| 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 | 92.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 17% | 0.172 | 27% | 0.268 | C | S | . | . | 0 | 137.4 | 0 | -77.4 | -170.3 | 82.1 | 0 | 0 | 108.8 | I3 S87 F88 N89 F366 P367 | M1-I3 HydrophobicContact CB-CD1 4.11Å; M1-S87 PolarHBondContact N-O 3.33Å; M1-F88 HydrophobicContact CB-CD1 4.03Å; M1-F88 CarbonylContact O-C 3.58Å; M1-F88 WeakPolarHBondContact O-CA 3.34Å; M1-F88 HydrophobicContact SD-CD1 4.33Å; M1-F88 HydrophobicContact SD-CE1 3.95Å; M1-N89 PolarHBondContact O-N 2.87Å; M1-F366 HydrophobicContact CG-CD1 3.82Å; M1-F366 HydrophobicContact CG-CE1 3.95Å; M1-F366 HydrophobicContact SD-CD1 3.73Å; M1-F366 HydrophobicContact SD-CE1 3.31Å; M1-F366 WeakPolarHBondContact SD-CE1 3.49Å; M1-F366 HydrophobicContact SD-CZ 3.87Å; M1-P367 HydrophobicContact CG-CG 4.21Å | |||
| 2 | E | 95.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.5 | 179.8 | -62.8 | -64.5 | 90.6 | 0 | 0 | 112 | N7 N89 Y91 K125 | E2-N7 PolarHBondContact O-ND2 3.18Å; E2-N89 WeakPolarHBondContact OE1-CB 3.4Å; E2-N89 PolarHBondContact OE1-ND2 3.48Å; E2-Y91 VanDerWaalsContact OE2-CE2 3.31Å; E2-Y91 WeakPolarHBondContact OE2-CE2 3.43Å; E2-Y91 PolarHBondContact OE2-OH 3.37Å; E2-K125 IonicContact OE2-NZ 2.96Å; E2-K125 PolarHBondContact OE2-NZ 3.12Å |
| 3 | I | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.4 | -177.6 | -43.9 | -63.3 | 0 | 0 | 0 | 110.6 | M1 N7 F8 N11 F88 N89 F90 Y91 I131 | M1-I3 HydrophobicContact CB-CD1 4.11Å; I3-N7 WeakPolarHBondContact CA-OD1 3.36Å; I3-F8 HydrophobicContact CG2-CB 4.15Å; I3-F8 HydrophobicContact CG2-CD2 3.87Å; I3-N11 HydrophobicContact CD1-CB 4.06Å; I3-F88 HydrophobicContact CD1-CD1 4.23Å; I3-F88 HydrophobicContact CG1-CB 4.48Å; I3-F88 HydrophobicContact CG1-CD1 4.11Å; I3-N89 WeakPolarHBondContact CA-O 3.45Å; I3-N89 WeakPolarHBondContact CB-O 3.5Å; I3-N89 PolarHBondContact N-O 2.7Å; I3-F90 HydrophobicContact CB-CD1 3.65Å; I3-F90 HydrophobicContact CB-CE1 3.97Å; I3-F90 HydrophobicContact CB-CG 4.35Å; I3-F90 HydrophobicContact CG1-CD1 4.07Å; I3-F90 HydrophobicContact CG1-CE1 3.93Å; I3-F90 HydrophobicContact CG1-CZ 4.47Å; I3-F90 HydrophobicContact CG2-CD1 3.69Å; I3-F90 HydrophobicContact CG2-CE1 3.85Å; I3-Y91 PolarHBondContact O-N 3.3Å; I3-I131 HydrophobicContact CG2-CD1 4.07Å |
| 4 | I | 98.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | trans | -132.9 | 169.1 | -178.2 | 58.1 | 168.7 | 0 | 0 | 0 | 109.6 | S6 N7 F8 Y91 K125 N129 | I4-S6 WeakPolarHBondContact CD1-OG 3.31Å; I4-S6 PolarHBondContact O-N 2.8Å; I4-N7 PolarHBondContact N-OD1 3.46Å; I4-N7 PolarHBondContact O-N 3.37Å; I4-N7 PolarHBondContact O-OD1 3.12Å; I4-F8 WeakPolarHBondContact O-CB 3.33Å; I4-F8 PolarHBondContact O-N 2.99Å; I4-Y91 HydrophobicContact CG2-CD2 3.79Å; I4-Y91 HydrophobicContact CG2-CG 4.26Å; I4-K125 HydrophobicContact CG2-CB 4Å; I4-K125 HydrophobicContact CG2-CG 4.29Å; I4-N129 HydrophobicContact CB-CB 4.23Å; I4-N129 HydrophobicContact CD1-CB 4.15Å | ||
| 5 | R | 98 | Very high | 97.4 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 36% | 0.362 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -37.3 | -175.3 | -172.7 | 170.6 | 66.1 | -118.1 | 1.1 | 114.7 | R128 N129 G130 | R5-R128 PolarHBondContact NH1-O 2.78Å; R5-R128 VanDerWaalsContact NH1-O 3.1Å; R5-R128 PolarHBondContact NH2-O 2.65Å; R5-N129 WeakPolarHBondContact CB-O 3.34Å; R5-N129 PolarHBondContact N-O 2.97Å; R5-G130 WeakPolarHBondContact CB-O 3.35Å; R5-G130 PolarHBondContact NH1-O 2.97Å |
| 6 | S | 97.7 | Very high | 97.5 | Very high | 96 Ų | 96 | 52.2 Ų | 52.2 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22.4 | -178.5 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | I4 | I4-S6 WeakPolarHBondContact CD1-OG 3.31Å; I4-S6 PolarHBondContact O-N 2.8Å |
| 7 | N | 98 | Very high | 97.5 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -1.9 | -178 | 77.2 | -1.4 | 0 | 0 | 0 | 114.1 | E2 I3 I4 S10 N11 | E2-N7 PolarHBondContact O-ND2 3.18Å; I3-N7 WeakPolarHBondContact CA-OD1 3.36Å; I4-N7 PolarHBondContact N-OD1 3.46Å; I4-N7 PolarHBondContact O-N 3.37Å; I4-N7 PolarHBondContact O-OD1 3.12Å; N7-S10 PolarHBondContact O-N 3.36Å; N7-S10 PolarHBondContact O-OG 2.97Å; N7-S10 VanDerWaalsContact O-OG 3.06Å; N7-N11 PolarHBondContact O-N 3.32Å; N7-N11 VanDerWaalsContact O-N 3.14Å; N7-N11 PolarHBondContact O-ND2 2.87Å |
| 8 | F | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -57.8 | 178.7 | 177.3 | -111.4 | 0 | 0 | 0 | 111.8 | I3 I4 S10 N11 L12 F90 I131 G269 F270 V273 | I3-F8 HydrophobicContact CG2-CB 4.15Å; I3-F8 HydrophobicContact CG2-CD2 3.87Å; I4-F8 WeakPolarHBondContact O-CB 3.33Å; I4-F8 PolarHBondContact O-N 2.99Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 2.8Å; F8-N11 PolarHBondContact O-N 2.88Å; F8-N11 VanDerWaalsContact O-N 3.13Å; F8-L12 HydrophobicContact CE1-CD2 4.23Å; F8-L12 HydrophobicContact CE2-CD1 4.03Å; F8-L12 HydrophobicContact CZ-CD1 3.83Å; F8-L12 HydrophobicContact CZ-CD2 4.3Å; F8-L12 WeakPolarHBondContact O-CB 3.37Å; F8-L12 PolarHBondContact O-N 2.8Å; F8-F90 HydrophobicContact CD2-CD1 4.31Å; F8-F90 HydrophobicContact CD2-CE1 4.39Å; F8-F90 HydrophobicContact CE2-CD1 4.31Å; F8-F90 HydrophobicContact CE2-CE1 4.26Å; F8-I131 HydrophobicContact CB-CD1 4.24Å; F8-I131 HydrophobicContact CB-CG1 4.07Å; F8-I131 HydrophobicContact CB-CG2 4.28Å; F8-I131 HydrophobicContact CD1-CG2 3.81Å; F8-I131 HydrophobicContact CD2-CD1 3.7Å; F8-I131 HydrophobicContact CD2-CG1 4.28Å; F8-I131 HydrophobicContact CD2-CG2 4.03Å; F8-I131 HydrophobicContact CE1-CG2 4.12Å; F8-I131 HydrophobicContact CE2-CD1 4.37Å; F8-I131 HydrophobicContact CE2-CG2 4.31Å; F8-I131 HydrophobicContact CG-CD1 4.16Å; F8-I131 HydrophobicContact CG-CG1 4.24Å; F8-I131 HydrophobicContact CG-CG2 3.77Å; F8-I131 HydrophobicContact CZ-CG2 4.36Å; F8-G269 WeakPolarHBondContact CE1-O 3.22Å; F8-G269 VanDerWaalsContact CZ-O 3.23Å; F8-G269 WeakPolarHBondContact CZ-O 3.43Å; F8-F270 HydrophobicContact CE2-CD2 4.37Å; F8-V273 HydrophobicContact CE2-CG2 3.72Å; F8-V273 HydrophobicContact CZ-CG2 3.98Å |
| 9 | K | 96.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 39% | 0.391 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.2 | -43.6 | -178.6 | -165.1 | -169.2 | -163.1 | 83.5 | 0 | 112.9 | E262 D266 | K9-E262 WeakPolarHBondContact CE-OE1 3.31Å; K9-E262 VanDerWaalsContact NZ-CG 3.32Å; K9-E262 IonicContact NZ-OE1 3.33Å; K9-E262 PolarHBondContact NZ-OE1 3.46Å; K9-D266 IonicContact NZ-OD1 2.72Å; K9-D266 PolarHBondContact NZ-OD1 3.1Å; K9-D266 IonicContact NZ-OD2 3.47Å; K9-D266 PolarHBondContact NZ-OD2 2.85Å |
| 10 | S | 97.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -23.9 | -178.2 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | N7 F8 H13 | N7-S10 PolarHBondContact O-N 3.36Å; N7-S10 PolarHBondContact O-OG 2.97Å; N7-S10 VanDerWaalsContact O-OG 3.06Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 2.8Å; S10-H13 PolarHBondContact O-CE1 3.38Å; S10-H13 PolarHBondContact O-ND1 2.92Å |
| 11 | N | 97.8 | Very high | 97.7 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -100.2 | -9.7 | 176.4 | -68.7 | -77.2 | 0 | 0 | 0 | 114.1 | I3 N7 F8 H13 K14 V15 | I3-N11 HydrophobicContact CD1-CB 4.06Å; N7-N11 PolarHBondContact O-N 3.32Å; N7-N11 VanDerWaalsContact O-N 3.14Å; N7-N11 PolarHBondContact O-ND2 2.87Å; F8-N11 PolarHBondContact O-N 2.88Å; F8-N11 VanDerWaalsContact O-N 3.13Å; N11-H13 PolarHBondContact O-N 2.82Å; N11-H13 VanDerWaalsContact O-N 3.16Å; N11-K14 WeakPolarHBondContact O-CA 3.39Å; N11-K14 WeakPolarHBondContact O-CB 3.42Å; N11-K14 PolarHBondContact O-N 3.29Å; N11-K14 PolarHBondContact OD1-NZ 2.81Å; N11-V15 PolarHBondContact O-N 2.71Å; N11-V15 VanDerWaalsContact O-N 3.17Å |
