE1 4.19Å; W111-Y130 AromaticContact NE1-CD1 3.68Å; W111-Y130 PolarHBondContact NE1-O 2.95Å; W111-Y130 VanDerWaalsContact NE1-O 3.13Å; N116-Y130 CarbonylContact C-O 3.24Å; N116-Y130 VanDerWaalsContact C-O 3.25Å; N116-Y130 WeakPolarHBondContact CA-O 3.09Å; N116-Y130 WeakPolarHBondContact CB-O 3.24Å; N116-Y130 PolarHBondContact O-N 2.68Å; L118-Y130 HydrophobicContact CD1-CD2 3.87Å; L118-Y130 HydrophobicContact CD1-CG 3.94Å; L118-Y130 HydrophobicContact CD2-CD1 4.06Å; L118-Y130 HydrophobicContact CD2-CD2 4.4Å; L118-Y130 HydrophobicContact CD2-CG 3.81Å; L118-Y130 VanDerWaalsContact CG-CB 3.42Å; L118-Y130 HydrophobicContact CG-CD2 4.41Å; L118-Y130 HydrophobicContact CG-CG 3.97Å; Y130-F159 HydrophobicContact CE1-CB 4.14Å; Y130-F159 AromaticContact CE1-CD2 3.69Å; Y130-F159 HydrophobicContact CE1-CD2 3.69Å; Y130-F159 HydrophobicContact CE1-CG 4.31Å; Y130-F159 AromaticContact CZ-CD2 3.94Å; Y130-F159 PolarHBondContact OH-N 2.95Å; Y130-F159 VanDerWaalsContact OH-N 3.14Å; Y130-L166 HydrophobicContact CE1-CB 4Å; Y130-L166 HydrophobicContact CE1-CD1 4.29Å; Y130-L166 WeakPolarHBondContact CE2-O 3.49Å; Y130-L166 VanDerWaalsContact OH-CB 3.29Å; Y130-L166 WeakPolarHBondContact OH-CB 3.12Å; Y130-G167 PolarHBondContact OH-O 3.01Å; Y130-A169 HydrophobicContact CD2-CB 4.18Å; Y130-A169 HydrophobicContact CE2-CB 3.83Å |
| 131 | P | 92.4 | Very high | 87.2 | Confident | 10 Ų | 10 | 94.4 Ų | 94.4 | 7% | 0.065 | 52% | 0.517 | C | S | . | . | S | Bend | cis | -66.9 | 161.2 | 1.6 | 27.2 | -34.4 | 0 | 0 | 0 | 113.1 | V133 F140 L166 | P131-V133 VanDerWaalsContact C-N 3.31Å; P131-V133 HydrophobicContact CG-CG1 4.15Å; P131-V133 PolarHBondContact O-N 2.77Å; P131-F140 HydrophobicContact CG-CB 3.94Å; P131-F140 HydrophobicContact CG-CD1 3.59Å; P131-F140 HydrophobicContact CG-CD2 3.72Å; P131-F140 HydrophobicContact CG-CE1 3.94Å; P131-F140 HydrophobicContact CG-CE2 4.08Å; P131-F140 HydrophobicContact CG-CG 3.46Å; P131-F140 VanDerWaalsContact CG-CG 3.46Å; P131-F140 HydrophobicContact CG-CZ 4.18Å; P131-L166 HydrophobicContact CB-CB 4.24Å; P131-L166 HydrophobicContact CB-CD2 4.22Å; P131-L166 HydrophobicContact CG-CD2 4.43Å |
| 132 | V | 86.2 | Confident | 87.1 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 81% | 0.812 | 51% | 0.511 | S | S | * | . | trans | -75.8 | 90.4 | 171.4 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 133 | V | 79.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 35% | 0.352 | 51% | 0.507 | S | S | . | . | trans | -99.7 | 152.8 | 174.2 | -82 | 0 | 0 | 0 | 0 | 110.3 | P131 E137 | P131-V133 VanDerWaalsContact C-N 3.31Å; P131-V133 HydrophobicContact CG-CG1 4.15Å; P131-V133 PolarHBondContact O-N 2.77Å; V133-E137 HydrophobicContact CB-CB 4.4Å; V133-E137 WeakPolarHBondContact CB-OE2 3.44Å; V133-E137 WeakPolarHBondContact CG1-OE2 3.23Å | ||
| 134 | S | 74.1 | Confident | 87.7 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | trans | -66 | 152.4 | 176 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | D136 E137 | S134-D136 PolarHBondContact O-N 2.81Å; S134-D136 VanDerWaalsContact O-N 3.1Å; S134-E137 PolarHBondContact O-N 3Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CG 3.3Å | ||
| 135 | P | 70.4 | Confident | 87.8 | Confident | 129 Ų | 129 | 84 Ų | 84 | 84% | 0.838 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.2 | -178.2 | -22.2 | 32.6 | 0 | 0 | 0 | 113.9 | ||
| 136 | D | 74.5 | Confident | 87.8 | Confident | 155 Ų | 155 | 80 Ų | 80 | 83% | 0.829 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -6.4 | -175.9 | -52.8 | -45.6 | 0 | 0 | 0 | 113.1 | S134 | S134-D136 PolarHBondContact O-N 2.81Å; S134-D136 VanDerWaalsContact O-N 3.1Å |
| 137 | E | 75.9 | Confident | 87.8 | Confident | 108 Ų | 108 | 76.4 Ų | 76.4 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -83.1 | 142 | 179.1 | -84.9 | -179.4 | 178.9 | 0 | 0 | 112 | V133 S134 | V133-E137 HydrophobicContact CB-CB 4.4Å; V133-E137 WeakPolarHBondContact CB-OE2 3.44Å; V133-E137 WeakPolarHBondContact CG1-OE2 3.23Å; S134-E137 PolarHBondContact O-N 3Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CG 3.3Å |
| 138 | P | 74.2 | Confident | 87.9 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 74% | 0.74 | 42% | 0.419 | S | S | * | . | trans | -60.1 | 150.6 | 174.4 | 26.5 | -33.5 | 0 | 0 | 0 | 110.5 | F140 | P138-F140 PolarHBondContact O-N 3.29Š| ||
| 139 | T | 81.1 | Confident | 87.9 | Confident | 120 Ų | 120 | 69 Ų | 69 | 74% | 0.736 | 39% | 0.394 | S | S | * | . | trans | -45.2 | 118.4 | 178.9 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | M141 | T139-M141 PolarHBondContact O-N 3.27Š| ||
| 140 | F | 89.4 | Confident | 88 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | trans | -57.4 | 124.1 | -179.8 | 176.2 | -99.2 | 0 | 0 | 0 | 110.5 | W111 N116 P131 P138 L142 T161 L166 | W111-F140 HydrophobicContact CH2-CE1 4.03Å; W111-F140 HydrophobicContact CZ2-CD1 4.46Å; W111-F140 AromaticContact CZ2-CE1 3.99Å; W111-F140 HydrophobicContact CZ2-CE1 3.99Å; N116-F140 PolarHBondContact ND2-O 3.18Å; P131-F140 HydrophobicContact CG-CB 3.94Å; P131-F140 HydrophobicContact CG-CD1 3.59Å; P131-F140 HydrophobicContact CG-CD2 3.72Å; P131-F140 HydrophobicContact CG-CE1 3.94Å; P131-F140 HydrophobicContact CG-CE2 4.08Å; P131-F140 HydrophobicContact CG-CG 3.46Å; P131-F140 VanDerWaalsContact CG-CG 3.46Å; P131-F140 HydrophobicContact CG-CZ 4.18Å; P138-F140 PolarHBondContact O-N 3.29Å; F140-L142 HydrophobicContact CE1-CB 3.83Å; F140-L142 HydrophobicContact CE1-CD1 4.02Å; F140-L142 HydrophobicContact CZ-CB 4.5Å; F140-L142 HydrophobicContact CZ-CD1 4.12Å; F140-T161 HydrophobicContact CZ-CG2 4.16Å; F140-L166 HydrophobicContact CE1-CD1 4.15Å; F140-L166 HydrophobicContact CE2-CD2 4.01Å; F140-L166 HydrophobicContact CZ-CD1 3.81Å; F140-L166 HydrophobicContact CZ-CD2 3.85Å | ||
| 141 | M | 91.2 | Very high | 87.9 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 83% | 0.828 | 37% | 0.367 | S | S | * | . | trans | -108.3 | 106.1 | 174.3 | -69.3 | -159.3 | -67.5 | 0 | 0 | 109.4 | T139 | T139-M141 PolarHBondContact O-N 3.27Š| ||
| 142 | L | 94.4 | Very high | 88 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | trans | -62.7 | 125.8 | 175.2 | -175.6 | 64.7 | 0 | 0 | 0 | 109.7 | R78 W111 I113 F140 F146 T161 L166 | R78-L142 PolarHBondContact NH1-O 2.84Å; R78-L142 PolarHBondContact NH2-O 2.86Å; W111-L142 HydrophobicContact CH2-CB 4.35Å; W111-L142 HydrophobicContact CH2-CD1 3.58Å; W111-L142 HydrophobicContact CH2-CD2 3.59Å; W111-L142 HydrophobicContact CH2-CG 4.02Å; W111-L142 HydrophobicContact CZ2-CD2 4.31Å; W111-L142 HydrophobicContact CZ3-CD1 4.06Å; W111-L142 HydrophobicContact CZ3-CD2 3.69Å; W111-L142 HydrophobicContact CZ3-CG 4.47Å; I113-L142 HydrophobicContact CB-CD2 3.73Å; I113-L142 HydrophobicContact CD1-CD2 4.17Å; I113-L142 HydrophobicContact CG2-CD2 3.52Å; F140-L142 HydrophobicContact CE1-CB 3.83Å; F140-L142 HydrophobicContact CE1-CD1 4.02Å; F140-L142 HydrophobicContact CZ-CB 4.5Å; F140-L142 HydrophobicContact CZ-CD1 4.12Å; L142-F146 HydrophobicContact CD1-CB 3.78Å; L142-F146 HydrophobicContact CD1-CD1 4.32Å; L142-F146 HydrophobicContact CD1-CG 3.97Å; L142-F146 HydrophobicContact CD2-CD1 3.68Å; L142-F146 HydrophobicContact CD2-CD2 4.11Å; L142-F146 HydrophobicContact CD2-CE1 3.75Å; L142-F146 HydrophobicContact CD2-CE2 4.16Å; L142-F146 HydrophobicContact CD2-CG 3.86Å; L142-F146 HydrophobicContact CD2-CZ 3.98Å; L142-F146 HydrophobicContact CG-CB 4.36Å; L142-F146 HydrophobicContact CG-CD1 3.97Å; L142-F146 HydrophobicContact CG-CE1 4.47Å; L142-F146 HydrophobicContact CG-CG 4.12Å; L142-T161 HydrophobicContact CD1-CG2 4.06Å; L142-L166 HydrophobicContact CD1-CD1 4.41Å | ||
| 143 | P | 95.6 | Very high | 88.1 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | trans | -58.8 | 166.4 | 172.2 | 24.6 | -35.6 | 0 | 0 | 0 | 111.9 | R78 D145 T161 | R78-P143 PolarHBondContact NH2-O 3.08Å; P143-D145 VanDerWaalsContact C-N 3.26Å; P143-D145 WeakPolarHBondContact CG-O 3.32Å; P143-D145 PolarHBondContact O-N 2.87Å; P143-T161 HydrophobicContact CG-CG2 3.99Å | ||
| 144 | Q | 97.1 | Very high | 88.6 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -63.5 | -36.2 | 178.4 | 75.4 | -173.7 | 0.8 | 0 | 0 | 112 | C72 W73 T75 | C72-Q144 WeakPolarHBondContact CA-O 3.28Å; W73-Q144 PolarHBondContact N-O 3.38Å; W73-Q144 WeakPolarHBondContact O-CA 3.37Å; T75-Q144 HydrophobicContact CG2-CB 4.34Å |
| 145 | D | 96.5 | Very high | 89.6 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.2 | -178.8 | -54.4 | -58.6 | 0 | 0 | 0 | 109.5 | V71 C72 P143 | V71-D145 WeakPolarHBondContact O-CA 3.41Å; C72-D145 PolarHBondContact SG-OD1 3.13Å; P143-D145 VanDerWaalsContact C-N 3.26Å; P143-D145 WeakPolarHBondContact CG-O 3.32Å; P143-D145 PolarHBondContact O-N 2.87Å |