| 12 | L | 97.8 | Very high | 98 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -34.4 | -175.2 | -173.8 | 59.1 | 0 | 0 | 0 | 113.4 | F8 K14 V15 Y16 R272 V273 | F8-L12 HydrophobicContact CE1-CD2 4.23Å; F8-L12 HydrophobicContact CE2-CD1 4.03Å; F8-L12 HydrophobicContact CZ-CD1 3.83Å; F8-L12 HydrophobicContact CZ-CD2 4.3Å; F8-L12 WeakPolarHBondContact O-CB 3.37Å; F8-L12 PolarHBondContact O-N 2.8Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 2.81Å; L12-V15 WeakPolarHBondContact O-CB 3.49Å; L12-V15 PolarHBondContact O-N 2.75Å; L12-Y16 HydrophobicContact CD1-CD1 4.4Å; L12-Y16 HydrophobicContact CD1-CE1 3.88Å; L12-Y16 HydrophobicContact CD1-CE2 4.19Å; L12-Y16 HydrophobicContact CD2-CE2 4.01Å; L12-Y16 HydrophobicContact CG-CD2 4.19Å; L12-Y16 HydrophobicContact CG-CE1 4.3Å; L12-Y16 HydrophobicContact CG-CE2 3.68Å; L12-Y16 PolarHBondContact O-N 2.97Å; L12-R272 VanDerWaalsContact CD2-CZ 3.42Å; L12-V273 HydrophobicContact CD1-CG2 3.92Å |
| 13 | H | 97.6 | Very high | 98.1 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 173.7 | 71.6 | -87.7 | 0 | 0 | 0 | 112.9 | S10 N11 Y16 Q17 | S10-H13 PolarHBondContact O-CE1 3.38Å; S10-H13 PolarHBondContact O-ND1 2.92Å; N11-H13 PolarHBondContact O-N 2.82Å; N11-H13 VanDerWaalsContact O-N 3.16Å; H13-Y16 PolarHBondContact O-N 3.12Å; H13-Q17 WeakPolarHBondContact O-CB 3.29Å; H13-Q17 PolarHBondContact O-N 3.06Å |
| 14 | K | 97.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70 | -35.7 | 175.6 | -55.1 | -178.2 | -177.6 | 166.9 | 0 | 111.5 | N11 L12 A18 | N11-K14 WeakPolarHBondContact O-CA 3.39Å; N11-K14 WeakPolarHBondContact O-CB 3.42Å; N11-K14 PolarHBondContact O-N 3.29Å; N11-K14 PolarHBondContact OD1-NZ 2.81Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 2.81Å; K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.3Å; K14-A18 PolarHBondContact O-N 3.24Å |
| 15 | V | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | N11 L12 Q17 A18 I19 F88 F90 V273 | N11-V15 PolarHBondContact O-N 2.71Å; N11-V15 VanDerWaalsContact O-N 3.17Å; L12-V15 WeakPolarHBondContact O-CB 3.49Å; L12-V15 PolarHBondContact O-N 2.75Å; V15-Q17 PolarHBondContact O-N 2.97Å; V15-A18 PolarHBondContact O-N 3.06Å; V15-I19 HydrophobicContact CG1-CD1 3.87Å; V15-I19 WeakPolarHBondContact O-CB 3.08Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 2.84Å; V15-F88 HydrophobicContact CG2-CD1 3.99Å; V15-F88 HydrophobicContact CG2-CE1 3.71Å; V15-F88 HydrophobicContact CG2-CZ 4.16Å; V15-F90 HydrophobicContact CB-CZ 4.43Å; V15-F90 HydrophobicContact CG1-CE1 4.48Å; V15-F90 HydrophobicContact CG1-CZ 3.79Å; V15-F90 HydrophobicContact CG2-CE1 3.94Å; V15-F90 HydrophobicContact CG2-CZ 3.7Å; V15-V273 HydrophobicContact CG1-CG1 3.94Å; V15-V273 HydrophobicContact CG1-CG2 4.23Å |
| 16 | Y | 98.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | 175.5 | -66.4 | -29.3 | 0 | 0 | 0 | 112.7 | L12 H13 A18 I19 E20 R272 A276 | L12-Y16 HydrophobicContact CD1-CD1 4.4Å; L12-Y16 HydrophobicContact CD1-CE1 3.88Å; L12-Y16 HydrophobicContact CD1-CE2 4.19Å; L12-Y16 HydrophobicContact CD2-CE2 4.01Å; L12-Y16 HydrophobicContact CG-CD2 4.19Å; L12-Y16 HydrophobicContact CG-CE1 4.3Å; L12-Y16 HydrophobicContact CG-CE2 3.68Å; L12-Y16 PolarHBondContact O-N 2.97Å; H13-Y16 PolarHBondContact O-N 3.12Å; Y16-A18 PolarHBondContact O-N 3.36Å; Y16-I19 PolarHBondContact O-N 2.92Å; Y16-E20 WeakPolarHBondContact O-CB 3.16Å; Y16-E20 PolarHBondContact O-N 2.79Å; Y16-R272 PolarHBondContact OH-NE 2.86Å; Y16-A276 HydrophobicContact CD1-CB 3.69Å; Y16-A276 HydrophobicContact CE1-CB 3.59Å |
| 17 | Q | 98.5 | Very high | 98.3 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.3 | -173.8 | -175.8 | 11.5 | 0 | 0 | 112 | H13 V15 E20 E21 | H13-Q17 WeakPolarHBondContact O-CB 3.29Å; H13-Q17 PolarHBondContact O-N 3.06Å; V15-Q17 PolarHBondContact O-N 2.97Å; Q17-E20 PolarHBondContact O-N 3.08Å; Q17-E21 WeakPolarHBondContact O-CG 3.29Å; Q17-E21 PolarHBondContact O-N 3.13Å |
| 18 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K14 V15 Y16 A22 T73 K86 F88 | K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.3Å; K14-A18 PolarHBondContact O-N 3.24Å; V15-A18 PolarHBondContact O-N 3.06Å; Y16-A18 PolarHBondContact O-N 3.36Å; A18-A22 WeakPolarHBondContact O-CB 3.34Å; A18-A22 PolarHBondContact O-N 3.29Å; A18-T73 HydrophobicContact CB-CG2 3.97Å; A18-K86 HydrophobicContact CB-CB 4.44Å; A18-K86 HydrophobicContact CB-CD 3.77Å; A18-F88 HydrophobicContact CB-CE2 4Å; A18-F88 HydrophobicContact CB-CZ 4.07Å |
| 19 | I | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 172.9 | -71.3 | 169.6 | 0 | 0 | 0 | 110.9 | V15 Y16 F25 L71 V273 A276 I277 K282 | V15-I19 HydrophobicContact CG1-CD1 3.87Å; V15-I19 WeakPolarHBondContact O-CB 3.08Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 2.84Å; Y16-I19 PolarHBondContact O-N 2.92Å; I19-F25 HydrophobicContact CB-CE1 4.34Å; I19-F25 HydrophobicContact CB-CZ 4.08Å; I19-F25 HydrophobicContact CG1-CE1 4.3Å; I19-F25 HydrophobicContact CG1-CZ 4.26Å; I19-F25 HydrophobicContact CG2-CE1 4.48Å; I19-F25 HydrophobicContact CG2-CE2 4.34Å; I19-F25 HydrophobicContact CG2-CZ 3.74Å; I19-F25 VanDerWaalsContact O-CZ 3.3Å; I19-F25 WeakPolarHBondContact O-CZ 3.43Å; I19-L71 HydrophobicContact CD1-CD2 4.41Å; I19-L71 HydrophobicContact CG1-CD2 4.4Å; I19-V273 HydrophobicContact CD1-CG1 4.21Å; I19-A276 HydrophobicContact CD1-CB 3.95Å; I19-A276 HydrophobicContact CG2-CB 4.41Å; I19-I277 HydrophobicContact CD1-CG1 3.87Å; I19-I277 HydrophobicContact CG1-CG1 4.41Å; I19-K282 PolarHBondContact O-NZ 2.78Å |
| 20 | E | 98.6 | Very high | 98.4 | Very high | 151 Ų | 151 | 36.3 Ų | 36.3 | 71% | 0.706 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -63.7 | -46.3 | -178.5 | -175.7 | 173.9 | -148.7 | 0 | 0 | 112 | Y16 Q17 K282 | Y16-E20 WeakPolarHBondContact O-CB 3.16Å; Y16-E20 PolarHBondContact O-N 2.79Å; Q17-E20 PolarHBondContact O-N 3.08Å; E20-K282 WeakPolarHBondContact O-CE 3.29Å; E20-K282 PolarHBondContact O-NZ 3.18Å |
| 21 | E | 98.1 | Very high | 98.4 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -87.9 | -12 | -169.3 | 77 | 178.3 | 141.4 | 0 | 0 | 116.5 | Q17 K75 K86 | Q17-E21 WeakPolarHBondContact O-CG 3.29Å; Q17-E21 PolarHBondContact O-N 3.13Å; E21-K75 HydrophobicContact CB-CD 4.38Å; E21-K75 HydrophobicContact CG-CD 4.07Å; E21-K75 WeakPolarHBondContact O-CE 3.33Å; E21-K75 WeakPolarHBondContact O-CG 3.37Å; E21-K75 IonicContact OE2-NZ 3.31Å; E21-K75 PolarHBondContact OE2-NZ 3Å; E21-K86 IonicContact OE1-NZ 2.69Å; E21-K86 PolarHBondContact OE1-NZ 3.16Å |
| 22 | A | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | trans | -70.8 | 159.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 F25 F74 K282 | A18-A22 WeakPolarHBondContact O-CB 3.34Å; A18-A22 PolarHBondContact O-N 3.29Å; A22-F25 HydrophobicContact CB-CD1 4.05Å; A22-F25 HydrophobicContact CB-CE1 3.48Å; A22-F25 VanDerWaalsContact CB-CE1 3.48Å; A22-F25 HydrophobicContact CB-CZ 4.34Å; A22-F74 WeakPolarHBondContact CB-O 3.45Å; A22-K282 WeakPolarHBondContact O-CD 3.49Å; A22-K282 WeakPolarHBondContact O-CE 3.25Å | ||
| 23 | D | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -82.8 | -36 | 164.3 | -76.7 | -65.6 | 0 | 0 | 0 | 111.7 | F74 Y76 R411 | D23-F74 PolarHBondContact N-O 3.25Å; D23-Y76 PolarHBondContact OD2-N 2.89Å; D23-R411 IonicContact OD1-CZ 2.67Å; D23-R411 VanDerWaalsContact OD1-CZ 3.26Å; D23-R411 IonicContact OD1-NH1 2.66Å; D23-R411 PolarHBondContact OD1-NH1 2.73Å; D23-R411 IonicContact OD1-NH2 2.69Å; D23-R411 PolarHBondContact OD1-NH2 2.86Å |