| 146 | F | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 164.4 | -179.5 | 63.3 | -85.1 | 0 | 0 | 0 | 110.6 | V71 W73 I84 L142 F159 C160 | V71-F146 HydrophobicContact CB-CD1 4.43Å; V71-F146 HydrophobicContact CB-CD2 4.22Å; V71-F146 HydrophobicContact CB-CE1 4.08Å; V71-F146 HydrophobicContact CB-CE2 3.86Å; V71-F146 HydrophobicContact CB-CZ 3.79Å; V71-F146 WeakPolarHBondContact CB-O 3.49Å; V71-F146 HydrophobicContact CG1-CE1 3.81Å; V71-F146 HydrophobicContact CG1-CE2 4.02Å; V71-F146 HydrophobicContact CG1-CZ 3.47Å; V71-F146 VanDerWaalsContact CG1-CZ 3.47Å; V71-F146 HydrophobicContact CG2-CE2 4.18Å; V71-F146 HydrophobicContact CG2-CZ 4.47Å; V71-F146 PolarHBondContact N-O 3.1Å; V71-F146 PolarHBondContact O-N 3.11Å; W73-F146 HydrophobicContact CB-CE1 4.18Å; I84-F146 HydrophobicContact CD1-CE2 3.94Å; I84-F146 HydrophobicContact CD1-CZ 3.96Å; I84-F146 HydrophobicContact CG2-CE2 4.05Å; I84-F146 HydrophobicContact CG2-CZ 4.18Å; L142-F146 HydrophobicContact CD1-CB 3.78Å; L142-F146 HydrophobicContact CD1-CD1 4.32Å; L142-F146 HydrophobicContact CD1-CG 3.97Å; L142-F146 HydrophobicContact CD2-CD1 3.68Å; L142-F146 HydrophobicContact CD2-CD2 4.11Å; L142-F146 HydrophobicContact CD2-CE1 3.75Å; L142-F146 HydrophobicContact CD2-CE2 4.16Å; L142-F146 HydrophobicContact CD2-CG 3.86Å; L142-F146 HydrophobicContact CD2-CZ 3.98Å; L142-F146 HydrophobicContact CG-CB 4.36Å; L142-F146 HydrophobicContact CG-CD1 3.97Å; L142-F146 HydrophobicContact CG-CE1 4.47Å; L142-F146 HydrophobicContact CG-CG 4.12Å; F146-F159 HydrophobicContact CD2-CD1 4.44Å; F146-F159 HydrophobicContact CE2-CD1 4.38Å; F146-C160 WeakPolarHBondContact CB-O 3.33Å |
| 147 | F | 95.6 | Very high | 92 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.7 | -179.9 | -60.2 | -84 | 0 | 0 | 0 | 111.7 | V9 V68 W69 D70 F159 C160 V196 | V9-F147 HydrophobicContact CG1-CB 3.72Å; V9-F147 HydrophobicContact CG1-CD1 4.04Å; V9-F147 HydrophobicContact CG1-CD2 4.01Å; V9-F147 HydrophobicContact CG1-CG 3.65Å; V68-F147 HydrophobicContact CG1-CB 4.41Å; V68-F147 HydrophobicContact CG1-CD1 3.99Å; W69-F147 VanDerWaalsContact O-CA 3.25Å; W69-F147 WeakPolarHBondContact O-CA 3.31Å; D70-F147 HydrophobicContact CB-CD1 4.06Å; D70-F147 HydrophobicContact CB-CE1 3.79Å; F147-F159 VanDerWaalsContact O-CA 3.31Å; F147-F159 WeakPolarHBondContact O-CA 3.26Å; F147-C160 HydrophobicContact CB-CB 4.09Å; F147-C160 HydrophobicContact CD2-CB 4.33Å; F147-C160 PolarHBondContact N-O 2.79Å; F147-C160 PolarHBondContact O-N 2.86Å; F147-V196 HydrophobicContact CD1-CG2 4.27Å; F147-V196 HydrophobicContact CE1-CG2 4.09Å |
| 148 | M | 97.1 | Very high | 93 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.2 | 164.5 | -177.6 | 171.1 | 70.9 | 0 | 0 | 109.1 | V68 W69 V71 I84 V86 L157 F159 P180 | V68-M148 WeakPolarHBondContact CA-O 3.46Å; W69-M148 HydrophobicContact CD2-CE 4.13Å; W69-M148 HydrophobicContact CE3-CB 4.45Å; W69-M148 HydrophobicContact CE3-CE 3.73Å; W69-M148 HydrophobicContact CE3-CG 4.44Å; W69-M148 HydrophobicContact CZ3-CE 4.17Å; W69-M148 PolarHBondContact N-O 3.23Å; W69-M148 PolarHBondContact O-N 2.97Å; V71-M148 HydrophobicContact CG2-CB 4.31Å; I84-M148 HydrophobicContact CD1-SD 4.4Å; I84-M148 HydrophobicContact CG1-SD 4Å; V86-M148 HydrophobicContact CG1-SD 4.49Å; M148-L157 HydrophobicContact CG-CD1 3.71Å; M148-L157 HydrophobicContact SD-CD1 4.17Å; M148-F159 HydrophobicContact CB-CD1 4.17Å; M148-F159 HydrophobicContact CB-CE1 4.06Å; M148-F159 HydrophobicContact CG-CD1 4.25Å; M148-F159 HydrophobicContact CG-CE1 3.78Å; M148-F159 HydrophobicContact CG-CZ 4.49Å; M148-F159 HydrophobicContact SD-CE1 4.12Å; M148-P180 HydrophobicContact CE-CB 3.74Å; M148-P180 HydrophobicContact CE-CG 4.18Å |
| 149 | V | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 114 | -174 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | V9 F66 H67 V68 L157 A158 | V9-V149 HydrophobicContact CG1-CG2 4.15Å; V9-V149 HydrophobicContact CG2-CG2 3.82Å; F66-V149 HydrophobicContact CD2-CG1 4.45Å; F66-V149 HydrophobicContact CE1-CG1 4.13Å; F66-V149 HydrophobicContact CE2-CG1 3.48Å; F66-V149 VanDerWaalsContact CE2-CG1 3.48Å; F66-V149 HydrophobicContact CZ-CG1 3.28Å; H67-V149 WeakPolarHBondContact O-CA 3.23Å; V68-V149 HydrophobicContact CG1-CG2 4.48Å; V68-V149 HydrophobicContact CG2-CG1 4.38Å; V68-V149 HydrophobicContact CG2-CG2 4.36Å; V149-L157 WeakPolarHBondContact O-CA 3.48Å; V149-A158 HydrophobicContact CB-CB 4.37Å; V149-A158 PolarHBondContact N-O 2.94Å; V149-A158 PolarHBondContact O-N 3.14Å |
| 150 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112.8 | 176.4 | -179.5 | 66.6 | 0 | 0 | 0 | 109.6 | Y62 H67 W69 V86 M152 L157 L173 L178 | Y62-L150 HydrophobicContact CD2-CD2 4.44Å; H67-L150 HydrophobicContact CB-CB 4.5Å; H67-L150 PolarHBondContact N-O 3.03Å; H67-L150 PolarHBondContact O-N 3.49Å; W69-L150 HydrophobicContact CH2-CB 4.05Å; W69-L150 HydrophobicContact CH2-CD2 4.23Å; W69-L150 HydrophobicContact CZ3-CB 3.69Å; V86-L150 HydrophobicContact CG1-CD1 4.25Å; V86-L150 HydrophobicContact CG1-CD2 4.24Å; L150-M152 HydrophobicContact CD1-SD 3.84Å; L150-M152 HydrophobicContact CD2-CG 3.96Å; L150-M152 HydrophobicContact CD2-SD 3.91Å; L150-M152 HydrophobicContact CG-CG 3.98Å; L150-M152 HydrophobicContact CG-SD 3.92Å; L150-L157 HydrophobicContact CD1-CB 4.49Å; L150-L157 HydrophobicContact CD1-CD1 4.49Å; L150-L173 HydrophobicContact CD1-CD1 3.92Å; L150-L178 HydrophobicContact CD1-CD1 4.36Å; L150-L178 HydrophobicContact CD2-CB 4.31Å |
| 151 | D | 94.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 102.3 | 171.1 | -170.9 | -27.4 | 0 | 0 | 0 | 108.4 | F66 D153 E154 G155 T156 | F66-D151 HydrophobicContact CD2-CB 3.84Å; F66-D151 HydrophobicContact CE2-CB 4.36Å; D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 WeakPolarHBondContact OD1-CA 3.35Å; D151-D153 WeakPolarHBondContact OD1-CB 3.27Å; D151-D153 PolarHBondContact OD1-N 3.46Å; D151-E154 HydrophobicContact CB-CB 4.37Å; D151-E154 PolarHBondContact OD1-N 3.46Å; D151-G155 CarbonylContact O-C 3.54Å; D151-G155 WeakPolarHBondContact O-CA 3.38Å; D151-G155 PolarHBondContact O-N 2.8Å; D151-T156 PolarHBondContact N-O 3.04Å; D151-T156 PolarHBondContact O-N 3.33Å |
| 152 | M | 93.3 | Very high | 94 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.7 | 177.5 | -71.1 | -56.9 | -67.9 | 0 | 0 | 112.8 | G65 L150 L173 K176 L178 | G65-M152 PolarHBondContact O-N 3.43Å; L150-M152 HydrophobicContact CD1-SD 3.84Å; L150-M152 HydrophobicContact CD2-CG 3.96Å; L150-M152 HydrophobicContact CD2-SD 3.91Å; L150-M152 HydrophobicContact CG-CG 3.98Å; L150-M152 HydrophobicContact CG-SD 3.92Å; M152-L173 WeakPolarHBondContact CE-O 3.39Å; M152-K176 HydrophobicContact CE-CB 4.48Å; M152-K176 VanDerWaalsContact CE-O 3.25Å; M152-K176 WeakPolarHBondContact CE-O 3.22Å; M152-L178 HydrophobicContact CE-CD1 4.23Å; M152-L178 HydrophobicContact CE-CG 4.32Å; M152-L178 HydrophobicContact SD-CB 4.42Å; M152-L178 HydrophobicContact SD-CD1 3.87Å; M152-L178 HydrophobicContact SD-CG 4.34Å |
| 153 | D | 88.2 | Confident | 93.3 | Very high | 87 Ų | 87 | 30.6 Ų | 30.6 | 47% | 0.465 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -39.3 | 177.3 | -62.6 | -28.4 | 0 | 0 | 0 | 110.3 | G65 D151 K174 | G65-D153 VanDerWaalsContact CA-OD2 3.3Å; G65-D153 WeakPolarHBondContact CA-OD2 3.35Å; G65-D153 PolarHBondContact N-OD1 3.49Å; G65-D153 PolarHBondContact N-OD2 2.99Å; D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 WeakPolarHBondContact OD1-CA 3.35Å; D151-D153 WeakPolarHBondContact OD1-CB 3.27Å; D151-D153 PolarHBondContact OD1-N 3.46Å; D153-K174 WeakPolarHBondContact O-CE 3.34Å; D153-K174 PolarHBondContact O-NZ 3.17Å |
| 154 | E | 90.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 38% | 0.383 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -16.6 | 171.3 | -68.1 | -69.6 | -175.5 | 0 | 0 | 113.4 | F2 D151 T156 K174 | F2-E154 HydrophobicContact CE2-CB 3.88Å; F2-E154 HydrophobicContact CE2-CG 3.61Å; F2-E154 HydrophobicContact CZ-CB 3.53Å; F2-E154 HydrophobicContact CZ-CG 3.64Å; D151-E154 HydrophobicContact CB-CB 4.37Å; D151-E154 PolarHBondContact OD1-N 3.46Å; E154-T156 HydrophobicContact CB-CG2 4.35Å; E154-K174 VanDerWaalsContact CA-CE 3.47Å; E154-K174 WeakPolarHBondContact O-CE 3.47Å; E154-K174 IonicContact OE2-NZ 3.74Å |
| 155 | G | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 44.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D151 H171 S172 L173 | D151-G155 CarbonylContact O-C 3.54Å; D151-G155 WeakPolarHBondContact O-CA 3.38Å; D151-G155 PolarHBondContact O-N 2.8Å; G155-H171 CarbonylContact O-C 3.57Å; G155-H171 VanDerWaalsContact O-C 3.26Å; G155-H171 WeakPolarHBondContact O-CA 3.28Å; G155-S172 PolarHBondContact O-N 3.36Å; G155-L173 WeakPolarHBondContact O-CB 3.25Å; G155-L173 PolarHBondContact O-N 3.03Å |
| 156 | T | 97 | Very high | 92.3 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.8 | -178.4 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | F2 D151 E154 V168 F170 | F2-T156 HydrophobicContact CZ-CG2 4.07Å; D151-T156 PolarHBondContact N-O 3.04Å; D151-T156 PolarHBondContact O-N 3.33Å; E154-T156 HydrophobicContact CB-CG2 4.35Å; T156-V168 HydrophobicContact CG2-CG1 3.99Å; T156-F170 CarbonylContact C-O 3.49Å; T156-F170 WeakPolarHBondContact CA-O 3.44Å |
| 157 | L | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.5 | 168.3 | 175.5 | 64.7 | 0 | 0 | 0 | 108.4 | V86 M148 V149 L150 F159 A169 F170 L173 | V86-L157 HydrophobicContact CG1-CD1 4.13Å; V86-L157 HydrophobicContact CG1-CD2 4.31Å; V86-L157 HydrophobicContact CG2-CD2 3.87Å; M148-L157 HydrophobicContact CG-CD1 3.71Å; M148-L157 HydrophobicContact SD-CD1 4.17Å; V149-L157 WeakPolarHBondContact O-CA 3.48Å; L150-L157 HydrophobicContact CD1-CB 4.49Å; L150-L157 HydrophobicContact CD1-CD1 4.49Å; L157-F159 HydrophobicContact CD2-CE2 4.38Å; L157-F159 HydrophobicContact CD2-CZ 4.18Å; L157-F159 HydrophobicContact CG-CE2 4.3Å; L157-F159 HydrophobicContact CG-CZ 4.32Å; L157-A169 WeakPolarHBondContact O-CA 3.33Å; L157-A169 WeakPolarHBondContact O-CB 3.16Å; L157-A169 PolarHBondContact O-N 2.99Å; L157-F170 HydrophobicContact CB-CB 4.25Å; L157-F170 HydrophobicContact CB-CD2 4.23Å; L157-F170 HydrophobicContact CD2-CD2 3.74Å; L157-F170 HydrophobicContact CD2-CE2 4.18Å; L157-F170 HydrophobicContact CG-CD2 4.28Å; L157-F170 PolarHBondContact N-O 3.05Å; L157-F170 PolarHBondContact O-N 3.08Å; L157-L173 HydrophobicContact CB-CD1 3.72Å |