| 24 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 172.4 | 179.1 | 68.3 | -88.6 | 0 | 0 | 0 | 111.6 | F74 Y83 L283 I285 F390 I391 A410 | F24-F74 HydrophobicContact CD1-CB 4.06Å; F24-F74 HydrophobicContact CD2-CB 4.12Å; F24-F74 HydrophobicContact CD2-CD2 4.13Å; F24-F74 HydrophobicContact CD2-CG 4.35Å; F24-F74 HydrophobicContact CE1-CB 3.61Å; F24-F74 HydrophobicContact CE1-CG 4.26Å; F24-F74 HydrophobicContact CE2-CB 3.65Å; F24-F74 HydrophobicContact CE2-CD1 4.3Å; F24-F74 AromaticContact CE2-CD2 3.51Å; F24-F74 HydrophobicContact CE2-CD2 3.51Å; F24-F74 HydrophobicContact CE2-CE2 4.25Å; F24-F74 AromaticContact CE2-CG 3.56Å; F24-F74 HydrophobicContact CE2-CG 3.56Å; F24-F74 HydrophobicContact CG-CB 4.31Å; F24-F74 HydrophobicContact CZ-CB 3.37Å; F24-F74 AromaticContact CZ-CD1 3.97Å; F24-F74 HydrophobicContact CZ-CD1 3.97Å; F24-F74 AromaticContact CZ-CD2 3.98Å; F24-F74 HydrophobicContact CZ-CD2 3.98Å; F24-F74 AromaticContact CZ-CG 3.51Å; F24-F74 HydrophobicContact CZ-CG 3.51Å; F24-F74 PolarHBondContact N-O 2.87Å; F24-F74 PolarHBondContact O-N 3.13Å; F24-Y83 HydrophobicContact CE1-CD1 4.43Å; F24-Y83 AromaticContact CE1-CE1 3.72Å; F24-Y83 HydrophobicContact CE1-CE1 3.72Å; F24-Y83 HydrophobicContact CZ-CE1 4.39Å; F24-L283 WeakPolarHBondContact CA-O 3.36Å; F24-L283 HydrophobicContact CB-CB 3.87Å; F24-L283 HydrophobicContact CB-CD2 4.31Å; F24-L283 HydrophobicContact CB-CG 4.26Å; F24-L283 WeakPolarHBondContact CB-O 3.32Å; F24-I285 HydrophobicContact CD2-CD1 3.38Å; F24-I285 HydrophobicContact CD2-CG1 4.08Å; F24-I285 HydrophobicContact CE2-CD1 3.68Å; F24-I285 HydrophobicContact CG-CD1 4.14Å; F24-F390 HydrophobicContact CD1-CE1 4.15Å; F24-F390 HydrophobicContact CD2-CD1 4.33Å; F24-F390 HydrophobicContact CD2-CE1 4.31Å; F24-F390 HydrophobicContact CE1-CD1 4.23Å; F24-F390 AromaticContact CE1-CE1 3.84Å; F24-F390 HydrophobicContact CE1-CE1 3.84Å; F24-F390 AromaticContact CE2-CD1 3.75Å; F24-F390 HydrophobicContact CE2-CD1 3.75Å; F24-F390 HydrophobicContact CE2-CE1 4.03Å; F24-F390 HydrophobicContact CG-CE1 4.37Å; F24-F390 AromaticContact CZ-CD1 3.69Å; F24-F390 HydrophobicContact CZ-CD1 3.69Å; F24-F390 AromaticContact CZ-CE1 3.78Å; F24-F390 HydrophobicContact CZ-CE1 3.78Å; F24-I391 HydrophobicContact CE1-CG1 4.32Å; F24-I391 HydrophobicContact CZ-CD1 3.93Å; F24-I391 HydrophobicContact CZ-CG1 3.7Å; F24-A410 HydrophobicContact CB-CB 4.04Å; F24-A410 HydrophobicContact CD1-CB 3.51Å; F24-A410 HydrophobicContact CE1-CB 4.29Å; F24-A410 HydrophobicContact CG-CB 4.05Å |
| 25 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.5 | 175.6 | -44.4 | -56.9 | 0 | 0 | 0 | 111 | I19 A22 L71 C72 T73 I277 S280 K282 L283 V284 I285 | I19-F25 HydrophobicContact CB-CE1 4.34Å; I19-F25 HydrophobicContact CB-CZ 4.08Å; I19-F25 HydrophobicContact CG1-CE1 4.3Å; I19-F25 HydrophobicContact CG1-CZ 4.26Å; I19-F25 HydrophobicContact CG2-CE1 4.48Å; I19-F25 HydrophobicContact CG2-CE2 4.34Å; I19-F25 HydrophobicContact CG2-CZ 3.74Å; I19-F25 VanDerWaalsContact O-CZ 3.3Å; I19-F25 WeakPolarHBondContact O-CZ 3.43Å; A22-F25 HydrophobicContact CB-CD1 4.05Å; A22-F25 HydrophobicContact CB-CE1 3.48Å; A22-F25 VanDerWaalsContact CB-CE1 3.48Å; A22-F25 HydrophobicContact CB-CZ 4.34Å; F25-L71 HydrophobicContact CB-CD1 3.93Å; F25-L71 HydrophobicContact CD1-CD1 4.48Å; F25-L71 HydrophobicContact CG-CD1 4.25Å; F25-C72 CarbonylContact C-O 3.57Å; F25-C72 WeakPolarHBondContact CA-O 3.43Å; F25-T73 HydrophobicContact CD1-CG2 3.72Å; F25-T73 HydrophobicContact CE1-CG2 3.99Å; F25-I277 HydrophobicContact CD2-CG2 4.04Å; F25-I277 HydrophobicContact CE2-CG2 4.26Å; F25-S280 WeakPolarHBondContact CE2-OG 3.49Å; F25-K282 HydrophobicContact CD2-CB 4.43Å; F25-K282 HydrophobicContact CE2-CB 3.81Å; F25-K282 HydrophobicContact CE2-CD 4.38Å; F25-K282 HydrophobicContact CE2-CG 4.44Å; F25-K282 HydrophobicContact CZ-CB 4.24Å; F25-K282 HydrophobicContact CZ-CD 3.96Å; F25-K282 HydrophobicContact CZ-CG 4.48Å; F25-L283 PolarHBondContact N-O 3.49Å; F25-V284 HydrophobicContact CD2-CG2 4.17Å; F25-V284 CarbonylContact O-C 3.51Å; F25-I285 WeakPolarHBondContact O-CB 3.41Å; F25-I285 WeakPolarHBondContact O-CG1 3.47Å; F25-I285 PolarHBondContact O-N 3.25Å |
| 26 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | C72 F74 I285 A383 T386 | A26-C72 PolarHBondContact N-O 2.94Å; A26-C72 PolarHBondContact O-N 2.85Å; A26-F74 HydrophobicContact CB-CE2 4.04Å; A26-I285 CarbonylContact C-O 3.44Å; A26-I285 VanDerWaalsContact CA-O 3.23Å; A26-I285 WeakPolarHBondContact CA-O 3.45Å; A26-I285 HydrophobicContact CB-CB 4.28Å; A26-A383 WeakPolarHBondContact CB-O 3.29Å; A26-T386 HydrophobicContact CB-CG2 4.32Å |
| 27 | I | 98.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.4 | 179.8 | 64.3 | 168.3 | 0 | 0 | 0 | 110.5 | F69 G70 L71 V284 I285 F319 | I27-F69 HydrophobicContact CB-CE1 4.11Å; I27-F69 HydrophobicContact CB-CZ 3.93Å; I27-F69 HydrophobicContact CD1-CZ 4.05Å; I27-F69 HydrophobicContact CG2-CE1 3.74Å; I27-F69 HydrophobicContact CG2-CZ 3.76Å; I27-G70 VanDerWaalsContact CA-O 3.29Å; I27-G70 WeakPolarHBondContact CA-O 3.34Å; I27-L71 HydrophobicContact CG2-CD1 3.83Å; I27-V284 HydrophobicContact CD1-CG1 3.55Å; I27-V284 HydrophobicContact CG1-CG1 3.71Å; I27-V284 HydrophobicContact CG2-CG1 4.21Å; I27-I285 PolarHBondContact N-O 3.4Å; I27-F319 HydrophobicContact CD1-CE1 4.45Å; I27-F319 HydrophobicContact CD1-CE2 4.31Å; I27-F319 HydrophobicContact CD1-CZ 3.85Å |
| 28 | D | 98.8 | Very high | 93.8 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 158.6 | 176.3 | -170.4 | 78.2 | 0 | 0 | 0 | 108.2 | G70 A379 D382 A383 | D28-G70 PolarHBondContact N-O 3.16Å; D28-G70 WeakPolarHBondContact O-CA 3.34Å; D28-G70 PolarHBondContact O-N 3.49Å; D28-A379 HydrophobicContact CB-CB 4.41Å; D28-D382 HydrophobicContact CB-CB 4.34Å; D28-A383 HydrophobicContact CB-CB 4.04Å |
| 29 | G | 98.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F31 Q68 D292 | G29-F31 VanDerWaalsContact O-CZ 3.31Å; G29-F31 WeakPolarHBondContact O-CZ 3.42Å; G29-Q68 WeakPolarHBondContact CA-O 3.43Å; G29-D292 PolarHBondContact N-OD1 3.41Å |
| 30 | E | 98.4 | Very high | 90.9 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.2 | 170.5 | -62.5 | -66.7 | -177.6 | 0 | 0 | 111.1 | F67 Q68 L116 F121 H377 A379 | E30-F67 HydrophobicContact CB-CD1 4.31Å; E30-F67 HydrophobicContact CB-CE1 3.99Å; E30-F67 WeakPolarHBondContact O-CD1 3.37Å; E30-F67 PolarHBondContact O-N 2.63Å; E30-Q68 HydrophobicContact CB-CB 4.1Å; E30-Q68 HydrophobicContact CG-CB 4.49Å; E30-Q68 PolarHBondContact N-O 3.48Å; E30-L116 HydrophobicContact CB-CD2 4.26Å; E30-L116 HydrophobicContact CG-CD2 4.02Å; E30-L116 WeakPolarHBondContact OE2-CD2 3.4Å; E30-F121 HydrophobicContact CB-CE2 4.33Å; E30-F121 HydrophobicContact CG-CE2 4.48Å; E30-H377 VanDerWaalsContact OE1-C 3.27Å; E30-H377 WeakPolarHBondContact OE1-CA 3.49Å; E30-A379 HydrophobicContact CG-CB 4.26Å |
| 31 | F | 98.3 | Very high | 89.2 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 11% | 0.114 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 150 | -173.8 | -44.5 | -55.7 | 0 | 0 | 0 | 112.2 | G29 G33 L65 L66 L291 H295 | G29-F31 VanDerWaalsContact O-CZ 3.31Å; G29-F31 WeakPolarHBondContact O-CZ 3.42Å; F31-G33 VanDerWaalsContact CB-O 3.25Å; F31-G33 WeakPolarHBondContact CB-O 3.4Å; F31-G33 PolarHBondContact O-N 3.35Å; F31-G33 VanDerWaalsContact O-N 3.14Å; F31-L65 CarbonylContact C-O 3.48Å; F31-L65 WeakPolarHBondContact CA-O 3.4Å; F31-L66 HydrophobicContact CD1-CB 3.87Å; F31-L66 HydrophobicContact CD1-CG 4.07Å; F31-L66 HydrophobicContact CE1-CB 4.07Å; F31-L66 HydrophobicContact CE1-CD1 4.01Å; F31-L66 HydrophobicContact CE1-CG 3.91Å; F31-L291 HydrophobicContact CE2-CB 4Å; F31-L291 HydrophobicContact CZ-CB 4.04Å; F31-H295 AromaticContact CD1-CD2 3.68Å; F31-H295 HydrophobicContact CE1-CB 4.31Å; F31-H295 AromaticContact CE1-CD2 3.53Å |
| 32 | S | 98.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -65.7 | -10.5 | 170.1 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | L65 V107 C108 Q109 | S32-L65 PolarHBondContact N-O 3.21Å; S32-L65 PolarHBondContact OG-N 2.85Å; S32-V107 WeakPolarHBondContact CB-O 2.81Å; S32-V107 PolarHBondContact OG-O 3.44Å; S32-C108 CarbonylContact O-C 3.35Å; S32-C108 WeakPolarHBondContact O-CA 3.44Å; S32-Q109 PolarHBondContact O-N 2.81Å |
| 33 | G | 96 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | 173 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F31 F64 | F31-G33 VanDerWaalsContact CB-O 3.25Å; F31-G33 WeakPolarHBondContact CB-O 3.4Å; F31-G33 PolarHBondContact O-N 3.35Å; F31-G33 VanDerWaalsContact O-N 3.14Å; G33-F64 VanDerWaalsContact C-CG 3.5Å; G33-F64 WeakPolarHBondContact O-CB 3.23Å; G33-F64 WeakPolarHBondContact O-CG 3.45Å | ||
| 34 | I | 91.2 | Very high | 85.2 | Confident | 90 Ų | 90 | 31.1 Ų | 31.1 | 46% | 0.462 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -120.1 | -38.2 | -172.2 | -55.7 | 175.8 | 0 | 0 | 0 | 111.9 | S61 L291 | I34-S61 WeakPolarHBondContact O-CB 3.44Å; I34-S61 PolarHBondContact O-OG 3.18Å; I34-L291 HydrophobicContact CG2-CD1 4.14Å |
| 35 | S | 88.3 | Confident | 84.4 | Confident | 21 Ų | 21 | 31.4 Ų | 31.4 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | trans | -154.7 | 129.7 | -175.7 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | G37 H60 F64 | S35-G37 PolarHBondContact OG-N 2.95Å; S35-H60 WeakPolarHBondContact CA-O 3.27Å; S35-F64 VanDerWaalsContact C-CE2 3.42Å | ||
| 36 | D | 82.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 31.7 Ų | 31.7 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -91 | -14.2 | 167.6 | 86.7 | -31.9 | 0 | 0 | 0 | 112.4 | H60 F64 | D36-H60 PolarHBondContact N-O 2.86Å; D36-H60 WeakPolarHBondContact OD1-CA 3.46Å; D36-H60 WeakPolarHBondContact OD1-CB 3.41Å; D36-H60 IonicContact OD1-CE1 3.01Å; D36-H60 IonicContact OD1-CG 3.03Å; D36-H60 IonicContact OD1-ND1 3.2Å; D36-H60 PolarHBondContact OD1-ND1 3.05Å; D36-F64 HydrophobicContact CB-CE2 4.2Å; D36-F64 HydrophobicContact CB-CZ 4.13Å |
| 37 | G | 69.1 | Low | 83.1 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -74.6 | -174.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S35 H60 | S35-G37 PolarHBondContact OG-N 2.95Å; G37-H60 WeakPolarHBondContact CA-ND1 3.46Å |
| 38 | P | 64.4 | Low | 82.6 | Confident | 81 Ų | 81 | 32.1 Ų | 32.1 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -58.2 | 169.2 | 171.3 | 27.1 | -35.2 | 0 | 0 | 0 | 111.7 | A42 | P38-A42 HydrophobicContact CB-CB 4.09Å; P38-A42 HydrophobicContact CG-CB 3.86Å |
| 39 | S | 67.5 | Low | 82.2 | Confident | 82 Ų | 82 | 32.8 Ų | 32.8 | 57% | 0.573 | 21% | 0.207 | S | C | * | . | trans | -41.5 | 142.5 | -176.2 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | S41 A42 | S39-S41 PolarHBondContact O-N 3.43Å; S39-S41 PolarHBondContact OG-OG 3.12Å; S39-S41 VanDerWaalsContact OG-OG 3.13Å; S39-A42 WeakPolarHBondContact O-CB 3.36Å; S39-A42 PolarHBondContact O-N 2.88Å | ||
| 40 | V | 68.9 | Low | 81.9 | Confident | 73 Ų | 73 | 33.2 Ų | 33.2 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -47.2 | -33.6 | -170.6 | -164.5 | 0 | 0 | 0 | 0 | 113.9 | A42 L43 T44 R426 | V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.29Å; V40-L43 PolarHBondContact O-N 2.92Å; V40-T44 HydrophobicContact CG1-CG2 4.31Å; V40-T44 PolarHBondContact O-N 3.32Å; V40-T44 PolarHBondContact O-OG1 2.89Å; V40-R426 VanDerWaalsContact CG1-NH1 3.27Å |
| 41 | S | 62.6 | Low | 81.6 | Confident | 76 Ų | 76 | 34.7 Ų | 34.7 | 53% | 0.531 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.7 | -35.4 | 173.1 | 46.3 | 0 | 0 | 0 | 0 | 115.3 | S39 T44 N45 | S39-S41 PolarHBondContact O-N 3.43Å; S39-S41 PolarHBondContact OG-OG 3.12Å; S39-S41 VanDerWaalsContact OG-OG 3.13Å; S41-T44 CarbonylContact O-C 3.59Å; S41-N45 PolarHBondContact O-N 3.21Å |
| 42 | A | 66.6 | Low | 81.3 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.9 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | P38 S39 V40 T44 K56 | P38-A42 HydrophobicContact CB-CB 4.09Å; P38-A42 HydrophobicContact CG-CB 3.86Å; S39-A42 WeakPolarHBondContact O-CB 3.36Å; S39-A42 PolarHBondContact O-N 2.88Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.29Å; A42-T44 VanDerWaalsContact C-N 3.34Å; A42-K56 PolarHBondContact O-NZ 3.16Å |
| 43 | L | 70.3 | Confident | 81 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -36.9 | 173.3 | -165.9 | 75.3 | 0 | 0 | 0 | 111.6 | V40 R53 K56 L57 H60 | V40-L43 PolarHBondContact O-N 2.92Å; L43-R53 PolarHBondContact O-NE 3.06Å; L43-K56 HydrophobicContact CD1-CB 3.9Å; L43-K56 VanDerWaalsContact O-CD 3.31Å; L43-K56 WeakPolarHBondContact O-CD 3.36Å; L43-L57 HydrophobicContact CD2-CD2 4.08Å; L43-L57 HydrophobicContact CG-CD2 4.44Å; L43-H60 HydrophobicContact CD1-CB 3.58Å |
| 44 | T | 74.6 | Confident | 81 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 59.5 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | V40 S41 A42 M425 R426 | V40-T44 HydrophobicContact CG1-CG2 4.31Å; V40-T44 PolarHBondContact O-N 3.32Å; V40-T44 PolarHBondContact O-OG1 2.89Å; S41-T44 CarbonylContact O-C 3.59Å; A42-T44 VanDerWaalsContact C-N 3.34Å; T44-M425 HydrophobicContact CG2-CE 4.08Å; T44-R426 WeakPolarHBondContact OG1-CD 3.41Å; T44-R426 PolarHBondContact OG1-NH1 3.25Å |
| 45 | N | 81.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | trans | -67.2 | 134.9 | 179 | 177.2 | -49.2 | 0 | 0 | 0 | 109.4 | S41 F47 D48 R53 S474 W475 | S41-N45 PolarHBondContact O-N 3.21Å; N45-F47 PolarHBondContact O-N 2.87Å; N45-F47 VanDerWaalsContact O-N 3.08Å; N45-F47 PolarHBondContact OD1-N 3.41Å; N45-D48 PolarHBondContact N-OD2 2.88Å; N45-D48 PolarHBondContact O-N 3.17Å; N45-D48 VanDerWaalsContact O-N 3.1Å; N45-R53 PolarHBondContact O-NH2 3.44Å; N45-S474 PolarHBondContact ND2-OG 3.37Å; N45-S474 PolarHBondContact OD1-OG 3.1Å; N45-W475 PolarHBondContact ND2-O 2.82Å | ||
| 46 | G | 83.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R426 M428 S474 | G46-R426 WeakPolarHBondContact CA-O 3.23Å; G46-M428 PolarHBondContact O-N 3.05Å; G46-S474 PolarHBondContact N-OG 3.33Å; G46-S474 VanDerWaalsContact N-OG 3.08Å |
| 47 | F | 86.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 17.5 | 178.4 | -68 | -62.8 | 0 | 0 | 0 | 113.6 | N45 T49 M428 R444 V447 F482 | N45-F47 PolarHBondContact O-N 2.87Å; N45-F47 VanDerWaalsContact O-N 3.08Å; N45-F47 PolarHBondContact OD1-N 3.41Å; F47-T49 PolarHBondContact O-N 3.5Å; F47-M428 HydrophobicContact CD1-CE 3.93Å; F47-M428 HydrophobicContact CD2-CE 3.8Å; F47-M428 HydrophobicContact CE1-CE 3.46Å; F47-M428 VanDerWaalsContact CE1-CE 3.46Å; F47-M428 HydrophobicContact CE2-CE 3.33Å; F47-M428 HydrophobicContact CG-CE 4.11Å; F47-M428 HydrophobicContact CZ-CE 3.15Å; F47-R444 PolarHBondContact O-NH1 3.11Å; F47-V447 HydrophobicContact CD1-CG1 4.46Å; F47-V447 HydrophobicContact CD1-CG2 4.29Å; F47-V447 HydrophobicContact CD2-CG1 4.19Å; F47-V447 HydrophobicContact CE1-CB 4.46Å; F47-V447 HydrophobicContact CE1-CG1 4.11Å; F47-V447 HydrophobicContact CE1-CG2 3.46Å; F47-V447 VanDerWaalsContact CE1-CG2 3.46Å; F47-V447 HydrophobicContact CE2-CG1 3.8Å; F47-V447 HydrophobicContact CE2-CG2 4.4Å; F47-V447 HydrophobicContact CG-CG1 4.48Å; F47-V447 HydrophobicContact CZ-CB 4.29Å; F47-V447 HydrophobicContact CZ-CG1 3.73Å; F47-V447 HydrophobicContact CZ-CG2 3.5Å; F47-V447 VanDerWaalsContact CZ-CG2 3.5Å; F47-F482 HydrophobicContact CB-CD2 3.82Å; F47-F482 HydrophobicContact CB-CE2 4.26Å; F47-F482 HydrophobicContact CB-CG 4.42Å; F47-F482 HydrophobicContact CD2-CB 3.47Å; F47-F482 VanDerWaalsContact CD2-CB 3.47Å; F47-F482 HydrophobicContact CD2-CD2 4.11Å; F47-F482 HydrophobicContact CD2-CG 4.04Å; F47-F482 HydrophobicContact CE2-CB 3.87Å; F47-F482 HydrophobicContact CG-CB 4.41Å; F47-F482 HydrophobicContact CG-CD2 4.4Å |
| 48 | D | 88.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | trans | -53.8 | 135.6 | 167.6 | -71.9 | -36 | 0 | 0 | 0 | 109.7 | N45 E52 R53 K56 R444 | N45-D48 PolarHBondContact N-OD2 2.88Å; N45-D48 PolarHBondContact O-N 3.17Å; N45-D48 VanDerWaalsContact O-N 3.1Å; D48-E52 HydrophobicContact CB-CB 4.39Å; D48-R53 HydrophobicContact CB-CB 4.19Å; D48-R53 IonicContact OD2-CZ 2.91Å; D48-R53 IonicContact OD2-NE 3.66Å; D48-R53 PolarHBondContact OD2-NE 3.02Å; D48-R53 IonicContact OD2-NH2 3.62Å; D48-R53 PolarHBondContact OD2-NH2 3.27Å; D48-K56 WeakPolarHBondContact OD1-CE 3.26Å; D48-K56 IonicContact OD1-NZ 2.67Å; D48-K56 PolarHBondContact OD1-NZ 2.9Å; D48-K56 IonicContact OD2-NZ 2.64Å; D48-K56 PolarHBondContact OD2-NZ 2.87Å; D48-R444 PolarHBondContact O-NH2 3.25Å | ||