| 158 | A | 96.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V149 Y165 G167 | V149-A158 HydrophobicContact CB-CB 4.37Å; V149-A158 PolarHBondContact N-O 2.94Å; V149-A158 PolarHBondContact O-N 3.14Å; A158-Y165 HydrophobicContact CB-CE2 3.65Å; A158-Y165 WeakPolarHBondContact CB-OH 3.41Å; A158-G167 WeakPolarHBondContact CB-O 3.24Å |
| 159 | F | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.6 | 177.7 | -59.1 | -87.8 | 0 | 0 | 0 | 111.3 | I84 W111 Y130 F146 F147 M148 L157 L166 A169 | I84-F159 HydrophobicContact CG2-CE1 3.78Å; I84-F159 HydrophobicContact CG2-CZ 4.17Å; W111-F159 HydrophobicContact CB-CD2 4.48Å; W111-F159 HydrophobicContact CB-CE2 3.69Å; W111-F159 HydrophobicContact CB-CZ 3.86Å; W111-F159 HydrophobicContact CD2-CD2 4.16Å; W111-F159 HydrophobicContact CD2-CE2 4.22Å; W111-F159 HydrophobicContact CD2-CG 4.48Å; W111-F159 HydrophobicContact CE3-CB 4Å; W111-F159 AromaticContact CE3-CD1 3.6Å; W111-F159 HydrophobicContact CE3-CD1 3.6Å; W111-F159 AromaticContact CE3-CD2 3.45Å; W111-F159 HydrophobicContact CE3-CD2 3.45Å; W111-F159 VanDerWaalsContact CE3-CD2 3.45Å; W111-F159 AromaticContact CE3-CE1 3.86Å; W111-F159 HydrophobicContact CE3-CE1 3.86Å; W111-F159 AromaticContact CE3-CE2 3.71Å; W111-F159 HydrophobicContact CE3-CE2 3.71Å; W111-F159 AromaticContact CE3-CG 3.38Å; W111-F159 HydrophobicContact CE3-CG 3.38Å; W111-F159 AromaticContact CE3-CZ 3.9Å; W111-F159 HydrophobicContact CE3-CZ 3.9Å; W111-F159 HydrophobicContact CG-CE2 4.27Å; W111-F159 HydrophobicContact CH2-CB 4.48Å; W111-F159 HydrophobicContact CZ3-CB 3.6Å; W111-F159 AromaticContact CZ3-CD1 3.82Å; W111-F159 HydrophobicContact CZ3-CD1 3.82Å; W111-F159 AromaticContact CZ3-CD2 3.99Å; W111-F159 HydrophobicContact CZ3-CD2 3.99Å; W111-F159 HydrophobicContact CZ3-CE1 4.49Å; W111-F159 AromaticContact CZ3-CG 3.52Å; W111-F159 HydrophobicContact CZ3-CG 3.52Å; Y130-F159 HydrophobicContact CE1-CB 4.14Å; Y130-F159 AromaticContact CE1-CD2 3.69Å; Y130-F159 HydrophobicContact CE1-CD2 3.69Å; Y130-F159 HydrophobicContact CE1-CG 4.31Å; Y130-F159 AromaticContact CZ-CD2 3.94Å; Y130-F159 PolarHBondContact OH-N 2.95Å; Y130-F159 VanDerWaalsContact OH-N 3.14Å; F146-F159 HydrophobicContact CD2-CD1 4.44Å; F146-F159 HydrophobicContact CE2-CD1 4.38Å; F147-F159 VanDerWaalsContact O-CA 3.31Å; F147-F159 WeakPolarHBondContact O-CA 3.26Å; M148-F159 HydrophobicContact CB-CD1 4.17Å; M148-F159 HydrophobicContact CB-CE1 4.06Å; M148-F159 HydrophobicContact CG-CD1 4.25Å; M148-F159 HydrophobicContact CG-CE1 3.78Å; M148-F159 HydrophobicContact CG-CZ 4.49Å; M148-F159 HydrophobicContact SD-CE1 4.12Å; L157-F159 HydrophobicContact CD2-CE2 4.38Å; L157-F159 HydrophobicContact CD2-CZ 4.18Å; L157-F159 HydrophobicContact CG-CE2 4.3Å; L157-F159 HydrophobicContact CG-CZ 4.32Å; F159-L166 HydrophobicContact CB-CD1 4.17Å; F159-L166 VanDerWaalsContact O-CB 3.28Å; F159-L166 WeakPolarHBondContact O-CB 3.32Å; F159-L166 PolarHBondContact O-N 3.34Å; F159-A169 HydrophobicContact CD2-CB 4.03Å; F159-A169 HydrophobicContact CE2-CB 3.91Å |
| 160 | C | 93 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.4 | 174.7 | -40.8 | 0 | 0 | 0 | 0 | 109.7 | V9 F146 F147 Q164 Y165 | V9-C160 HydrophobicContact CG1-CB 4.33Å; F146-C160 WeakPolarHBondContact CB-O 3.33Å; F147-C160 HydrophobicContact CB-CB 4.09Å; F147-C160 HydrophobicContact CD2-CB 4.33Å; F147-C160 PolarHBondContact N-O 2.79Å; F147-C160 PolarHBondContact O-N 2.86Å; C160-Q164 CarbonylContact C-O 3.48Å; C160-Q164 VanDerWaalsContact CA-O 3.25Å; C160-Q164 WeakPolarHBondContact CA-O 3.44Å; C160-Y165 VanDerWaalsContact SG-CD2 3.55Å |
| 161 | T | 90.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | trans | -90.1 | 174.4 | 156.1 | 68.9 | 0 | 0 | 0 | 0 | 108.9 | F140 L142 P143 T163 Q164 L166 | F140-T161 HydrophobicContact CZ-CG2 4.16Å; L142-T161 HydrophobicContact CD1-CG2 4.06Å; P143-T161 HydrophobicContact CG-CG2 3.99Å; T161-T163 PolarHBondContact O-N 2.88Å; T161-T163 PolarHBondContact OG1-N 3.18Å; T161-T163 PolarHBondContact OG1-OG1 3.08Å; T161-Q164 PolarHBondContact N-O 2.99Å; T161-Q164 PolarHBondContact O-N 3.43Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.43Å; T161-Q164 PolarHBondContact OG1-N 3.4Å; T161-Q164 PolarHBondContact OG1-O 2.83Å; T161-L166 HydrophobicContact CG2-CD1 4.35Å; T161-L166 HydrophobicContact CG2-CD2 4.37Å | ||
| 162 | G | 79.1 | Confident | 92.4 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -58 | -16.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I10 | I10-G162 WeakPolarHBondContact CG2-O 3.25Š|
| 163 | T | 79.5 | Confident | 92.6 | Very high | 127 Ų | 127 | 40 Ų | 40 | 78% | 0.779 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -118.3 | -19.4 | -176.3 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | T161 | T161-T163 PolarHBondContact O-N 2.88Å; T161-T163 PolarHBondContact OG1-N 3.18Å; T161-T163 PolarHBondContact OG1-OG1 3.08Å |
| 164 | Q | 86.1 | Confident | 92.9 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | trans | -142.4 | 131.9 | -167 | -169.6 | 178.8 | 16 | 0 | 0 | 112.3 | C160 T161 L166 | C160-Q164 CarbonylContact C-O 3.48Å; C160-Q164 VanDerWaalsContact CA-O 3.25Å; C160-Q164 WeakPolarHBondContact CA-O 3.44Å; T161-Q164 PolarHBondContact N-O 2.99Å; T161-Q164 PolarHBondContact O-N 3.43Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.43Å; T161-Q164 PolarHBondContact OG1-N 3.4Å; T161-Q164 PolarHBondContact OG1-O 2.83Å; Q164-L166 HydrophobicContact CB-CD2 4.46Å; Q164-L166 HydrophobicContact CG-CD2 4.17Å | ||
| 165 | Y | 89 | Confident | 93 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 123.6 | 164.1 | 178 | -119.5 | 0 | 0 | 0 | 109.4 | A158 C160 G167 V168 | A158-Y165 HydrophobicContact CB-CE2 3.65Å; A158-Y165 WeakPolarHBondContact CB-OH 3.41Å; C160-Y165 VanDerWaalsContact SG-CD2 3.55Å; Y165-G167 VanDerWaalsContact C-N 3.32Å; Y165-V168 WeakPolarHBondContact OH-CG2 3.36Å |
| 166 | L | 92.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -0.3 | -172.6 | -58.6 | -179.5 | 0 | 0 | 0 | 113.6 | W111 Y130 P131 F140 L142 F159 T161 Q164 | W111-L166 HydrophobicContact CH2-CD1 3.6Å; W111-L166 HydrophobicContact CZ2-CD1 4.42Å; W111-L166 HydrophobicContact CZ3-CD1 4.17Å; Y130-L166 HydrophobicContact CE1-CB 4Å; Y130-L166 HydrophobicContact CE1-CD1 4.29Å; Y130-L166 WeakPolarHBondContact CE2-O 3.49Å; Y130-L166 VanDerWaalsContact OH-CB 3.29Å; Y130-L166 WeakPolarHBondContact OH-CB 3.12Å; P131-L166 HydrophobicContact CB-CB 4.24Å; P131-L166 HydrophobicContact CB-CD2 4.22Å; P131-L166 HydrophobicContact CG-CD2 4.43Å; F140-L166 HydrophobicContact CE1-CD1 4.15Å; F140-L166 HydrophobicContact CE2-CD2 4.01Å; F140-L166 HydrophobicContact CZ-CD1 3.81Å; F140-L166 HydrophobicContact CZ-CD2 3.85Å; L142-L166 HydrophobicContact CD1-CD1 4.41Å; F159-L166 HydrophobicContact CB-CD1 4.17Å; F159-L166 VanDerWaalsContact O-CB 3.28Å; F159-L166 WeakPolarHBondContact O-CB 3.32Å; F159-L166 PolarHBondContact O-N 3.34Å; T161-L166 HydrophobicContact CG2-CD1 4.35Å; T161-L166 HydrophobicContact CG2-CD2 4.37Å; Q164-L166 HydrophobicContact CB-CD2 4.46Å; Q164-L166 HydrophobicContact CG-CD2 4.17Å |
| 167 | G | 92.2 | Very high | 93.2 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y130 A158 Y165 | Y130-G167 PolarHBondContact OH-O 3.01Å; A158-G167 WeakPolarHBondContact CB-O 3.24Å; Y165-G167 VanDerWaalsContact C-N 3.32Å |
| 168 | V | 95.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.1 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | F2 T156 Y165 F170 H171 | F2-V168 HydrophobicContact CD1-CG2 4.49Å; F2-V168 HydrophobicContact CE1-CG2 4.41Å; T156-V168 HydrophobicContact CG2-CG1 3.99Å; Y165-V168 WeakPolarHBondContact OH-CG2 3.36Å; V168-F170 WeakPolarHBondContact CG1-O 3.38Å; V168-H171 WeakPolarHBondContact CG1-CE1 3.31Å; V168-H171 WeakPolarHBondContact CG1-NE2 3.45Å |
| 169 | A | 97.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L118 Y130 L157 F159 | L118-A169 HydrophobicContact CD1-CB 3.83Å; L118-A169 VanDerWaalsContact CD1-O 3.24Å; L118-A169 WeakPolarHBondContact CD1-O 3.28Å; L118-A169 HydrophobicContact CD2-CB 3.76Å; L118-A169 HydrophobicContact CG-CB 4.46Å; Y130-A169 HydrophobicContact CD2-CB 4.18Å; Y130-A169 HydrophobicContact CE2-CB 3.83Å; L157-A169 WeakPolarHBondContact O-CA 3.33Å; L157-A169 WeakPolarHBondContact O-CB 3.16Å; L157-A169 PolarHBondContact O-N 2.99Å; F159-A169 HydrophobicContact CD2-CB 4.03Å; F159-A169 HydrophobicContact CE2-CB 3.91Å |