| 49 | T | 89.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | trans | -69.6 | 158.6 | 158.1 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | F47 E51 E52 R53 M513 | F47-T49 PolarHBondContact O-N 3.5Å; T49-E51 PolarHBondContact O-N 3.05Å; T49-E52 WeakPolarHBondContact CB-OE2 3.47Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.27Å; T49-E52 PolarHBondContact N-OE2 3.22Å; T49-E52 PolarHBondContact O-N 3.49Å; T49-E52 WeakPolarHBondContact OG1-CB 3.25Å; T49-E52 VanDerWaalsContact OG1-CG 3.23Å; T49-E52 WeakPolarHBondContact OG1-CG 3.21Å; T49-E52 PolarHBondContact OG1-N 3.43Å; T49-E52 PolarHBondContact OG1-OE2 3.06Å; T49-R53 PolarHBondContact O-N 3.45Å; T49-M513 HydrophobicContact CG2-CE 4.26Å | ||
| 50 | P | 92.8 | Very high | 85.8 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -39.1 | 177.5 | -28 | 37.6 | 0 | 0 | 0 | 112.7 | R53 Y54 L308 I430 L433 D439 | P50-R53 PolarHBondContact O-N 2.87Å; P50-Y54 WeakPolarHBondContact O-CB 3.34Å; P50-Y54 PolarHBondContact O-N 2.69Å; P50-L308 HydrophobicContact CB-CD2 3.7Å; P50-I430 HydrophobicContact CG-CD1 3.99Å; P50-I430 HydrophobicContact CG-CG2 4.39Å; P50-L433 HydrophobicContact CB-CD1 3.94Å; P50-D439 HydrophobicContact CB-CB 4.37Å; P50-D439 HydrophobicContact CG-CB 3.71Å |
| 51 | E | 93 | Very high | 87 | Confident | 53 Ų | 53 | 32.3 Ų | 32.3 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 173.1 | -179.8 | 60.7 | -117.5 | 0 | 0 | 111.7 | T49 R53 Y54 Q55 L308 | T49-E51 PolarHBondContact O-N 3.05Å; E51-R53 VanDerWaalsContact C-N 3.29Å; E51-R53 PolarHBondContact O-N 2.67Å; E51-Y54 WeakPolarHBondContact O-CB 3.39Å; E51-Y54 PolarHBondContact O-N 2.85Å; E51-Q55 WeakPolarHBondContact O-CG 3.39Å; E51-Q55 PolarHBondContact O-N 2.95Å; E51-Q55 WeakPolarHBondContact OE1-CG 3.45Å; E51-Q55 PolarHBondContact OE1-NE2 3.28Å; E51-L308 WeakPolarHBondContact OE2-CB 3.41Å; E51-L308 PolarHBondContact OE2-N 2.8Å |
| 52 | E | 91.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 29.1 Ų | 29.1 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | 177.7 | -73.4 | 163.3 | 143.4 | 0 | 0 | 112.4 | D48 T49 K56 K516 | D48-E52 HydrophobicContact CB-CB 4.39Å; T49-E52 WeakPolarHBondContact CB-OE2 3.47Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.27Å; T49-E52 PolarHBondContact N-OE2 3.22Å; T49-E52 PolarHBondContact O-N 3.49Å; T49-E52 WeakPolarHBondContact OG1-CB 3.25Å; T49-E52 VanDerWaalsContact OG1-CG 3.23Å; T49-E52 WeakPolarHBondContact OG1-CG 3.21Å; T49-E52 PolarHBondContact OG1-N 3.43Å; T49-E52 PolarHBondContact OG1-OE2 3.06Å; E52-K56 WeakPolarHBondContact O-CB 3.48Å; E52-K56 VanDerWaalsContact O-CG 3.29Å; E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 3.09Å; E52-K516 IonicContact OE1-NZ 3.33Å; E52-K516 PolarHBondContact OE1-NZ 3.34Å |
| 53 | R | 92.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 173.5 | -178.2 | 56 | 57.6 | 73 | 4.6 | 111.5 | L43 N45 D48 T49 P50 E51 Q55 K56 L57 L424 M425 V427 | L43-R53 PolarHBondContact O-NE 3.06Å; N45-R53 PolarHBondContact O-NH2 3.44Å; D48-R53 HydrophobicContact CB-CB 4.19Å; D48-R53 IonicContact OD2-CZ 2.91Å; D48-R53 IonicContact OD2-NE 3.66Å; D48-R53 PolarHBondContact OD2-NE 3.02Å; D48-R53 IonicContact OD2-NH2 3.62Å; D48-R53 PolarHBondContact OD2-NH2 3.27Å; T49-R53 PolarHBondContact O-N 3.45Å; P50-R53 PolarHBondContact O-N 2.87Å; E51-R53 VanDerWaalsContact C-N 3.29Å; E51-R53 PolarHBondContact O-N 2.67Å; R53-Q55 PolarHBondContact O-N 3.38Å; R53-K56 PolarHBondContact O-N 3.41Å; R53-L57 HydrophobicContact CG-CD1 4.01Å; R53-L57 HydrophobicContact CG-CG 4.33Å; R53-L57 WeakPolarHBondContact O-CG 3.23Å; R53-L57 PolarHBondContact O-N 3.2Å; R53-L424 HydrophobicContact CB-CD1 4.43Å; R53-L424 HydrophobicContact CG-CD1 3.92Å; R53-M425 PolarHBondContact NH1-O 2.85Å; R53-V427 VanDerWaalsContact NH2-CG2 3.3Å |
| 54 | Y | 95.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 176.6 | 170.1 | -108.2 | 0 | 0 | 0 | 111.5 | P50 E51 K56 L57 K58 M294 L304 P305 L308 F311 | P50-Y54 WeakPolarHBondContact O-CB 3.34Å; P50-Y54 PolarHBondContact O-N 2.69Å; E51-Y54 WeakPolarHBondContact O-CB 3.39Å; E51-Y54 PolarHBondContact O-N 2.85Å; Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 3.47Å; Y54-L57 PolarHBondContact O-N 2.69Å; Y54-K58 HydrophobicContact CE1-CD 4.32Å; Y54-K58 WeakPolarHBondContact O-CB 3.35Å; Y54-K58 PolarHBondContact O-N 3.05Å; Y54-M294 HydrophobicContact CD2-CE 3.99Å; Y54-M294 HydrophobicContact CE2-CE 4.05Å; Y54-L304 HydrophobicContact CE2-CD1 4.31Å; Y54-P305 WeakPolarHBondContact OH-CD 3.38Å; Y54-P305 PolarHBondContact OH-O 3.04Å; Y54-L308 HydrophobicContact CD1-CB 3.95Å; Y54-L308 HydrophobicContact CD1-CD1 4.47Å; Y54-L308 HydrophobicContact CD2-CD1 4.14Å; Y54-L308 HydrophobicContact CG-CB 4.2Å; Y54-L308 HydrophobicContact CG-CD1 3.91Å; Y54-F311 HydrophobicContact CD2-CB 4.4Å; Y54-F311 HydrophobicContact CD2-CD1 4.04Å; Y54-F311 HydrophobicContact CD2-CG 4.14Å; Y54-F311 HydrophobicContact CE2-CB 3.65Å; Y54-F311 AromaticContact CE2-CD1 3.91Å; Y54-F311 HydrophobicContact CE2-CD1 3.91Å; Y54-F311 AromaticContact CE2-CD2 3.94Å; Y54-F311 HydrophobicContact CE2-CD2 3.94Å; Y54-F311 AromaticContact CE2-CG 3.53Å; Y54-F311 HydrophobicContact CE2-CG 3.53Å |
| 55 | Q | 94.9 | Very high | 92.5 | Very high | 73 Ų | 73 | 31.4 Ų | 31.4 | 34% | 0.341 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 176.7 | -65.8 | -57.9 | -33.6 | 0 | 0 | 112.8 | E51 R53 K59 A306 | E51-Q55 WeakPolarHBondContact O-CG 3.39Å; E51-Q55 PolarHBondContact O-N 2.95Å; E51-Q55 WeakPolarHBondContact OE1-CG 3.45Å; E51-Q55 PolarHBondContact OE1-NE2 3.28Å; R53-Q55 PolarHBondContact O-N 3.38Å; Q55-K59 VanDerWaalsContact O-CB 3.22Å; Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 PolarHBondContact O-N 3.45Å; Q55-A306 PolarHBondContact NE2-O 3.46Å |
| 56 | K | 92.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 23% | 0.226 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -51 | 176.3 | -78.8 | 177.7 | 179.8 | -175 | 0 | 111.9 | A42 L43 D48 E52 R53 Y54 K59 H60 | A42-K56 PolarHBondContact O-NZ 3.16Å; L43-K56 HydrophobicContact CD1-CB 3.9Å; L43-K56 VanDerWaalsContact O-CD 3.31Å; L43-K56 WeakPolarHBondContact O-CD 3.36Å; D48-K56 WeakPolarHBondContact OD1-CE 3.26Å; D48-K56 IonicContact OD1-NZ 2.67Å; D48-K56 PolarHBondContact OD1-NZ 2.9Å; D48-K56 IonicContact OD2-NZ 2.64Å; D48-K56 PolarHBondContact OD2-NZ 2.87Å; E52-K56 WeakPolarHBondContact O-CB 3.48Å; E52-K56 VanDerWaalsContact O-CG 3.29Å; E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 3.09Å; R53-K56 PolarHBondContact O-N 3.41Å; Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 3.47Å; K56-K59 PolarHBondContact O-N 3.4Å; K56-H60 WeakPolarHBondContact O-CB 3.3Å; K56-H60 PolarHBondContact O-CD2 2.9Å; K56-H60 PolarHBondContact O-N 3.42Å |
| 57 | L | 94.3 | Very high | 94 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 179.3 | -65.1 | 177.8 | 0 | 0 | 0 | 111.5 | L43 R53 Y54 K59 H60 S61 L290 L291 M294 | L43-L57 HydrophobicContact CD2-CD2 4.08Å; L43-L57 HydrophobicContact CG-CD2 4.44Å; R53-L57 HydrophobicContact CG-CD1 4.01Å; R53-L57 HydrophobicContact CG-CG 4.33Å; R53-L57 WeakPolarHBondContact O-CG 3.23Å; R53-L57 PolarHBondContact O-N 3.2Å; Y54-L57 PolarHBondContact O-N 2.69Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.86Å; L57-H60 PolarHBondContact O-N 2.95Å; L57-S61 WeakPolarHBondContact O-CA 3.13Å; L57-S61 VanDerWaalsContact O-CB 3.27Å; L57-S61 WeakPolarHBondContact O-CB 3.29Å; L57-S61 PolarHBondContact O-N 2.87Å; L57-L290 HydrophobicContact CD1-CD2 3.66Å; L57-L290 HydrophobicContact CD1-CG 4.19Å; L57-L291 HydrophobicContact CD2-CD2 4.3Å; L57-M294 HydrophobicContact CB-CE 3.77Å; L57-M294 HydrophobicContact CB-SD 3.91Å; L57-M294 HydrophobicContact CD1-SD 4.04Å |
| 58 | K | 95.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -55.8 | -44.5 | 174.7 | -179.7 | -179.2 | 176.9 | 179.8 | 0 | 111.4 | Y54 M62 M294 L304 P305 | Y54-K58 HydrophobicContact CE1-CD 4.32Å; Y54-K58 WeakPolarHBondContact O-CB 3.35Å; Y54-K58 PolarHBondContact O-N 3.05Å; K58-M62 WeakPolarHBondContact O-CB 3.34Å; K58-M62 WeakPolarHBondContact O-CG 3.4Å; K58-M294 HydrophobicContact CB-CE 4.3Å; K58-L304 HydrophobicContact CD-CB 4.24Å; K58-L304 WeakPolarHBondContact CE-O 3.4Å; K58-L304 HydrophobicContact CG-CB 4.32Å; K58-L304 PolarHBondContact NZ-O 3.27Å; K58-P305 PolarHBondContact NZ-O 3.24Å |
| 59 | K | 93.7 | Very high | 95.1 | Very high | 144 Ų | 144 | 30.4 Ų | 30.4 | 63% | 0.626 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -75.2 | -35.7 | -177.7 | -176.4 | 179.3 | 173.6 | -163 | 0 | 113.7 | Q55 K56 L57 | Q55-K59 VanDerWaalsContact O-CB 3.22Å; Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 PolarHBondContact O-N 3.45Å; K56-K59 PolarHBondContact O-N 3.4Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.86Å |
| 60 | H | 93.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 15% | 0.148 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -115 | -8 | -165.6 | -69 | -63.7 | 0 | 0 | 0 | 115.4 | S35 D36 G37 L43 K56 L57 | S35-H60 WeakPolarHBondContact CA-O 3.27Å; D36-H60 PolarHBondContact N-O 2.86Å; D36-H60 WeakPolarHBondContact OD1-CA 3.46Å; D36-H60 WeakPolarHBondContact OD1-CB 3.41Å; D36-H60 IonicContact OD1-CE1 3.01Å; D36-H60 IonicContact OD1-CG 3.03Å; D36-H60 IonicContact OD1-ND1 3.2Å; D36-H60 PolarHBondContact OD1-ND1 3.05Å; G37-H60 WeakPolarHBondContact CA-ND1 3.46Å; L43-H60 HydrophobicContact CD1-CB 3.58Å; K56-H60 WeakPolarHBondContact O-CB 3.3Å; K56-H60 PolarHBondContact O-CD2 2.9Å; K56-H60 PolarHBondContact O-N 3.42Å; L57-H60 PolarHBondContact O-N 2.95Å |
| 61 | S | 94.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -22.5 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | I34 L57 D63 F64 H295 | I34-S61 WeakPolarHBondContact O-CB 3.44Å; I34-S61 PolarHBondContact O-OG 3.18Å; L57-S61 WeakPolarHBondContact O-CA 3.13Å; L57-S61 VanDerWaalsContact O-CB 3.27Å; L57-S61 WeakPolarHBondContact O-CB 3.29Å; L57-S61 PolarHBondContact O-N 2.87Å; S61-D63 PolarHBondContact O-N 2.66Å; S61-F64 WeakPolarHBondContact O-CD2 3.22Å; S61-F64 PolarHBondContact O-N 2.98Å; S61-H295 PolarHBondContact O-CE1 2.99Å |
| 62 | M | 96.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.8 | -173 | -63.8 | -63.7 | 99.6 | 0 | 0 | 115.3 | K58 F64 L291 M294 H295 H298 L304 | K58-M62 WeakPolarHBondContact O-CB 3.34Å; K58-M62 WeakPolarHBondContact O-CG 3.4Å; M62-F64 PolarHBondContact O-N 2.71Å; M62-L291 HydrophobicContact CE-CD2 4.12Å; M62-M294 HydrophobicContact CE-CB 3.74Å; M62-M294 HydrophobicContact CE-CE 4.27Å; M62-M294 HydrophobicContact CG-CE 4.4Å; M62-M294 HydrophobicContact SD-CB 3.84Å; M62-M294 HydrophobicContact SD-CE 4.26Å; M62-H295 WeakPolarHBondContact CE-NE2 3.46Å; M62-H298 HydrophobicContact SD-CB 4.25Å; M62-L304 HydrophobicContact CG-CD1 3.81Å; M62-L304 HydrophobicContact SD-CD1 3.57Å; M62-L304 VanDerWaalsContact SD-CD1 3.57Å; M62-L304 HydrophobicContact SD-CG 4.34Å |
| 63 | D | 96.6 | Very high | 96.4 | Very high | 88 Ų | 88 | 24 Ų | 24 | 47% | 0.471 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.2 | 170.3 | -76.3 | -1 | 0 | 0 | 0 | 112.4 | S61 F106 V107 | S61-D63 PolarHBondContact O-N 2.66Å; D63-F106 CarbonylContact O-C 3.58Å; D63-F106 VanDerWaalsContact O-CA 3.32Å; D63-F106 WeakPolarHBondContact O-CA 3.39Å; D63-V107 HydrophobicContact CB-CG2 3.93Å; D63-V107 PolarHBondContact O-N 2.8Å |
| 64 | F | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 156 | 169.3 | -60.2 | -79.4 | 0 | 0 | 0 | 111.5 | G33 S35 D36 S61 M62 V107 Q109 H295 | G33-F64 VanDerWaalsContact C-CG 3.5Å; G33-F64 WeakPolarHBondContact O-CB 3.23Å; G33-F64 WeakPolarHBondContact O-CG 3.45Å; S35-F64 VanDerWaalsContact C-CE2 3.42Å; D36-F64 HydrophobicContact CB-CE2 4.2Å; D36-F64 HydrophobicContact CB-CZ 4.13Å; S61-F64 WeakPolarHBondContact O-CD2 3.22Å; S61-F64 PolarHBondContact O-N 2.98Å; M62-F64 PolarHBondContact O-N 2.71Å; F64-V107 HydrophobicContact CD1-CB 4.01Å; F64-V107 HydrophobicContact CD1-CG1 4.23Å; F64-V107 VanDerWaalsContact CD1-O 3.27Å; F64-V107 WeakPolarHBondContact CD1-O 3.42Å; F64-V107 HydrophobicContact CE1-CB 3.8Å; F64-V107 HydrophobicContact CE1-CG1 3.52Å; F64-V107 HydrophobicContact CZ-CB 4.31Å; F64-V107 HydrophobicContact CZ-CG1 3.92Å; F64-Q109 HydrophobicContact CE1-CB 3.78Å; F64-Q109 HydrophobicContact CZ-CB 4.29Å; F64-H295 PolarHBondContact O-CE1 2.88Å; F64-H295 PolarHBondContact O-ND1 3.01Å |
| 65 | L | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | trans | -106.7 | 121.2 | -172.7 | -164.6 | 74.7 | 0 | 0 | 0 | 110.1 | F31 S32 F67 F93 P94 F106 Y133 | F31-L65 CarbonylContact C-O 3.48Å; F31-L65 WeakPolarHBondContact CA-O 3.4Å; S32-L65 PolarHBondContact N-O 3.21Å; S32-L65 PolarHBondContact OG-N 2.85Å; L65-F67 HydrophobicContact CD2-CB 4.15Å; L65-F67 HydrophobicContact CG-CB 4.41Å; L65-F67 PolarHBondContact O-N 2.93Å; L65-F93 HydrophobicContact CD2-CD2 4.11Å; L65-F93 HydrophobicContact CD2-CE2 4.41Å; L65-P94 HydrophobicContact CD1-CG 4.04Å; L65-P94 HydrophobicContact CD2-CG 4.48Å; L65-F106 HydrophobicContact CB-CB 4.11Å; L65-F106 HydrophobicContact CB-CD2 3.96Å; L65-F106 HydrophobicContact CB-CG 4.1Å; L65-F106 HydrophobicContact CD1-CB 4.44Å; L65-F106 HydrophobicContact CD2-CD1 4.27Å; L65-F106 HydrophobicContact CD2-CD2 4.17Å; L65-F106 HydrophobicContact CD2-CE1 4.39Å; L65-F106 HydrophobicContact CD2-CE2 4.28Å; L65-F106 HydrophobicContact CD2-CG 4.18Å; L65-F106 HydrophobicContact CD2-CZ 4.4Å; L65-Y133 WeakPolarHBondContact CD1-OH 3.37Å | ||
| 66 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 116.2 | 157.5 | -170.5 | 171.9 | 0 | 0 | 0 | 106.9 | F31 Q68 F69 V92 H295 Q299 | F31-L66 HydrophobicContact CD1-CB 3.87Å; F31-L66 HydrophobicContact CD1-CG 4.07Å; F31-L66 HydrophobicContact CE1-CB 4.07Å; F31-L66 HydrophobicContact CE1-CD1 4.01Å; F31-L66 HydrophobicContact CE1-CG 3.91Å; L66-Q68 WeakPolarHBondContact CD2-O 3.36Å; L66-F69 HydrophobicContact CD1-CD2 4.08Å; L66-F69 HydrophobicContact CD2-CB 3.92Å; L66-F69 HydrophobicContact CD2-CD2 4.13Å; L66-V92 HydrophobicContact CD2-CG2 4.29Å; L66-V92 VanDerWaalsContact O-CG2 3.31Å; L66-V92 WeakPolarHBondContact O-CG2 3.49Å; L66-H295 HydrophobicContact CB-CB 3.87Å; L66-H295 HydrophobicContact CD1-CB 3.99Å; L66-Q299 PolarHBondContact O-NE2 3.48Å |
| 67 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -9.3 | -173.7 | 59 | 16.2 | 0 | 0 | 0 | 115.4 | E30 L65 Y91 V92 I113 L116 F121 F123 V126 F127 | E30-F67 HydrophobicContact CB-CD1 4.31Å; E30-F67 HydrophobicContact CB-CE1 3.99Å; E30-F67 WeakPolarHBondContact O-CD1 3.37Å; E30-F67 PolarHBondContact O-N 2.63Å; L65-F67 HydrophobicContact CD2-CB 4.15Å; L65-F67 HydrophobicContact CG-CB 4.41Å; L65-F67 PolarHBondContact O-N 2.93Å; F67-Y91 CarbonylContact O-C 3.58Å; F67-Y91 WeakPolarHBondContact O-CA 3.49Å; F67-V92 PolarHBondContact O-N 3.46Å; F67-I113 HydrophobicContact CE2-CD1 4.21Å; F67-I113 HydrophobicContact CZ-CD1 4.29Å; F67-L116 HydrophobicContact CE1-CD1 3.66Å; F67-L116 HydrophobicContact CZ-CD1 3.55Å; F67-F121 AromaticContact CD1-CZ 3.87Å; F67-F121 HydrophobicContact CD1-CZ 3.87Å; F67-F121 HydrophobicContact CE1-CE1 4.17Å; F67-F121 HydrophobicContact CE1-CE2 4.25Å; F67-F121 AromaticContact CE1-CZ 3.7Å; F67-F121 HydrophobicContact CE1-CZ 3.7Å; F67-F121 HydrophobicContact CZ-CE1 4.37Å; F67-F121 HydrophobicContact CZ-CZ 4.35Å; F67-F123 HydrophobicContact CE2-CE1 4.37Å; F67-F123 HydrophobicContact CZ-CE1 4.13Å; F67-V126 HydrophobicContact CB-CG1 3.7Å; F67-V126 HydrophobicContact CB-CG2 3.98Å; F67-V126 HydrophobicContact CD1-CG2 4.41Å; F67-V126 HydrophobicContact CD2-CG1 4Å; F67-V126 HydrophobicContact CD2-CG2 4.32Å; F67-V126 HydrophobicContact CG-CG1 4.13Å; F67-V126 HydrophobicContact CG-CG2 4Å; F67-F127 HydrophobicContact CD2-CZ 4.45Å; F67-F127 HydrophobicContact CE2-CZ 4.37Å |