| 170 | F | 97.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.9 | -178.2 | -57.4 | -83.8 | 0 | 0 | 0 | 111.9 | W109 G110 L118 Y119 H120 T156 L157 V168 | W109-F170 HydrophobicContact CB-CD1 4.16Å; W109-F170 HydrophobicContact CB-CD2 3.87Å; W109-F170 HydrophobicContact CB-CE1 4.22Å; W109-F170 HydrophobicContact CB-CE2 3.93Å; W109-F170 HydrophobicContact CB-CG 3.95Å; W109-F170 HydrophobicContact CB-CZ 4.09Å; W109-F170 AromaticContact CD1-CD1 3.59Å; W109-F170 AromaticContact CD1-CG 3.85Å; W109-F170 HydrophobicContact CG-CD1 4.27Å; W109-F170 HydrophobicContact CG-CG 4.24Å; G110-F170 WeakPolarHBondContact O-CZ 3.46Å; L118-F170 HydrophobicContact CB-CE1 3.96Å; L118-F170 HydrophobicContact CB-CE2 4.44Å; L118-F170 HydrophobicContact CB-CZ 3.68Å; L118-F170 HydrophobicContact CD2-CE2 3.87Å; L118-F170 HydrophobicContact CD2-CZ 3.94Å; L118-F170 HydrophobicContact CG-CZ 4.25Å; Y119-F170 WeakPolarHBondContact O-CZ 3.22Å; H120-F170 HydrophobicContact CB-CD1 4.34Å; H120-F170 HydrophobicContact CB-CE1 3.88Å; T156-F170 CarbonylContact C-O 3.49Å; T156-F170 WeakPolarHBondContact CA-O 3.44Å; L157-F170 HydrophobicContact CB-CB 4.25Å; L157-F170 HydrophobicContact CB-CD2 4.23Å; L157-F170 HydrophobicContact CD2-CD2 3.74Å; L157-F170 HydrophobicContact CD2-CE2 4.18Å; L157-F170 HydrophobicContact CG-CD2 4.28Å; L157-F170 PolarHBondContact N-O 3.05Å; L157-F170 PolarHBondContact O-N 3.08Å; V168-F170 WeakPolarHBondContact CG1-O 3.38Å |
| 171 | H | 96.6 | Very high | 93.7 | Very high | 118 Ų | 118 | 50.6 Ų | 50.6 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | trans | -120.1 | 179.7 | 176.9 | -60.5 | 84.8 | 0 | 0 | 0 | 110.1 | G155 V168 L173 | G155-H171 CarbonylContact O-C 3.57Å; G155-H171 VanDerWaalsContact O-C 3.26Å; G155-H171 WeakPolarHBondContact O-CA 3.28Å; V168-H171 WeakPolarHBondContact CG1-CE1 3.31Å; V168-H171 WeakPolarHBondContact CG1-NE2 3.45Å; H171-L173 VanDerWaalsContact C-N 3.3Å; H171-L173 PolarHBondContact O-N 3.41Å | ||
| 172 | S | 95.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | trans | 62.6 | 31.9 | 171.9 | -54.8 | 0 | 0 | 0 | 0 | 114.8 | G155 K176 | G155-S172 PolarHBondContact O-N 3.36Å; S172-K176 PolarHBondContact O-NZ 2.86Å | ||
| 173 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -87.5 | -7.3 | 179 | -56.4 | -177.6 | 0 | 0 | 0 | 113.9 | V86 W109 L150 M152 G155 L157 H171 K176 L178 | V86-L173 HydrophobicContact CG2-CD1 4.35Å; W109-L173 HydrophobicContact CD2-CD2 3.6Å; W109-L173 VanDerWaalsContact CE2-CD2 3.45Å; W109-L173 HydrophobicContact CE3-CD2 4.15Å; W109-L173 HydrophobicContact CG-CD2 3.96Å; W109-L173 HydrophobicContact CH2-CD2 4.5Å; W109-L173 HydrophobicContact CZ2-CD2 3.94Å; L150-L173 HydrophobicContact CD1-CD1 3.92Å; M152-L173 WeakPolarHBondContact CE-O 3.39Å; G155-L173 WeakPolarHBondContact O-CB 3.25Å; G155-L173 PolarHBondContact O-N 3.03Å; L157-L173 HydrophobicContact CB-CD1 3.72Å; H171-L173 VanDerWaalsContact C-N 3.3Å; H171-L173 PolarHBondContact O-N 3.41Å; L173-K176 WeakPolarHBondContact O-CB 3.49Å; L173-L178 HydrophobicContact CB-CD1 3.8Å; L173-L178 HydrophobicContact CD1-CD1 4.02Å; L173-L178 HydrophobicContact CD2-CD1 4.11Å; L173-L178 HydrophobicContact CG-CD1 4.19Å | ||
| 174 | K | 94.7 | Very high | 96 | Very high | 111 Ų | 111 | 42.1 Ų | 42.1 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 150.6 | 178.9 | -57.9 | -165.3 | -168.1 | -161.6 | 0 | 112 | D153 E154 K176 | D153-K174 WeakPolarHBondContact O-CE 3.34Å; D153-K174 PolarHBondContact O-NZ 3.17Å; E154-K174 VanDerWaalsContact CA-CE 3.47Å; E154-K174 WeakPolarHBondContact O-CE 3.47Å; E154-K174 IonicContact OE2-NZ 3.74Å; K174-K176 PolarHBondContact O-N 2.89Å |
| 175 | G | 93.5 | Very high | 96.6 | Very high | 85 Ų | 85 | 37.6 Ų | 37.6 | 88% | 0.876 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 4.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 176 | K | 97.5 | Very high | 97 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | trans | -101.5 | 166.8 | 178.5 | -61.3 | 176.8 | 179.5 | 64.4 | 0 | 110.9 | S63 W109 M152 S172 L173 K174 L178 | S63-K176 WeakPolarHBondContact CA-O 3.32Å; S63-K176 WeakPolarHBondContact CB-O 3.4Å; S63-K176 PolarHBondContact OG-O 3.39Å; W109-K176 HydrophobicContact CH2-CD 3.54Å; W109-K176 HydrophobicContact CZ2-CD 4Å; W109-K176 HydrophobicContact CZ3-CD 4.31Å; M152-K176 HydrophobicContact CE-CB 4.48Å; M152-K176 VanDerWaalsContact CE-O 3.25Å; M152-K176 WeakPolarHBondContact CE-O 3.22Å; S172-K176 PolarHBondContact O-NZ 2.86Å; L173-K176 WeakPolarHBondContact O-CB 3.49Å; K174-K176 PolarHBondContact O-N 2.89Å; K176-L178 HydrophobicContact CB-CD1 4.39Å; K176-L178 HydrophobicContact CB-CD2 3.98Å; K176-L178 HydrophobicContact CB-CG 3.91Å; K176-L178 HydrophobicContact CD-CD2 4.35Å | ||
| 177 | K | 98.2 | Very high | 97.3 | Very high | 108 Ų | 108 | 41.2 Ų | 41.2 | 47% | 0.47 | 23% | 0.232 | S | C | . | . | trans | -113 | 112 | 162.8 | -172.5 | 178.5 | -177.2 | -173.8 | 0 | 108 | G61 Y62 S63 Y179 | G61-K177 WeakPolarHBondContact O-CE 3.46Å; Y62-K177 WeakPolarHBondContact O-CA 3.29Å; S63-K177 WeakPolarHBondContact OG-CA 3.42Å; S63-K177 WeakPolarHBondContact OG-CB 3.44Å; K177-Y179 HydrophobicContact CD-CE2 4.26Å; K177-Y179 WeakPolarHBondContact CE-OH 3.39Å; K177-Y179 HydrophobicContact CG-CE2 4.02Å; K177-Y179 PolarHBondContact NZ-OH 3.37Å | ||
| 178 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 137.1 | -169.8 | -64.6 | -177.8 | 0 | 0 | 0 | 111.4 | G61 Y62 V86 A87 T88 W109 L150 M152 L173 K176 | G61-L178 CarbonylContact C-O 3.35Å; G61-L178 WeakPolarHBondContact CA-O 3.21Å; Y62-L178 WeakPolarHBondContact CD2-O 3.36Å; Y62-L178 PolarHBondContact N-O 2.99Å; Y62-L178 PolarHBondContact O-N 2.92Å; V86-L178 HydrophobicContact CB-CB 4.21Å; V86-L178 HydrophobicContact CG2-CB 4.47Å; V86-L178 HydrophobicContact CG2-CD1 3.88Å; A87-L178 CarbonylContact O-C 3.26Å; A87-L178 WeakPolarHBondContact O-CA 3.36Å; T88-L178 HydrophobicContact CG2-CD2 3.94Å; W109-L178 HydrophobicContact CE3-CD2 4.04Å; W109-L178 HydrophobicContact CH2-CD2 4.23Å; W109-L178 HydrophobicContact CZ3-CD2 3.44Å; W109-L178 VanDerWaalsContact CZ3-CD2 3.44Å; L150-L178 HydrophobicContact CD1-CD1 4.36Å; L150-L178 HydrophobicContact CD2-CB 4.31Å; M152-L178 HydrophobicContact CE-CD1 4.23Å; M152-L178 HydrophobicContact CE-CG 4.32Å; M152-L178 HydrophobicContact SD-CB 4.42Å; M152-L178 HydrophobicContact SD-CD1 3.87Å; M152-L178 HydrophobicContact SD-CG 4.34Å; L173-L178 HydrophobicContact CB-CD1 3.8Å; L173-L178 HydrophobicContact CD1-CD1 4.02Å; L173-L178 HydrophobicContact CD2-CD1 4.11Å; L173-L178 HydrophobicContact CG-CD1 4.19Å; K176-L178 HydrophobicContact CB-CD1 4.39Å; K176-L178 HydrophobicContact CB-CD2 3.98Å; K176-L178 HydrophobicContact CB-CG 3.91Å; K176-L178 HydrophobicContact CD-CD2 4.35Å |
| 179 | Y | 98.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 11% | 0.114 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.4 | -178.7 | -62.7 | -102.1 | 0 | 0 | 0 | 108.4 | G58 M60 G61 V86 A87 I89 K177 I181 | G58-Y179 WeakPolarHBondContact O-CD1 3.3Å; M60-Y179 WeakPolarHBondContact O-CD1 3.31Å; G61-Y179 VanDerWaalsContact CA-CD1 3.49Å; G61-Y179 VanDerWaalsContact CA-CE1 3.41Å; G61-Y179 VanDerWaalsContact N-CE1 3.29Å; V86-Y179 CarbonylContact C-O 3.58Å; V86-Y179 VanDerWaalsContact CA-O 3.24Å; V86-Y179 WeakPolarHBondContact CA-O 3.34Å; A87-Y179 PolarHBondContact N-O 2.83Å; A87-Y179 PolarHBondContact O-N 2.97Å; I89-Y179 HydrophobicContact CB-CE2 4.3Å; K177-Y179 HydrophobicContact CD-CE2 4.26Å; K177-Y179 WeakPolarHBondContact CE-OH 3.39Å; K177-Y179 HydrophobicContact CG-CE2 4.02Å; K177-Y179 PolarHBondContact NZ-OH 3.37Å; Y179-I181 PolarHBondContact O-N 2.61Å |
| 180 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 136.1 | 163.7 | -27.7 | 36.8 | 0 | 0 | 0 | 110 | W25 R57 G58 Y62 W69 M148 L193 | W25-P180 HydrophobicContact CZ3-CB 4.44Å; R57-P180 CarbonylContact C-O 3.34Å; R57-P180 VanDerWaalsContact CA-O 3.27Å; R57-P180 WeakPolarHBondContact CA-O 3.41Å; G58-P180 PolarHBondContact N-O 2.95Å; Y62-P180 HydrophobicContact CE2-CG 4.13Å; W69-P180 HydrophobicContact CD2-CG 4.26Å; W69-P180 HydrophobicContact CH2-CG 4.08Å; W69-P180 HydrophobicContact CZ2-CG 3.55Å; M148-P180 HydrophobicContact CE-CB 3.74Å; M148-P180 HydrophobicContact CE-CG 4.18Å; P180-L193 HydrophobicContact CB-CD2 3.88Å; P180-L193 HydrophobicContact CG-CD2 4.4Å |
| 181 | I | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 148.8 | 179.1 | -167.8 | 170.5 | 0 | 0 | 0 | 110.4 | I56 R57 G85 A87 V102 Y179 | I56-I181 WeakPolarHBondContact O-CA 3Å; I56-I181 WeakPolarHBondContact O-CG1 3.4Å; R57-I181 HydrophobicContact CG-CB 4.11Å; R57-I181 HydrophobicContact CG-CD1 3.82Å; R57-I181 HydrophobicContact CG-CG1 3.96Å; G85-I181 PolarHBondContact N-O 3.32Å; G85-I181 PolarHBondContact O-N 3.05Å; A87-I181 HydrophobicContact CB-CB 4.14Å; A87-I181 HydrophobicContact CB-CD1 3.71Å; A87-I181 HydrophobicContact CB-CG2 3.71Å; V102-I181 HydrophobicContact CG1-CG2 3.68Å; V102-I181 HydrophobicContact CG2-CD1 4.11Å; V102-I181 HydrophobicContact CG2-CG1 3.96Å; V102-I181 HydrophobicContact CG2-CG2 3.91Å; Y179-I181 PolarHBondContact O-N 2.61Å |
| 182 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.6 | 162.3 | -63.1 | 0 | 0 | 0 | 0 | 111 | W25 F44 G55 I56 W73 V83 I84 | W25-V182 HydrophobicContact CH2-CG1 3.86Å; W25-V182 HydrophobicContact CH2-CG2 4.18Å; W25-V182 HydrophobicContact CZ2-CG1 4.26Å; W25-V182 HydrophobicContact CZ2-CG2 4.4Å; F44-V182 HydrophobicContact CE1-CG2 3.36Å; F44-V182 HydrophobicContact CZ-CG2 3.55Å; G55-V182 WeakPolarHBondContact CA-O 3.43Å; I56-V182 HydrophobicContact CG2-CG2 3.84Å; I56-V182 PolarHBondContact N-O 2.92Å; I56-V182 PolarHBondContact O-N 3.33Å; W73-V182 HydrophobicContact CE3-CG1 4.45Å; W73-V182 HydrophobicContact CH2-CB 4.33Å; W73-V182 HydrophobicContact CZ3-CB 4.05Å; W73-V182 HydrophobicContact CZ3-CG1 3.89Å; V83-V182 CarbonylContact O-C 3.25Å; V83-V182 WeakPolarHBondContact O-CA 3.16Å; V83-V182 WeakPolarHBondContact O-CB 3.46Å; I84-V182 HydrophobicContact CB-CG1 3.92Å; I84-V182 HydrophobicContact CD1-CG1 3.88Å; I84-V182 HydrophobicContact CG1-CG1 3.73Å |
| 183 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.1 | 158 | 59 | 0 | 0 | 0 | 0 | 110.3 | D54 V83 V102 | D54-S183 CarbonylContact O-C 3.43Å; D54-S183 WeakPolarHBondContact O-CA 3.21Å; V83-S183 WeakPolarHBondContact CB-OG 3.39Å; V83-S183 PolarHBondContact N-O 2.78Å; V83-S183 PolarHBondContact O-N 3.08Å; V102-S183 PolarHBondContact N-OG 3.19Å |
| 184 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R46 D54 W73 | R46-A184 WeakPolarHBondContact CD-O 3.47Å; R46-A184 PolarHBondContact NE-O 3.01Å; D54-A184 PolarHBondContact N-O 3.32Å; D54-A184 PolarHBondContact O-N 3.02Å; W73-A184 HydrophobicContact CH2-CB 4.12Å; W73-A184 HydrophobicContact CZ2-CB 3.79Å |
| 185 | V | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | trans | -122.1 | -10 | 178 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | R46 T53 H81 Y98 | R46-V185 VanDerWaalsContact NH1-C 3.3Å; R46-V185 PolarHBondContact NH1-O 3.13Å; T53-V185 HydrophobicContact CG2-CG1 4.03Å; T53-V185 WeakPolarHBondContact OG1-CG1 3.42Å; H81-V185 HydrophobicContact CB-CG1 3.92Å; H81-V185 HydrophobicContact CB-CG2 4.17Å; H81-V185 WeakPolarHBondContact O-CG2 3.31Å; Y98-V185 HydrophobicContact CD1-CB 3.78Å; Y98-V185 HydrophobicContact CD1-CG1 3.93Å; Y98-V185 HydrophobicContact CE1-CB 4.35Å | ||
| 186 | W | 98.3 | Very high | 97.9 | Very high | 118 Ų | 118 | 29.9 Ų | 29.9 | 45% | 0.447 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -79.7 | 131 | -175.4 | -171.8 | -93.3 | 0 | 0 | 0 | 110.6 | R46 R76 Q77 C189 | R46-W186 WeakPolarHBondContact CD-O 3.49Å; R46-W186 PolarHBondContact NH1-O 2.81Å; R76-W186 WeakPolarHBondContact O-CZ2 3.34Å; Q77-W186 HydrophobicContact CB-CG 4.42Å; Q77-W186 VanDerWaalsContact O-CB 3.31Å; Q77-W186 WeakPolarHBondContact O-CB 3.36Å; W186-C189 HydrophobicContact CB-CB 4.01Å; W186-C189 HydrophobicContact CG-CB 4.39Å; W186-C189 PolarHBondContact O-N 2.82Å; W186-C189 PolarHBondContact O-SG 3.23Å; W186-C189 VanDerWaalsContact O-SG 3.37Å |
| 187 | G | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 135.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C189 | G187-C189 PolarHBondContact O-N 3.39Š|
| 188 | H | 98.3 | Very high | 95.9 | Very high | 105 Ų | 105 | 24.2 Ų | 24.2 | 49% | 0.486 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 21.7 | -177 | -49.7 | -66.6 | 0 | 0 | 0 | 114.9 | H45 R46 P48 | H45-H188 AromaticContact CE1-ND1 3.73Å; H45-H188 AromaticContact NE2-CG 3.97Å; H45-H188 AromaticContact NE2-ND1 3.25Å; H45-H188 PolarHBondContact NE2-ND1 2.78Å; R46-H188 VanDerWaalsContact O-CA 3.26Å; R46-H188 WeakPolarHBondContact O-CA 3.25Å; R46-H188 PolarHBondContact O-N 2.89Å; P48-H188 WeakPolarHBondContact CG-NE2 3.43Å |
| 189 | C | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -69.1 | 140 | 171.2 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | H45 R46 Q77 W186 G187 | H45-C189 WeakPolarHBondContact CA-O 3.45Å; R46-C189 VanDerWaalsContact CB-SG 3.55Å; R46-C189 PolarHBondContact N-O 3.24Å; Q77-C189 HydrophobicContact CB-CB 3.83Å; Q77-C189 VanDerWaalsContact O-CB 3.31Å; Q77-C189 WeakPolarHBondContact O-CB 3.44Å; W186-C189 HydrophobicContact CB-CB 4.01Å; W186-C189 HydrophobicContact CG-CB 4.39Å; W186-C189 PolarHBondContact O-N 2.82Å; W186-C189 PolarHBondContact O-SG 3.23Å; W186-C189 VanDerWaalsContact O-SG 3.37Å; G187-C189 PolarHBondContact O-N 3.39Å | ||
| 190 | E | 98.7 | Very high | 92 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 27% | 0.271 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.8 | 171.3 | -63.6 | -169.2 | 173.7 | 0 | 0 | 109.2 | K37 T43 F44 H45 P74 | K37-E190 IonicContact NZ-OE1 3.56Å; K37-E190 IonicContact NZ-OE2 2.83Å; K37-E190 PolarHBondContact NZ-OE2 3.25Å; T43-E190 HydrophobicContact CG2-CB 3.78Å; T43-E190 HydrophobicContact CG2-CG 4.48Å; F44-E190 VanDerWaalsContact O-CA 3.23Å; F44-E190 WeakPolarHBondContact O-CA 3.29Å; H45-E190 HydrophobicContact CB-CG 4.26Å; H45-E190 IonicContact CE1-OE1 3.8Å; H45-E190 IonicContact CG-OE1 2.78Å; H45-E190 WeakPolarHBondContact ND1-CG 3.41Å; H45-E190 IonicContact ND1-OE1 2.94Å; H45-E190 PolarHBondContact ND1-OE1 3.46Å; P74-E190 VanDerWaalsContact CD-O 3.23Å; P74-E190 WeakPolarHBondContact CD-O 3.48Å |
| 191 | V | 98.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.9 | -179.9 | -174 | 0 | 0 | 0 | 0 | 109.6 | W25 T43 F44 V71 C72 W73 | W25-V191 HydrophobicContact CZ2-CG1 4.48Å; W25-V191 PolarHBondContact NE1-O 3.02Å; T43-V191 WeakPolarHBondContact CA-O 3.33Å; F44-V191 HydrophobicContact CD1-CB 4.13Å; F44-V191 HydrophobicContact CE1-CB 3.45Å; F44-V191 VanDerWaalsContact CE1-CB 3.45Å; F44-V191 HydrophobicContact CE1-CG1 4.19Å; F44-V191 HydrophobicContact CE1-CG2 3.93Å; F44-V191 HydrophobicContact CE2-CG2 4.29Å; F44-V191 HydrophobicContact CZ-CB 3.66Å; F44-V191 HydrophobicContact CZ-CG2 3.56Å; F44-V191 PolarHBondContact N-O 3.1Å; F44-V191 PolarHBondContact O-N 2.87Å; V71-V191 HydrophobicContact CG1-CG1 4.25Å; C72-V191 WeakPolarHBondContact O-CA 3.44Å; W73-V191 HydrophobicContact CB-CG1 4.08Å; W73-V191 HydrophobicContact CB-CG2 4.41Å; W73-V191 HydrophobicContact CD2-CG1 4.17Å; W73-V191 HydrophobicContact CD2-CG2 3.66Å; W73-V191 HydrophobicContact CE3-CG1 4.2Å; W73-V191 HydrophobicContact CE3-CG2 4.27Å; W73-V191 HydrophobicContact CG-CG1 4.17Å; W73-V191 HydrophobicContact CG-CG2 3.72Å; W73-V191 HydrophobicContact CZ2-CG2 4.23Å |
| 192 | T | 98.7 | Very high | 87.6 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.9 | -178.1 | -45.5 | 0 | 0 | 0 | 0 | 110.6 | L42 T43 V71 C72 K194 | L42-T192 HydrophobicContact CB-CG2 3.86Å; L42-T192 CarbonylContact O-C 3.48Å; L42-T192 WeakPolarHBondContact O-CA 3.44Å; T43-T192 WeakPolarHBondContact OG1-CB 3.36Å; T43-T192 VanDerWaalsContact OG1-CG2 3.3Å; T43-T192 WeakPolarHBondContact OG1-CG2 3.21Å; T43-T192 PolarHBondContact OG1-OG1 2.88Å; V71-T192 WeakPolarHBondContact CA-O 3.19Å; C72-T192 PolarHBondContact N-O 3.29Å; C72-T192 PolarHBondContact O-N 3.13Å; T192-K194 HydrophobicContact CG2-CD 4.44Å; T192-K194 HydrophobicContact CG2-CG 3.88Å |
| 193 | L | 98.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 109 | 173.8 | -174.9 | 74.5 | 0 | 0 | 0 | 110.1 | W25 L42 W69 V71 P180 | W25-L193 HydrophobicContact CD2-CB 4.12Å; W25-L193 HydrophobicContact CD2-CD2 4.12Å; W25-L193 VanDerWaalsContact CE2-CB 3.42Å; W25-L193 HydrophobicContact CE3-CD2 4.02Å; W25-L193 HydrophobicContact CH2-CB 4.22Å; W25-L193 HydrophobicContact CH2-CD1 4.3Å; W25-L193 HydrophobicContact CH2-CD2 3.84Å; W25-L193 HydrophobicContact CH2-CG 4.35Å; W25-L193 HydrophobicContact CZ2-CB 3.51Å; W25-L193 HydrophobicContact CZ2-CD1 4.24Å; W25-L193 HydrophobicContact CZ2-CD2 3.99Å; W25-L193 HydrophobicContact CZ2-CG 4.12Å; W25-L193 HydrophobicContact CZ3-CD2 3.87Å; L42-L193 PolarHBondContact O-N 2.99Å; W69-L193 HydrophobicContact CB-CD1 3.52Å; W69-L193 HydrophobicContact CB-CG 4.29Å; W69-L193 HydrophobicContact CG-CD1 3.7Å; W69-L193 HydrophobicContact CG-CG 4.17Å; V71-L193 HydrophobicContact CG2-CD1 3.91Å; P180-L193 HydrophobicContact CB-CD2 3.88Å; P180-L193 HydrophobicContact CG-CD2 4.4Å |
| 194 | K | 96.5 | Very high | 84.7 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.6 | 179.8 | -54 | -177.7 | -175.6 | 165.6 | 0 | 109.7 | L14 L42 W69 D70 T192 V196 | L14-K194 HydrophobicContact CD1-CD 4.42Å; L14-K194 HydrophobicContact CD2-CB 4.01Å; L14-K194 HydrophobicContact CD2-CD 4.44Å; L42-K194 HydrophobicContact CD1-CG 4.05Å; W69-K194 CarbonylContact C-O 3.51Å; W69-K194 VanDerWaalsContact CA-O 3.26Å; W69-K194 WeakPolarHBondContact CA-O 3.21Å; D70-K194 HydrophobicContact CB-CB 4.21Å; D70-K194 PolarHBondContact N-O 3.1Å; D70-K194 PolarHBondContact O-N 3.12Å; T192-K194 HydrophobicContact CG2-CD 4.44Å; T192-K194 HydrophobicContact CG2-CG 3.88Å; K194-V196 PolarHBondContact O-N 3.47Å |
| 195 | Y | 94.9 | Very high | 83.7 | Confident | 16 Ų | 16 | 58 Ų | 58 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.2 | 177.2 | -170.6 | -126.1 | 0 | 0 | 0 | 110.9 | A15 Q20 N23 H67 V68 W69 G197 C198 | A15-Y195 HydrophobicContact CB-CD1 4.38Å; A15-Y195 VanDerWaalsContact CB-O 3.32Å; A15-Y195 WeakPolarHBondContact CB-O 2.94Å; A15-Y195 PolarHBondContact N-O 2.82Å; Q20-Y195 WeakPolarHBondContact CG-O 3.46Å; N23-Y195 HydrophobicContact CB-CD1 3.94Å; N23-Y195 HydrophobicContact CB-CD2 4.21Å; N23-Y195 HydrophobicContact CB-CG 3.67Å; N23-Y195 WeakPolarHBondContact ND2-CD1 3.42Å; H67-Y195 HydrophobicContact CB-CE2 4.18Å; H67-Y195 AromaticContact ND1-CZ 3.9Å; H67-Y195 PolarHBondContact ND1-OH 3.05Å; V68-Y195 VanDerWaalsContact O-CD2 3.23Å; V68-Y195 WeakPolarHBondContact O-CD2 3.15Å; V68-Y195 WeakPolarHBondContact O-CE2 3.46Å; W69-Y195 AromaticContact CD1-CD2 3.63Å; W69-Y195 HydrophobicContact CD2-CD2 4.21Å; W69-Y195 AromaticContact CE2-CD2 3.67Å; W69-Y195 AromaticContact CE2-CE2 3.94Å; W69-Y195 HydrophobicContact CG-CD2 4.15Å; W69-Y195 HydrophobicContact CZ2-CD2 4.21Å; W69-Y195 HydrophobicContact CZ2-CE2 4.03Å; W69-Y195 AromaticContact NE1-CD2 3.33Å; W69-Y195 VanDerWaalsContact NE1-CD2 3.33Å; Y195-G197 WeakPolarHBondContact CE2-O 3.34Å; Y195-G197 VanDerWaalsContact CZ-O 3.27Å; Y195-G197 PolarHBondContact OH-O 2.94Å; Y195-C198 VanDerWaalsContact OH-CB 3.29Å; Y195-C198 WeakPolarHBondContact OH-CB 3.29Å; Y195-C198 PolarHBondContact OH-N 3.03Å |