| 68 | Q | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 122.6 | 164.7 | -169.1 | -166.6 | 42 | 0 | 0 | 107.2 | G29 E30 L66 N89 F90 Y91 F121 A379 | G29-Q68 WeakPolarHBondContact CA-O 3.43Å; E30-Q68 HydrophobicContact CB-CB 4.1Å; E30-Q68 HydrophobicContact CG-CB 4.49Å; E30-Q68 PolarHBondContact N-O 3.48Å; L66-Q68 WeakPolarHBondContact CD2-O 3.36Å; Q68-N89 HydrophobicContact CG-CB 4.31Å; Q68-F90 CarbonylContact C-O 3.53Å; Q68-F90 VanDerWaalsContact CA-O 3.31Å; Q68-F90 WeakPolarHBondContact CA-O 3.34Å; Q68-Y91 HydrophobicContact CB-CD1 4.3Å; Q68-Y91 HydrophobicContact CB-CE1 4.33Å; Q68-Y91 HydrophobicContact CG-CD1 4.14Å; Q68-Y91 HydrophobicContact CG-CE1 3.91Å; Q68-Y91 VanDerWaalsContact NE2-CZ 3.29Å; Q68-Y91 PolarHBondContact NE2-OH 3.43Å; Q68-F121 HydrophobicContact CB-CE2 3.82Å; Q68-F121 HydrophobicContact CB-CZ 4.07Å; Q68-F121 HydrophobicContact CG-CE2 4.29Å; Q68-A379 HydrophobicContact CG-CB 4.26Å; Q68-A379 VanDerWaalsContact OE1-N 3.15Å |
| 69 | F | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.6 | 174.7 | -169.5 | -79 | 0 | 0 | 0 | 109.1 | I27 L66 L71 F90 F270 I274 I277 T296 | I27-F69 HydrophobicContact CB-CE1 4.11Å; I27-F69 HydrophobicContact CB-CZ 3.93Å; I27-F69 HydrophobicContact CD1-CZ 4.05Å; I27-F69 HydrophobicContact CG2-CE1 3.74Å; I27-F69 HydrophobicContact CG2-CZ 3.76Å; L66-F69 HydrophobicContact CD1-CD2 4.08Å; L66-F69 HydrophobicContact CD2-CB 3.92Å; L66-F69 HydrophobicContact CD2-CD2 4.13Å; F69-L71 HydrophobicContact CD1-CB 4.42Å; F69-L71 HydrophobicContact CE1-CB 4.27Å; F69-F90 HydrophobicContact CB-CB 4.32Å; F69-F90 HydrophobicContact CD1-CD2 4.46Å; F69-F90 PolarHBondContact N-O 2.88Å; F69-F90 PolarHBondContact O-N 3.5Å; F69-F270 HydrophobicContact CB-CE1 4.04Å; F69-F270 HydrophobicContact CB-CE2 4.49Å; F69-F270 HydrophobicContact CB-CZ 3.66Å; F69-F270 AromaticContact CD1-CZ 3.75Å; F69-F270 HydrophobicContact CD1-CZ 3.75Å; F69-F270 HydrophobicContact CD2-CE1 4.15Å; F69-F270 HydrophobicContact CD2-CZ 4.1Å; F69-F270 HydrophobicContact CE1-CZ 4.42Å; F69-F270 HydrophobicContact CG-CE1 4.02Å; F69-F270 AromaticContact CG-CZ 3.57Å; F69-F270 HydrophobicContact CG-CZ 3.57Å; F69-I274 HydrophobicContact CD2-CD1 4.45Å; F69-I274 HydrophobicContact CE1-CD1 4.47Å; F69-I274 HydrophobicContact CE2-CD1 3.9Å; F69-I274 HydrophobicContact CZ-CD1 3.91Å; F69-I277 HydrophobicContact CE1-CD1 4.46Å; F69-T296 HydrophobicContact CE2-CG2 4.14Å |
| 70 | G | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I27 D28 A379 | I27-G70 VanDerWaalsContact CA-O 3.29Å; I27-G70 WeakPolarHBondContact CA-O 3.34Å; D28-G70 PolarHBondContact N-O 3.16Å; D28-G70 WeakPolarHBondContact O-CA 3.34Å; D28-G70 PolarHBondContact O-N 3.49Å; G70-A379 VanDerWaalsContact N-CB 3.32Å |
| 71 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.5 | 171.2 | 175.6 | 65.4 | 0 | 0 | 0 | 109 | I19 F25 I27 F69 T73 S87 F88 F90 V273 I277 | I19-L71 HydrophobicContact CD1-CD2 4.41Å; I19-L71 HydrophobicContact CG1-CD2 4.4Å; F25-L71 HydrophobicContact CB-CD1 3.93Å; F25-L71 HydrophobicContact CD1-CD1 4.48Å; F25-L71 HydrophobicContact CG-CD1 4.25Å; I27-L71 HydrophobicContact CG2-CD1 3.83Å; F69-L71 HydrophobicContact CD1-CB 4.42Å; F69-L71 HydrophobicContact CE1-CB 4.27Å; L71-T73 HydrophobicContact CD2-CG2 4.43Å; L71-T73 HydrophobicContact CG-CG2 4.26Å; L71-S87 CarbonylContact O-C 3.06Å; L71-S87 WeakPolarHBondContact O-CA 3.41Å; L71-F88 HydrophobicContact CB-CB 4.44Å; L71-F88 HydrophobicContact CD2-CD2 4.32Å; L71-F88 HydrophobicContact CG-CD2 4.44Å; L71-F88 PolarHBondContact N-O 3.25Å; L71-F88 PolarHBondContact O-N 3.28Å; L71-F90 HydrophobicContact CB-CE2 4.02Å; L71-F90 HydrophobicContact CD2-CE2 4.12Å; L71-V273 HydrophobicContact CD2-CG1 4.46Å; L71-I277 HydrophobicContact CD1-CD1 4.12Å; L71-I277 HydrophobicContact CD2-CD1 4.36Å |
| 72 | C | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.7 | 168.9 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | F25 A26 F74 A383 | F25-C72 CarbonylContact C-O 3.57Å; F25-C72 WeakPolarHBondContact CA-O 3.43Å; A26-C72 PolarHBondContact N-O 2.94Å; A26-C72 PolarHBondContact O-N 2.85Å; C72-F74 HydrophobicContact CB-CE2 3.83Å; C72-F74 HydrophobicContact CB-CZ 4.42Å; C72-F74 WeakPolarHBondContact O-CD2 3.49Å; C72-A383 HydrophobicContact CB-CB 4.17Å |
| 73 | T | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.1 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | A18 F25 L71 T85 K86 F88 | A18-T73 HydrophobicContact CB-CG2 3.97Å; F25-T73 HydrophobicContact CD1-CG2 3.72Å; F25-T73 HydrophobicContact CE1-CG2 3.99Å; L71-T73 HydrophobicContact CD2-CG2 4.43Å; L71-T73 HydrophobicContact CG-CG2 4.26Å; T73-T85 VanDerWaalsContact O-CA 3.26Å; T73-T85 WeakPolarHBondContact O-CA 3.2Å; T73-K86 PolarHBondContact N-O 3.11Å; T73-K86 PolarHBondContact O-N 3.02Å; T73-K86 WeakPolarHBondContact OG1-CB 3.44Å; T73-K86 PolarHBondContact OG1-O 3.2Å; T73-F88 HydrophobicContact CG2-CE2 4.43Å |
| 74 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.7 | -177.7 | -70.2 | -98 | 0 | 0 | 0 | 110.8 | A22 D23 F24 A26 C72 Y83 T85 Y384 L388 I391 | A22-F74 WeakPolarHBondContact CB-O 3.45Å; D23-F74 PolarHBondContact N-O 3.25Å; F24-F74 HydrophobicContact CD1-CB 4.06Å; F24-F74 HydrophobicContact CD2-CB 4.12Å; F24-F74 HydrophobicContact CD2-CD2 4.13Å; F24-F74 HydrophobicContact CD2-CG 4.35Å; F24-F74 HydrophobicContact CE1-CB 3.61Å; F24-F74 HydrophobicContact CE1-CG 4.26Å; F24-F74 HydrophobicContact CE2-CB 3.65Å; F24-F74 HydrophobicContact CE2-CD1 4.3Å; F24-F74 AromaticContact CE2-CD2 3.51Å; F24-F74 HydrophobicContact CE2-CD2 3.51Å; F24-F74 HydrophobicContact CE2-CE2 4.25Å; F24-F74 AromaticContact CE2-CG 3.56Å; F24-F74 HydrophobicContact CE2-CG 3.56Å; F24-F74 HydrophobicContact CG-CB 4.31Å; F24-F74 HydrophobicContact CZ-CB 3.37Å; F24-F74 AromaticContact CZ-CD1 3.97Å; F24-F74 HydrophobicContact CZ-CD1 3.97Å; F24-F74 AromaticContact CZ-CD2 3.98Å; F24-F74 HydrophobicContact CZ-CD2 3.98Å; F24-F74 AromaticContact CZ-CG 3.51Å; F24-F74 HydrophobicContact CZ-CG 3.51Å; F24-F74 PolarHBondContact N-O 2.87Å; F24-F74 PolarHBondContact O-N 3.13Å; A26-F74 HydrophobicContact CB-CE2 4.04Å; C72-F74 HydrophobicContact CB-CE2 3.83Å; C72-F74 HydrophobicContact CB-CZ 4.42Å; C72-F74 WeakPolarHBondContact O-CD2 3.49Å; F74-Y83 HydrophobicContact CB-CD1 4.18Å; F74-Y83 HydrophobicContact CD1-CD1 4.46Å; F74-T85 HydrophobicContact CD1-CG2 3.44Å; F74-T85 VanDerWaalsContact CD1-CG2 3.44Å; F74-T85 HydrophobicContact CE1-CG2 3.38Å; F74-T85 HydrophobicContact CG-CG2 4.17Å; F74-T85 HydrophobicContact CZ-CG2 4.07Å; F74-Y384 HydrophobicContact CE1-CD2 4.42Å; F74-Y384 HydrophobicContact CZ-CD2 4.07Å; F74-L388 HydrophobicContact CE1-CD2 4.13Å; F74-I391 HydrophobicContact CD1-CD1 3.72Å; F74-I391 HydrophobicContact CE1-CD1 3.92Å |
| 75 | K | 98.6 | Very high | 97.9 | Very high | 80 Ų | 80 | 31.9 Ų | 31.9 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.2 | 175.7 | -174.2 | -175.8 | -165.7 | -178.5 | 0 | 109.4 | E21 Y83 I84 | E21-K75 HydrophobicContact CB-CD 4.38Å; E21-K75 HydrophobicContact CG-CD 4.07Å; E21-K75 WeakPolarHBondContact O-CE 3.33Å; E21-K75 WeakPolarHBondContact O-CG 3.37Å; E21-K75 IonicContact OE2-NZ 3.31Å; E21-K75 PolarHBondContact OE2-NZ 3Å; K75-Y83 WeakPolarHBondContact O-CA 3.18Å; K75-I84 PolarHBondContact N-O 3.23Å; K75-I84 PolarHBondContact O-N 3.49Å |