| 196 | V | 91.1 | Very high | 82.7 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -40.9 | -178.5 | 174.3 | 0 | 0 | 0 | 0 | 110 | F12 L14 A15 V68 D70 F147 K194 | F12-V196 HydrophobicContact CB-CG1 3.15Å; F12-V196 HydrophobicContact CD2-CG1 4.39Å; F12-V196 HydrophobicContact CG-CG1 3.97Å; L14-V196 HydrophobicContact CD2-CG2 4.08Å; A15-V196 PolarHBondContact N-O 3.47Å; A15-V196 VanDerWaalsContact N-O 3.15Å; V68-V196 HydrophobicContact CB-CB 4.01Å; V68-V196 HydrophobicContact CB-CG1 4.38Å; V68-V196 HydrophobicContact CG1-CB 3.92Å; V68-V196 HydrophobicContact CG1-CG1 4.23Å; V68-V196 HydrophobicContact CG1-CG2 4.08Å; V68-V196 WeakPolarHBondContact O-CB 3.4Å; V68-V196 PolarHBondContact O-N 2.81Å; D70-V196 HydrophobicContact CB-CG2 3.82Å; F147-V196 HydrophobicContact CD1-CG2 4.27Å; F147-V196 HydrophobicContact CE1-CG2 4.09Å; K194-V196 PolarHBondContact O-N 3.47Å |
| 197 | G | 82 | Confident | 81.5 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.7 | -170.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V68 Y195 | V68-G197 PolarHBondContact N-O 2.71Å; Y195-G197 WeakPolarHBondContact CE2-O 3.34Å; Y195-G197 VanDerWaalsContact CZ-O 3.27Å; Y195-G197 PolarHBondContact OH-O 2.94Å |
| 198 | C | 72.6 | Confident | 80.3 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.8 | 178.3 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | F66 H67 Y195 Q200 | F66-C198 WeakPolarHBondContact O-CA 3.48Å; F66-C198 PolarHBondContact O-SG 2.93Å; H67-C198 PolarHBondContact CE1-SG 2.8Å; Y195-C198 VanDerWaalsContact OH-CB 3.29Å; Y195-C198 WeakPolarHBondContact OH-CB 3.29Å; Y195-C198 PolarHBondContact OH-N 3.03Å; C198-Q200 VanDerWaalsContact C-N 3.31Å; C198-Q200 HydrophobicContact CB-CG 3.87Å; C198-Q200 PolarHBondContact O-N 3.48Å; C198-Q200 WeakPolarHBondContact SG-CG 3.26Å |
| 199 | L | 64.6 | Low | 79.5 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | trans | -85.2 | 75.5 | 163.1 | -93.5 | 160.3 | 0 | 0 | 0 | 108.3 | F8 F12 F66 R201 C203 | F8-L199 HydrophobicContact CD1-CD1 4.33Å; F12-L199 HydrophobicContact CE1-CD1 4.42Å; F12-L199 HydrophobicContact CE1-CG 4.27Å; F12-L199 HydrophobicContact CE2-CD1 4.4Å; F12-L199 HydrophobicContact CZ-CD1 3.58Å; F12-L199 HydrophobicContact CZ-CG 3.88Å; F66-L199 HydrophobicContact CB-CB 4.02Å; F66-L199 HydrophobicContact CD1-CB 4.02Å; F66-L199 HydrophobicContact CD1-CD1 3.85Å; F66-L199 HydrophobicContact CD1-CG 4.42Å; F66-L199 HydrophobicContact CE1-CD1 4.09Å; F66-L199 HydrophobicContact CG-CB 4.31Å; F66-L199 HydrophobicContact CG-CD1 4.45Å; F66-L199 PolarHBondContact O-N 3.19Å; F66-L199 VanDerWaalsContact O-N 3.1Å; L199-R201 PolarHBondContact O-N 3.01Å; L199-C203 WeakPolarHBondContact CD2-SG 3.45Å | ||
| 200 | Q | 50.6 | Low | 78.6 | Confident | 141 Ų | 141 | 58.7 Ų | 58.7 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | trans | -79.7 | -4.1 | 175.5 | -69.7 | -157.5 | -15.4 | 0 | 0 | 113.6 | C198 | C198-Q200 VanDerWaalsContact C-N 3.31Å; C198-Q200 HydrophobicContact CB-CG 3.87Å; C198-Q200 PolarHBondContact O-N 3.48Å; C198-Q200 WeakPolarHBondContact SG-CG 3.26Å | ||
| 201 | R | 47.7 | Very low | 77.1 | Confident | 206 Ų | 206 | 56.3 Ų | 56.3 | 78% | 0.777 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -135.3 | 147.5 | -176.4 | -64.8 | -174.9 | 179.3 | 172.6 | 0.3 | 110 | L199 C203 | L199-R201 PolarHBondContact O-N 3.01Å; R201-C203 PolarHBondContact O-N 3.46Å |
| 202 | P | 57 | Low | 76 | Confident | 128 Ų | 128 | 60.1 Ų | 60.1 | 83% | 0.831 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 128.2 | 169.7 | 19.4 | -29.5 | 0 | 0 | 0 | 108.7 | S204 | P202-S204 PolarHBondContact O-N 2.94Š|
| 203 | C | 62.7 | Low | 75.2 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 136.1 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | F8 L199 R201 D207 L208 | F8-C203 HydrophobicContact CE1-CB 4.03Å; F8-C203 WeakPolarHBondContact CE1-SG 3.45Å; F8-C203 HydrophobicContact CZ-CB 4.36Å; L199-C203 WeakPolarHBondContact CD2-SG 3.45Å; R201-C203 PolarHBondContact O-N 3.46Å; C203-D207 HydrophobicContact CB-CB 4.28Å; C203-L208 HydrophobicContact CB-CD1 4.43Å; C203-L208 HydrophobicContact CB-CD2 4.31Å; C203-L208 HydrophobicContact CB-CG 3.98Å |
| 204 | S | 73.9 | Confident | 74.1 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 152.2 | 174.6 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | P202 A206 D207 L208 | P202-S204 PolarHBondContact O-N 2.94Å; S204-A206 PolarHBondContact O-N 3.22Å; S204-A206 VanDerWaalsContact O-N 3.15Å; S204-A206 PolarHBondContact OG-N 2.69Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact N-OD2 3.46Å; S204-D207 WeakPolarHBondContact O-CB 3.39Å; S204-D207 PolarHBondContact O-N 3.42Å; S204-D207 PolarHBondContact OG-N 3.05Å; S204-D207 VanDerWaalsContact OG-N 3.11Å; S204-D207 PolarHBondContact OG-OD2 3.49Å; S204-L208 PolarHBondContact O-N 2.72Å; S204-L208 VanDerWaalsContact O-N 3.08Å |
| 205 | L | 77.9 | Confident | 72.8 | Confident | 132 Ų | 132 | 66.7 Ų | 66.7 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -54.2 | -35.5 | 173.4 | -179.5 | 61.9 | 0 | 0 | 0 | 110.8 | D207 L208 C209 | L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 2.85Å; L205-L208 PolarHBondContact O-N 2.65Å; L205-C209 WeakPolarHBondContact O-CB 3.23Å; L205-C209 PolarHBondContact O-N 3.27Å; L205-C209 PolarHBondContact O-SG 3.22Å |
| 206 | A | 78.4 | Confident | 72.1 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S204 R210 Y237 | S204-A206 PolarHBondContact O-N 3.22Å; S204-A206 VanDerWaalsContact O-N 3.15Å; S204-A206 PolarHBondContact OG-N 2.69Å; A206-R210 VanDerWaalsContact O-CB 3.28Å; A206-R210 WeakPolarHBondContact O-CB 3.44Å; A206-R210 PolarHBondContact O-N 2.58Å; A206-Y237 HydrophobicContact CB-CE1 4.5Å; A206-Y237 WeakPolarHBondContact CB-OH 3.39Å; A206-Y237 PolarHBondContact O-OH 2.91Å |
| 207 | D | 72.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 176.4 | -63.6 | -46.5 | 0 | 0 | 0 | 111.1 | C203 S204 L205 R210 C211 Y237 | C203-D207 HydrophobicContact CB-CB 4.28Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact N-OD2 3.46Å; S204-D207 WeakPolarHBondContact O-CB 3.39Å; S204-D207 PolarHBondContact O-N 3.42Å; S204-D207 PolarHBondContact OG-N 3.05Å; S204-D207 VanDerWaalsContact OG-N 3.11Å; S204-D207 PolarHBondContact OG-OD2 3.49Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 2.85Å; D207-R210 PolarHBondContact O-N 2.81Å; D207-R210 IonicContact OD1-CZ 3.96Å; D207-R210 IonicContact OD1-NH2 3.83Å; D207-R210 PolarHBondContact OD1-NH2 3.11Å; D207-C211 VanDerWaalsContact O-CB 3.32Å; D207-C211 WeakPolarHBondContact O-CB 3.34Å; D207-C211 PolarHBondContact O-N 2.94Å; D207-Y237 PolarHBondContact N-OH 2.98Å; D207-Y237 PolarHBondContact OD1-OH 3.07Å |
| 208 | L | 73.2 | Confident | 70.9 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 175.4 | -71.2 | 164.4 | 0 | 0 | 0 | 111.2 | F8 C203 S204 L205 C211 V212 | F8-L208 HydrophobicContact CE2-CD2 4.46Å; F8-L208 HydrophobicContact CZ-CD2 3.8Å; C203-L208 HydrophobicContact CB-CD1 4.43Å; C203-L208 HydrophobicContact CB-CD2 4.31Å; C203-L208 HydrophobicContact CB-CG 3.98Å; S204-L208 PolarHBondContact O-N 2.72Å; S204-L208 VanDerWaalsContact O-N 3.08Å; L205-L208 PolarHBondContact O-N 2.65Å; L208-C211 WeakPolarHBondContact O-CB 3.28Å; L208-C211 PolarHBondContact O-N 3.04Å; L208-V212 WeakPolarHBondContact O-CG2 3.38Å; L208-V212 PolarHBondContact O-N 2.83Å |
| 209 | C | 80.7 | Confident | 70.7 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 177.1 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | L205 C211 V212 I213 | L205-C209 WeakPolarHBondContact O-CB 3.23Å; L205-C209 PolarHBondContact O-N 3.27Å; L205-C209 PolarHBondContact O-SG 3.22Å; C209-C211 VanDerWaalsContact C-N 3.29Å; C209-C211 PolarHBondContact O-N 3.29Å; C209-V212 PolarHBondContact O-N 3.12Å; C209-I213 WeakPolarHBondContact O-CB 3.33Å; C209-I213 WeakPolarHBondContact O-CD1 3.41Å; C209-I213 VanDerWaalsContact O-CG1 3.23Å; C209-I213 WeakPolarHBondContact O-CG1 3.35Å; C209-I213 PolarHBondContact O-N 3.46Å |
| 210 | R | 79.4 | Confident | 71.1 | Confident | 34 Ų | 34 | 91.3 Ų | 91.3 | 13% | 0.128 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.8 | 171.5 | 163.9 | 48.7 | 169.5 | -2 | 111.8 | A206 D207 I213 R214 Y237 L238 | A206-R210 VanDerWaalsContact O-CB 3.28Å; A206-R210 WeakPolarHBondContact O-CB 3.44Å; A206-R210 PolarHBondContact O-N 2.58Å; D207-R210 PolarHBondContact O-N 2.81Å; D207-R210 IonicContact OD1-CZ 3.96Å; D207-R210 IonicContact OD1-NH2 3.83Å; D207-R210 PolarHBondContact OD1-NH2 3.11Å; R210-I213 PolarHBondContact O-N 3.42Å; R210-R214 WeakPolarHBondContact O-CB 3.4Å; R210-R214 PolarHBondContact O-N 2.77Å; R210-Y237 HydrophobicContact CB-CD1 4.47Å; R210-Y237 HydrophobicContact CB-CE1 3.72Å; R210-Y237 WeakPolarHBondContact CD-O 3.23Å; R210-Y237 HydrophobicContact CG-CE1 4.19Å; R210-Y237 VanDerWaalsContact CZ-OH 3.22Å; R210-Y237 VanDerWaalsContact NE-CE1 3.34Å; R210-Y237 PolarHBondContact NE-OH 3.34Å; R210-Y237 PolarHBondContact NH1-O 3.04Å; R210-Y237 VanDerWaalsContact NH1-O 3.16Å; R210-Y237 PolarHBondContact NH2-OH 3.17Å; R210-L238 HydrophobicContact CB-CD2 4.23Å; R210-L238 HydrophobicContact CG-CD2 4.13Å |
| 211 | C | 67.7 | Low | 72.5 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 5% | 0.054 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.9 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | F8 D207 L208 C209 I213 R214 R215 | F8-C211 HydrophobicContact CE2-CB 4.22Å; F8-C211 HydrophobicContact CZ-CB 4.41Å; D207-C211 VanDerWaalsContact O-CB 3.32Å; D207-C211 WeakPolarHBondContact O-CB 3.34Å; D207-C211 PolarHBondContact O-N 2.94Å; L208-C211 WeakPolarHBondContact O-CB 3.28Å; L208-C211 PolarHBondContact O-N 3.04Å; C209-C211 VanDerWaalsContact C-N 3.29Å; C209-C211 PolarHBondContact O-N 3.29Å; C211-I213 VanDerWaalsContact C-N 3.35Å; C211-I213 PolarHBondContact O-N 3.24Å; C211-R214 PolarHBondContact O-N 2.78Å; C211-R215 PolarHBondContact O-N 3.43Å |
| 212 | V | 76.2 | Confident | 74 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L208 C209 R215 R216 | L208-V212 WeakPolarHBondContact O-CG2 3.38Å; L208-V212 PolarHBondContact O-N 2.83Å; C209-V212 PolarHBondContact O-N 3.12Å; V212-R215 PolarHBondContact O-N 2.82Å; V212-R216 PolarHBondContact O-N 3.06Å |
| 213 | I | 82.3 | Confident | 75 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 177.8 | -69.1 | 165.1 | 0 | 0 | 0 | 110.4 | C209 R210 C211 R215 R216 L217 L238 | C209-I213 WeakPolarHBondContact O-CB 3.33Å; C209-I213 WeakPolarHBondContact O-CD1 3.41Å; C209-I213 VanDerWaalsContact O-CG1 3.23Å; C209-I213 WeakPolarHBondContact O-CG1 3.35Å; C209-I213 PolarHBondContact O-N 3.46Å; R210-I213 PolarHBondContact O-N 3.42Å; C211-I213 VanDerWaalsContact C-N 3.35Å; C211-I213 PolarHBondContact O-N 3.24Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 3.21Å; I213-R216 WeakPolarHBondContact O-CA 3.38Å; I213-R216 WeakPolarHBondContact O-CB 3.49Å; I213-R216 PolarHBondContact O-N 3.18Å; I213-L217 HydrophobicContact CG2-CD1 3.48Å; I213-L217 VanDerWaalsContact CG2-CD1 3.48Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 2.85Å; I213-L238 HydrophobicContact CB-CD2 4.07Å; I213-L238 HydrophobicContact CD1-CD2 4.04Å; I213-L238 HydrophobicContact CG2-CD1 4.17Å; I213-L238 HydrophobicContact CG2-CD2 3.71Å |
| 214 | R | 74.3 | Confident | 75.8 | Confident | 37 Ų | 37 | 83.3 Ų | 83.3 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 176.4 | -87.1 | -77.9 | -170.4 | 150.8 | 3.3 | 113.1 | F11 R210 C211 R216 L217 L238 L239 | F11-R214 HydrophobicContact CE2-CB 3.95Å; F11-R214 HydrophobicContact CE2-CG 4.39Å; F11-R214 HydrophobicContact CZ-CB 3.99Å; F11-R214 HydrophobicContact CZ-CG 4.17Å; R210-R214 WeakPolarHBondContact O-CB 3.4Å; R210-R214 PolarHBondContact O-N 2.77Å; C211-R214 PolarHBondContact O-N 2.78Å; R214-R216 PolarHBondContact O-N 2.97Å; R214-L217 CarbonylContact O-C 3.54Å; R214-L217 WeakPolarHBondContact O-CA 3.4Å; R214-L217 PolarHBondContact O-N 2.75Å; R214-L238 PolarHBondContact NE-O 3.46Å; R214-L238 PolarHBondContact NH2-O 3.24Å; R214-L239 PolarHBondContact NH2-O 3.25Å |
| 215 | R | 69.9 | Low | 76.1 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.8 | -26.6 | 174 | -89 | 179.7 | 156.8 | 164.4 | 2.2 | 113.5 | R3 P7 C211 V212 I213 | R3-R215 PolarHBondContact O-NH2 3.15Å; P7-R215 HydrophobicContact CB-CG 4.38Å; P7-R215 VanDerWaalsContact CD-NH2 3.31Å; P7-R215 HydrophobicContact CG-CG 4.19Å; C211-R215 PolarHBondContact O-N 3.43Å; V212-R215 PolarHBondContact O-N 2.82Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 3.21Å |
| 216 | R | 78.9 | Confident | 76.2 | Confident | 204 Ų | 204 | 80.3 Ų | 80.3 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -88.8 | -19.7 | 174.9 | -62.8 | -61.6 | -170.8 | -155.8 | 2.9 | 112.4 | V212 I213 R214 T218 N221 | V212-R216 PolarHBondContact O-N 3.06Å; I213-R216 WeakPolarHBondContact O-CA 3.38Å; I213-R216 WeakPolarHBondContact O-CB 3.49Å; I213-R216 PolarHBondContact O-N 3.18Å; R214-R216 PolarHBondContact O-N 2.97Å; R216-T218 PolarHBondContact O-N 3.2Å; R216-N221 PolarHBondContact O-ND2 3.34Å |
| 217 | L | 77.3 | Confident | 76.4 | Confident | 29 Ų | 29 | 84.5 Ų | 84.5 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | trans | -90.6 | 96.2 | 176.3 | -66.8 | 159.6 | 0 | 0 | 0 | 110.3 | I213 R214 N221 I222 L225 | I213-L217 HydrophobicContact CG2-CD1 3.48Å; I213-L217 VanDerWaalsContact CG2-CD1 3.48Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 2.85Å; R214-L217 CarbonylContact O-C 3.54Å; R214-L217 WeakPolarHBondContact O-CA 3.4Å; R214-L217 PolarHBondContact O-N 2.75Å; L217-N221 VanDerWaalsContact C-OD1 3.24Å; L217-N221 WeakPolarHBondContact CA-OD1 3.44Å; L217-I222 HydrophobicContact CB-CG1 4.13Å; L217-L225 HydrophobicContact CD1-CD1 3.16Å; L217-L225 HydrophobicContact CD2-CD1 3.71Å; L217-L225 HydrophobicContact CG-CD1 4.05Å | ||
| 218 | T | 70.9 | Confident | 76.8 | Confident | 76 Ų | 76 | 86 Ų | 86 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | trans | -84.9 | 163.7 | 169.6 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | R216 K220 N221 I222 | R216-T218 PolarHBondContact O-N 3.2Å; T218-K220 PolarHBondContact O-N 2.87Å; T218-N221 PolarHBondContact N-OD1 2.77Å; T218-N221 PolarHBondContact O-N 3.24Å; T218-N221 PolarHBondContact O-OD1 3.14Å; T218-N221 PolarHBondContact OG1-OD1 2.83Å; T218-I222 PolarHBondContact O-N 2.97Å | ||
| 219 | D | 69.5 | Low | 77.5 | Confident | 150 Ų | 150 | 91 Ų | 91 | 80% | 0.802 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.7 | 175.9 | -64.1 | -34.3 | 0 | 0 | 0 | 112.7 | N221 | D219-N221 VanDerWaalsContact C-N 3.28Å; D219-N221 PolarHBondContact O-N 3.2Å |
| 220 | K | 73 | Confident | 77.8 | Confident | 185 Ų | 185 | 90.9 Ų | 90.9 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.4 | 176.9 | -63.4 | -173.6 | -179.2 | -177.9 | 0 | 114.5 | T218 H223 | T218-K220 PolarHBondContact O-N 2.87Å; K220-H223 PolarHBondContact O-CE1 2.92Å; K220-H223 PolarHBondContact O-ND1 3.04Å |
| 221 | N | 79.9 | Confident | 78.3 | Confident | 42 Ų | 42 | 92.7 Ų | 92.7 | 23% | 0.225 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -1.3 | -176.2 | 67.8 | 12.6 | 0 | 0 | 0 | 113.5 | R216 L217 T218 D219 H223 R224 | R216-N221 PolarHBondContact O-ND2 3.34Å; L217-N221 VanDerWaalsContact C-OD1 3.24Å; L217-N221 WeakPolarHBondContact CA-OD1 3.44Å; T218-N221 PolarHBondContact N-OD1 2.77Å; T218-N221 PolarHBondContact O-N 3.24Å; T218-N221 PolarHBondContact O-OD1 3.14Å; T218-N221 PolarHBondContact OG1-OD1 2.83Å; D219-N221 VanDerWaalsContact C-N 3.28Å; D219-N221 PolarHBondContact O-N 3.2Å; N221-H223 PolarHBondContact O-N 2.81Å; N221-R224 VanDerWaalsContact O-CB 3.23Å; N221-R224 WeakPolarHBondContact O-CB 3.31Å; N221-R224 PolarHBondContact O-N 3.05Å |
| 222 | I | 78 | Confident | 79.1 | Confident | 42 Ų | 42 | 97.1 Ų | 97.1 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -38.6 | 173.5 | -88.7 | 172.9 | 0 | 0 | 0 | 111.9 | L217 T218 R224 L225 L239 | L217-I222 HydrophobicContact CB-CG1 4.13Å; T218-I222 PolarHBondContact O-N 2.97Å; I222-R224 PolarHBondContact O-N 3.24Å; I222-L225 WeakPolarHBondContact O-CB 3.41Å; I222-L225 PolarHBondContact O-N 2.82Å; I222-L239 HydrophobicContact CG2-CD2 4.31Å |
| 223 | H | 78.6 | Confident | 79.5 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.9 | 177 | 61.8 | -96.6 | 0 | 0 | 0 | 113.2 | K220 N221 L225 H226 | K220-H223 PolarHBondContact O-CE1 2.92Å; K220-H223 PolarHBondContact O-ND1 3.04Å; N221-H223 PolarHBondContact O-N 2.81Å; H223-L225 PolarHBondContact O-N 2.83Å; H223-H226 PolarHBondContact O-N 2.96Å |
| 224 | R | 80.4 | Confident | 79.7 | Confident | 153 Ų | 153 | 101 Ų | 101 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.9 | -17.7 | 175.4 | -61.2 | -173 | 165.5 | -171.7 | -6.6 | 112.4 | N221 I222 H226 Q227 L228 | N221-R224 VanDerWaalsContact O-CB 3.23Å; N221-R224 WeakPolarHBondContact O-CB 3.31Å; N221-R224 PolarHBondContact O-N 3.05Å; I222-R224 PolarHBondContact O-N 3.24Å; R224-H226 PolarHBondContact O-N 3.23Å; R224-Q227 WeakPolarHBondContact O-CA 3.38Å; R224-Q227 VanDerWaalsContact O-CB 3.3Å; R224-Q227 WeakPolarHBondContact O-CB 3.47Å; R224-Q227 PolarHBondContact O-N 2.79Å; R224-L228 PolarHBondContact O-N 2.73Å |
| 225 | L | 80.3 | Confident | 80.2 | Confident | 2 Ų | 2 | 101.2 Ų | 101.2 | 1% | 0.01 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.8 | -30.5 | 176.9 | -152.9 | 133.8 | 0 | 0 | 0 | 111.9 | L217 I222 H223 Q227 L228 K235 L238 L239 | L217-L225 HydrophobicContact CD1-CD1 3.16Å; L217-L225 HydrophobicContact CD2-CD1 3.71Å; L217-L225 HydrophobicContact CG-CD1 4.05Å; I222-L225 WeakPolarHBondContact O-CB 3.41Å; I222-L225 PolarHBondContact O-N 2.82Å; H223-L225 PolarHBondContact O-N 2.83Å; L225-Q227 VanDerWaalsContact C-N 3.3Å; L225-L228 PolarHBondContact O-N 2.85Å; L225-K235 HydrophobicContact CD2-CB 3.99Å; L225-K235 HydrophobicContact CD2-CG 3.97Å; L225-K235 VanDerWaalsContact O-CE 3.32Å; L225-K235 WeakPolarHBondContact O-CE 3.47Å; L225-L238 HydrophobicContact CD1-CB 4.3Å; L225-L238 HydrophobicContact CD1-CD1 4.15Å; L225-L238 HydrophobicContact CD2-CB 4.31Å; L225-L238 HydrophobicContact CD2-CD1 4.33Å; L225-L239 HydrophobicContact CD2-CD1 4.34Å; L225-L239 HydrophobicContact CD2-CG 4.18Å |
| 226 | H | 78.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.9 | -29.1 | 171.7 | -67.9 | -72.8 | 0 | 0 | 0 | 112.6 | H223 R224 K235 | H223-H226 PolarHBondContact O-N 2.96Å; R224-H226 PolarHBondContact O-N 3.23Å; H226-K235 PolarHBondContact O-NZ 3.2Å |
| 227 | Q | 82.8 | Confident | 80.8 | Confident | 137 Ų | 137 | 94.2 Ų | 94.2 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -77.8 | -19.3 | 178.2 | -57.3 | 174 | -12.8 | 0 | 0 | 112.9 | R224 L225 | R224-Q227 WeakPolarHBondContact O-CA 3.38Å; R224-Q227 VanDerWaalsContact O-CB 3.3Å; R224-Q227 WeakPolarHBondContact O-CB 3.47Å; R224-Q227 PolarHBondContact O-N 2.79Å; L225-Q227 VanDerWaalsContact C-N 3.3Å |
| 228 | L | 82 | Confident | 81 | Confident | 88 Ų | 88 | 93.1 Ų | 93.1 | 46% | 0.461 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -71.4 | 136.9 | 174.4 | -63.5 | 172.9 | 0 | 0 | 0 | 109.8 | R224 L225 L230 K235 | R224-L228 PolarHBondContact O-N 2.73Å; L225-L228 PolarHBondContact O-N 2.85Å; L228-L230 HydrophobicContact CB-CD1 3.91Å; L228-L230 HydrophobicContact CB-CG 3.9Å; L228-L230 HydrophobicContact CD1-CD1 3.93Å; L228-L230 PolarHBondContact O-N 2.81Å; L228-K235 WeakPolarHBondContact O-CE 3.5Å; L228-K235 PolarHBondContact O-NZ 3.3Å |
| 229 | N | 86.8 | Confident | 81.3 | Confident | 173 Ų | 173 | 91 Ų | 91 | 93% | 0.925 | 45% | 0.448 | S | S | * | . | trans | -74.4 | 54 | 174.4 | -72.8 | -24.2 | 0 | 0 | 0 | 111.5 | ||||
| 230 | L | 86.1 | Confident | 81.2 | Confident | 60 Ų | 60 | 88.3 Ų | 88.3 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | trans | -96.4 | 143.7 | 177 | -65.3 | 171.8 | 0 | 0 | 0 | 110.6 | L228 I234 K235 L238 | L228-L230 HydrophobicContact CB-CD1 3.91Å; L228-L230 HydrophobicContact CB-CG 3.9Å; L228-L230 HydrophobicContact CD1-CD1 3.93Å; L228-L230 PolarHBondContact O-N 2.81Å; L230-I234 HydrophobicContact CD1-CG2 4.47Å; L230-K235 HydrophobicContact CB-CG 3.96Å; L230-K235 WeakPolarHBondContact O-CE 3.31Å; L230-L238 HydrophobicContact CD1-CD1 4.1Å | ||
| 231 | P | 90.7 | Very high | 80.7 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -53 | 144.6 | 170.8 | -25.5 | 33 | 0 | 0 | 0 | 112.3 | M233 I234 K235 | P231-M233 VanDerWaalsContact C-N 3.29Å; P231-M233 PolarHBondContact O-N 3.01Å; P231-I234 HydrophobicContact CB-CG1 4.37Å; P231-I234 HydrophobicContact CG-CD1 4.13Å; P231-I234 HydrophobicContact CG-CG1 4.47Å; P231-I234 PolarHBondContact O-N 3.37Å; P231-K235 PolarHBondContact O-N 3.48Å; P231-K235 VanDerWaalsContact O-N 3.1Å | ||
| 232 | P | 85.8 | Confident | 80.7 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.1 | -42.1 | -178.7 | -26.6 | 33.8 | 0 | 0 | 0 | 113.6 | I234 K235 Q236 | P232-I234 VanDerWaalsContact C-N 3.3Å; P232-I234 PolarHBondContact O-N 3.22Å; P232-K235 WeakPolarHBondContact O-CB 3.45Å; P232-K235 PolarHBondContact O-N 3.02Å; P232-K235 VanDerWaalsContact O-N 3.13Å; P232-Q236 PolarHBondContact O-N 2.9Å |
| 233 | M | 84.2 | Confident | 80.9 | Confident | 158 Ų | 158 | 92.6 Ų | 92.6 | 78% | 0.778 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.6 | -39.5 | 176.3 | -94.1 | -170.4 | 171.3 | 0 | 0 | 112.8 | P231 Y237 | P231-M233 VanDerWaalsContact C-N 3.29Å; P231-M233 PolarHBondContact O-N 3.01Å; M233-Y237 WeakPolarHBondContact O-CB 3.4Å; M233-Y237 PolarHBondContact O-N 2.67Å |
| 234 | I | 85.7 | Confident | 81 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.395 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 178.4 | -63.5 | -174.3 | 0 | 0 | 0 | 109.9 | L230 P231 P232 Y237 L238 | L230-I234 HydrophobicContact CD1-CG2 4.47Å; P231-I234 HydrophobicContact CB-CG1 4.37Å; P231-I234 HydrophobicContact CG-CD1 4.13Å; P231-I234 HydrophobicContact CG-CG1 4.47Å; P231-I234 PolarHBondContact O-N 3.37Å; P232-I234 VanDerWaalsContact C-N 3.3Å; P232-I234 PolarHBondContact O-N 3.22Å; I234-Y237 PolarHBondContact O-N 3Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.23Å; I234-L238 VanDerWaalsContact O-CB 3.31Å; I234-L238 WeakPolarHBondContact O-CB 3.49Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.12Å |
| 235 | K | 84.6 | Confident | 81 | Confident | 41 Ų | 41 | 88.4 Ų | 88.4 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 174.8 | -66.1 | -176.7 | 175.9 | 175 | 0 | 110.9 | L225 H226 L228 L230 P231 P232 L238 L239 | L225-K235 HydrophobicContact CD2-CB 3.99Å; L225-K235 HydrophobicContact CD2-CG 3.97Å; L225-K235 VanDerWaalsContact O-CE 3.32Å; L225-K235 WeakPolarHBondContact O-CE 3.47Å; H226-K235 PolarHBondContact O-NZ 3.2Å; L228-K235 WeakPolarHBondContact O-CE 3.5Å; L228-K235 PolarHBondContact O-NZ 3.3Å; L230-K235 HydrophobicContact CB-CG 3.96Å; L230-K235 WeakPolarHBondContact O-CE 3.31Å; P231-K235 PolarHBondContact O-N 3.48Å; P231-K235 VanDerWaalsContact O-N 3.1Å; P232-K235 WeakPolarHBondContact O-CB 3.45Å; P232-K235 PolarHBondContact O-N 3.02Å; P232-K235 VanDerWaalsContact O-N 3.13Å; K235-L238 PolarHBondContact O-N 2.88Å; K235-L239 VanDerWaalsContact O-CB 3.28Å; K235-L239 WeakPolarHBondContact O-CB 3.48Å; K235-L239 VanDerWaalsContact O-CG 3.22Å; K235-L239 WeakPolarHBondContact O-CG 3.26Å; K235-L239 PolarHBondContact O-N 2.8Å |
| 236 | Q | 82.3 | Confident | 81.1 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 43% | 0.425 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59 | -50.5 | 175.7 | -82.3 | 177.9 | -27.4 | 0 | 0 | 112.1 | P232 L238 L239 Y240 Q241 | P232-Q236 PolarHBondContact O-N 2.9Å; Q236-L238 VanDerWaalsContact C-N 3.31Å; Q236-L238 PolarHBondContact O-N 3.28Å; Q236-L239 CarbonylContact O-C 3.54Å; Q236-L239 WeakPolarHBondContact O-CA 3.31Å; Q236-L239 PolarHBondContact O-N 2.85Å; Q236-Y240 PolarHBondContact O-N 3.05Å; Q236-Q241 CarbonylContact C-O 3.56Å; Q236-Q241 HydrophobicContact CB-CB 4.26Å; Q236-Q241 WeakPolarHBondContact CB-O 3.46Å; Q236-Q241 HydrophobicContact CG-CB 4.06Å; Q236-Q241 PolarHBondContact O-N 3Å |
| 237 | Y | 79.9 | Confident | 81.2 | Confident | 77 Ų | 77 | 92 Ų | 92 | 30% | 0.302 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 176.5 | 176.9 | -101.2 | 0 | 0 | 0 | 112.8 | A206 D207 R210 M233 I234 L239 | A206-Y237 HydrophobicContact CB-CE1 4.5Å; A206-Y237 WeakPolarHBondContact CB-OH 3.39Å; A206-Y237 PolarHBondContact O-OH 2.91Å; D207-Y237 PolarHBondContact N-OH 2.98Å; D207-Y237 PolarHBondContact OD1-OH 3.07Å; R210-Y237 HydrophobicContact CB-CD1 4.47Å; R210-Y237 HydrophobicContact CB-CE1 3.72Å; R210-Y237 WeakPolarHBondContact CD-O 3.23Å; R210-Y237 HydrophobicContact CG-CE1 4.19Å; R210-Y237 VanDerWaalsContact CZ-OH 3.22Å; R210-Y237 VanDerWaalsContact NE-CE1 3.34Å; R210-Y237 PolarHBondContact NE-OH 3.34Å; R210-Y237 PolarHBondContact NH1-O 3.04Å; R210-Y237 VanDerWaalsContact NH1-O 3.16Å; R210-Y237 PolarHBondContact NH2-OH 3.17Å; M233-Y237 WeakPolarHBondContact O-CB 3.4Å; M233-Y237 PolarHBondContact O-N 2.67Å; I234-Y237 PolarHBondContact O-N 3Å; Y237-L239 VanDerWaalsContact C-N 3.35Å |
| 238 | L | 81 | Confident | 81.1 | Confident | 6 Ų | 6 | 88.8 Ų | 88.8 | 3% | 0.031 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 174 | -72 | 174.1 | 0 | 0 | 0 | 111.4 | R210 I213 R214 L225 L230 I234 K235 Q236 | R210-L238 HydrophobicContact CB-CD2 4.23Å; R210-L238 HydrophobicContact CG-CD2 4.13Å; I213-L238 HydrophobicContact CB-CD2 4.07Å; I213-L238 HydrophobicContact CD1-CD2 4.04Å; I213-L238 HydrophobicContact CG2-CD1 4.17Å; I213-L238 HydrophobicContact CG2-CD2 3.71Å; R214-L238 PolarHBondContact NE-O 3.46Å; R214-L238 PolarHBondContact NH2-O 3.24Å; L225-L238 HydrophobicContact CD1-CB 4.3Å; L225-L238 HydrophobicContact CD1-CD1 4.15Å; L225-L238 HydrophobicContact CD2-CB 4.31Å; L225-L238 HydrophobicContact CD2-CD1 4.33Å; L230-L238 HydrophobicContact CD1-CD1 4.1Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.23Å; I234-L238 VanDerWaalsContact O-CB 3.31Å; I234-L238 WeakPolarHBondContact O-CB 3.49Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.12Å; K235-L238 PolarHBondContact O-N 2.88Å; Q236-L238 VanDerWaalsContact C-N 3.31Å; Q236-L238 PolarHBondContact O-N 3.28Å |
| 239 | L | 77.5 | Confident | 81.1 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -85.1 | -5.4 | -178.7 | -70.1 | 171.8 | 0 | 0 | 0 | 114.8 | R214 I222 L225 K235 Q236 Y237 Q241 | R214-L239 PolarHBondContact NH2-O 3.25Å; I222-L239 HydrophobicContact CG2-CD2 4.31Å; L225-L239 HydrophobicContact CD2-CD1 4.34Å; L225-L239 HydrophobicContact CD2-CG 4.18Å; K235-L239 VanDerWaalsContact O-CB 3.28Å; K235-L239 WeakPolarHBondContact O-CB 3.48Å; K235-L239 VanDerWaalsContact O-CG 3.22Å; K235-L239 WeakPolarHBondContact O-CG 3.26Å; K235-L239 PolarHBondContact O-N 2.8Å; Q236-L239 CarbonylContact O-C 3.54Å; Q236-L239 WeakPolarHBondContact O-CA 3.31Å; Q236-L239 PolarHBondContact O-N 2.85Å; Y237-L239 VanDerWaalsContact C-N 3.35Å; L239-Q241 HydrophobicContact CB-CB 4.46Å; L239-Q241 HydrophobicContact CB-CG 4Å |
| 240 | Y | 67.9 | Low | 80.6 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 37% | 0.365 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.2 | -168.2 | -59.8 | -71.9 | 0 | 0 | 0 | 112.3 | F11 Q236 | F11-Y240 HydrophobicContact CB-CE1 4.39Å; F11-Y240 HydrophobicContact CB-CE2 3.92Å; F11-Y240 WeakPolarHBondContact CB-OH 3.4Å; F11-Y240 AromaticContact CD1-CD2 3.98Å; F11-Y240 HydrophobicContact CD1-CD2 3.98Å; F11-Y240 AromaticContact CD1-CE2 3.18Å; F11-Y240 HydrophobicContact CD1-CE2 3.18Å; F11-Y240 AromaticContact CD1-CZ 3.81Å; F11-Y240 AromaticContact CE1-CE2 3.79Å; F11-Y240 HydrophobicContact CE1-CE2 3.79Å; F11-Y240 AromaticContact CG-CE2 3.66Å; F11-Y240 HydrophobicContact CG-CE2 3.66Å; F11-Y240 AromaticContact CG-CZ 3.78Å; F11-Y240 WeakPolarHBondContact CG-OH 3.45Å; Q236-Y240 PolarHBondContact O-N 3.05Å |
| 241 | Q | 61.5 | Low | 80.1 | Confident | 175 Ų | 175 | 83.8 Ų | 83.8 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | trans | -108.1 | 0 | 173.4 | -67.9 | -179.2 | -27 | 0 | 0 | 110.9 | Q236 L239 | Q236-Q241 CarbonylContact C-O 3.56Å; Q236-Q241 HydrophobicContact CB-CB 4.26Å; Q236-Q241 WeakPolarHBondContact CB-O 3.46Å; Q236-Q241 HydrophobicContact CG-CB 4.06Å; Q236-Q241 PolarHBondContact O-N 3Å; L239-Q241 HydrophobicContact CB-CB 4.46Å; L239-Q241 HydrophobicContact CB-CG 4Å |
Retrieved 241 of 241 residues in 74.8 ms
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