| 76 | Y | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.8 | 176.2 | -165.3 | -113.5 | 0 | 0 | 0 | 111.3 | D23 Y78 S81 K82 Y83 H407 | D23-Y76 PolarHBondContact OD2-N 2.89Å; Y76-Y78 AromaticContact CD1-CD1 3.81Å; Y76-Y78 HydrophobicContact CD1-CD1 3.81Å; Y76-Y78 HydrophobicContact CD1-CD2 4.01Å; Y76-Y78 AromaticContact CD1-CE1 3.75Å; Y76-Y78 HydrophobicContact CD1-CE1 3.75Å; Y76-Y78 AromaticContact CD1-CE2 3.94Å; Y76-Y78 HydrophobicContact CD1-CE2 3.94Å; Y76-Y78 AromaticContact CD1-CG 3.93Å; Y76-Y78 HydrophobicContact CD1-CG 3.93Å; Y76-Y78 AromaticContact CD1-CZ 3.81Å; Y76-Y78 AromaticContact CE1-CD1 3.89Å; Y76-Y78 HydrophobicContact CE1-CD1 3.89Å; Y76-Y78 HydrophobicContact CE1-CE1 4.1Å; Y76-Y78 HydrophobicContact CE1-CG 4.24Å; Y76-S81 VanDerWaalsContact OH-CA 3.29Å; Y76-S81 WeakPolarHBondContact OH-CA 3.43Å; Y76-S81 WeakPolarHBondContact OH-CB 3.43Å; Y76-S81 PolarHBondContact OH-O 3.34Å; Y76-K82 WeakPolarHBondContact CD2-O 3.41Å; Y76-Y83 AromaticContact CD2-CD1 3.99Å; Y76-Y83 HydrophobicContact CD2-CD1 3.99Å; Y76-Y83 AromaticContact CD2-CD2 3.66Å; Y76-Y83 HydrophobicContact CD2-CD2 3.66Å; Y76-Y83 AromaticContact CD2-CE1 3.82Å; Y76-Y83 HydrophobicContact CD2-CE1 3.82Å; Y76-Y83 AromaticContact CD2-CE2 3.48Å; Y76-Y83 HydrophobicContact CD2-CE2 3.48Å; Y76-Y83 VanDerWaalsContact CD2-CE2 3.48Å; Y76-Y83 AromaticContact CD2-CG 3.93Å; Y76-Y83 HydrophobicContact CD2-CG 3.93Å; Y76-Y83 AromaticContact CD2-CZ 3.59Å; Y76-Y83 HydrophobicContact CE2-CD2 4.08Å; Y76-Y83 AromaticContact CE2-CE2 3.91Å; Y76-Y83 HydrophobicContact CE2-CE2 3.91Å; Y76-Y83 HydrophobicContact CG-CE1 4.19Å; Y76-Y83 HydrophobicContact CG-CE2 4.47Å; Y76-H407 AromaticContact CD1-CE1 3.49Å; Y76-H407 VanDerWaalsContact CD1-CE1 3.49Å; Y76-H407 WeakPolarHBondContact CD1-CE1 3.49Å; Y76-H407 AromaticContact CD1-NE2 3.45Å; Y76-H407 WeakPolarHBondContact CD1-NE2 3.41Å; Y76-H407 AromaticContact CD2-CD2 3.71Å; Y76-H407 AromaticContact CD2-NE2 3.34Å; Y76-H407 VanDerWaalsContact CD2-NE2 3.34Å; Y76-H407 WeakPolarHBondContact CD2-NE2 3.21Å; Y76-H407 AromaticContact CE1-CD2 3.7Å; Y76-H407 AromaticContact CE1-CE1 3.64Å; Y76-H407 AromaticContact CE1-CG 3.81Å; Y76-H407 AromaticContact CE1-ND1 3.83Å; Y76-H407 AromaticContact CE1-NE2 3.58Å; Y76-H407 AromaticContact CE2-CD2 3.34Å; Y76-H407 WeakPolarHBondContact CE2-CD2 3.41Å; Y76-H407 AromaticContact CE2-NE2 3.5Å; Y76-H407 WeakPolarHBondContact CE2-NE2 3.27Å; Y76-H407 AromaticContact CG-CE1 3.77Å; Y76-H407 AromaticContact CG-NE2 3.31Å; Y76-H407 VanDerWaalsContact CG-NE2 3.31Å; Y76-H407 AromaticContact CZ-CD2 3.31Å; Y76-H407 AromaticContact CZ-CG 3.68Å; Y76-H407 AromaticContact CZ-NE2 3.6Å |
| 77 | D | 97.5 | Very high | 97.8 | Very high | 37 Ų | 37 | 33 Ų | 33 | 20% | 0.198 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.4 | 166 | 176.7 | 23.7 | 0 | 0 | 0 | 109.7 | T79 D80 S81 K82 I84 | D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 VanDerWaalsContact OD1-CB 3.23Å; D77-T79 WeakPolarHBondContact OD1-CB 3.33Å; D77-T79 PolarHBondContact OD1-N 3.03Å; D77-T79 PolarHBondContact OD1-OG1 3.06Å; D77-D80 WeakPolarHBondContact OD2-CB 3.46Å; D77-D80 PolarHBondContact OD2-N 2.96Å; D77-S81 VanDerWaalsContact O-CA 3.22Å; D77-S81 WeakPolarHBondContact O-CA 3.43Å; D77-S81 PolarHBondContact O-N 2.9Å; D77-K82 HydrophobicContact CB-CG 4.36Å; D77-K82 PolarHBondContact N-O 3.4Å; D77-K82 PolarHBondContact O-N 2.95Å; D77-I84 HydrophobicContact CB-CD1 4.15Å; D77-I84 HydrophobicContact CB-CG1 4.5Å |
| 78 | Y | 95.6 | Very high | 97.8 | Very high | 139 Ų | 139 | 33 Ų | 33 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.7 | 177.4 | -66.4 | -92.7 | 0 | 0 | 0 | 112.9 | Y76 | Y76-Y78 AromaticContact CD1-CD1 3.81Å; Y76-Y78 HydrophobicContact CD1-CD1 3.81Å; Y76-Y78 HydrophobicContact CD1-CD2 4.01Å; Y76-Y78 AromaticContact CD1-CE1 3.75Å; Y76-Y78 HydrophobicContact CD1-CE1 3.75Å; Y76-Y78 AromaticContact CD1-CE2 3.94Å; Y76-Y78 HydrophobicContact CD1-CE2 3.94Å; Y76-Y78 AromaticContact CD1-CG 3.93Å; Y76-Y78 HydrophobicContact CD1-CG 3.93Å; Y76-Y78 AromaticContact CD1-CZ 3.81Å; Y76-Y78 AromaticContact CE1-CD1 3.89Å; Y76-Y78 HydrophobicContact CE1-CD1 3.89Å; Y76-Y78 HydrophobicContact CE1-CE1 4.1Å; Y76-Y78 HydrophobicContact CE1-CG 4.24Å |
| 79 | T | 96.3 | Very high | 97.8 | Very high | 119 Ų | 119 | 33 Ų | 33 | 73% | 0.73 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -59 | -179.9 | -36.1 | 0 | 0 | 0 | 0 | 110.2 | D77 S81 | D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 VanDerWaalsContact OD1-CB 3.23Å; D77-T79 WeakPolarHBondContact OD1-CB 3.33Å; D77-T79 PolarHBondContact OD1-N 3.03Å; D77-T79 PolarHBondContact OD1-OG1 3.06Å; T79-S81 VanDerWaalsContact C-N 3.33Å |
| 80 | D | 95.2 | Very high | 97.8 | Very high | 89 Ų | 89 | 33 Ų | 33 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.1 | 178.9 | -73.2 | -5.6 | 0 | 0 | 0 | 113.3 | D77 K82 | D77-D80 WeakPolarHBondContact OD2-CB 3.46Å; D77-D80 PolarHBondContact OD2-N 2.96Å; D80-K82 HydrophobicContact CB-CD 3.63Å; D80-K82 HydrophobicContact CB-CG 3.85Å; D80-K82 PolarHBondContact O-N 3.3Å; D80-K82 VanDerWaalsContact OD2-CE 3.23Å; D80-K82 WeakPolarHBondContact OD2-CE 3.39Å; D80-K82 IonicContact OD2-NZ 2.71Å; D80-K82 PolarHBondContact OD2-NZ 3.24Å |
| 81 | S | 96.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 44% | 0.441 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 43.8 | -176 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | Y76 D77 T79 | Y76-S81 VanDerWaalsContact OH-CA 3.29Å; Y76-S81 WeakPolarHBondContact OH-CA 3.43Å; Y76-S81 WeakPolarHBondContact OH-CB 3.43Å; Y76-S81 PolarHBondContact OH-O 3.34Å; D77-S81 VanDerWaalsContact O-CA 3.22Å; D77-S81 WeakPolarHBondContact O-CA 3.43Å; D77-S81 PolarHBondContact O-N 2.9Å; T79-S81 VanDerWaalsContact C-N 3.33Å |
| 82 | K | 96.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 16% | 0.161 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 160 | -176.1 | 71.2 | -172 | 178.6 | -170.1 | 0 | 111.7 | Y76 D77 D80 K359 E361 | Y76-K82 WeakPolarHBondContact CD2-O 3.41Å; D77-K82 HydrophobicContact CB-CG 4.36Å; D77-K82 PolarHBondContact N-O 3.4Å; D77-K82 PolarHBondContact O-N 2.95Å; D80-K82 HydrophobicContact CB-CD 3.63Å; D80-K82 HydrophobicContact CB-CG 3.85Å; D80-K82 PolarHBondContact O-N 3.3Å; D80-K82 VanDerWaalsContact OD2-CE 3.23Å; D80-K82 WeakPolarHBondContact OD2-CE 3.39Å; D80-K82 IonicContact OD2-NZ 2.71Å; D80-K82 PolarHBondContact OD2-NZ 3.24Å; K82-K359 WeakPolarHBondContact CA-O 3.47Å; K82-K359 HydrophobicContact CB-CB 3.94Å; K82-E361 WeakPolarHBondContact CD-OE2 3.01Å; K82-E361 WeakPolarHBondContact CE-OE2 3.47Å; K82-E361 IonicContact NZ-OE2 2.75Å; K82-E361 PolarHBondContact NZ-OE2 3Å |
| 83 | Y | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135 | 167.8 | -80 | -81.8 | 0 | 0 | 0 | 111.2 | F24 F74 K75 Y76 K359 V360 E361 I391 H407 | F24-Y83 HydrophobicContact CE1-CD1 4.43Å; F24-Y83 AromaticContact CE1-CE1 3.72Å; F24-Y83 HydrophobicContact CE1-CE1 3.72Å; F24-Y83 HydrophobicContact CZ-CE1 4.39Å; F74-Y83 HydrophobicContact CB-CD1 4.18Å; F74-Y83 HydrophobicContact CD1-CD1 4.46Å; K75-Y83 WeakPolarHBondContact O-CA 3.18Å; Y76-Y83 AromaticContact CD2-CD1 3.99Å; Y76-Y83 HydrophobicContact CD2-CD1 3.99Å; Y76-Y83 AromaticContact CD2-CD2 3.66Å; Y76-Y83 HydrophobicContact CD2-CD2 3.66Å; Y76-Y83 AromaticContact CD2-CE1 3.82Å; Y76-Y83 HydrophobicContact CD2-CE1 3.82Å; Y76-Y83 AromaticContact CD2-CE2 3.48Å; Y76-Y83 HydrophobicContact CD2-CE2 3.48Å; Y76-Y83 VanDerWaalsContact CD2-CE2 3.48Å; Y76-Y83 AromaticContact CD2-CG 3.93Å; Y76-Y83 HydrophobicContact CD2-CG 3.93Å; Y76-Y83 AromaticContact CD2-CZ 3.59Å; Y76-Y83 HydrophobicContact CE2-CD2 4.08Å; Y76-Y83 AromaticContact CE2-CE2 3.91Å; Y76-Y83 HydrophobicContact CE2-CE2 3.91Å; Y76-Y83 HydrophobicContact CG-CE1 4.19Å; Y76-Y83 HydrophobicContact CG-CE2 4.47Å; Y83-K359 PolarHBondContact N-O 3.41Å; Y83-V360 CarbonylContact O-C 3.45Å; Y83-V360 VanDerWaalsContact O-CA 3.31Å; Y83-V360 WeakPolarHBondContact O-CA 3.31Å; Y83-E361 PolarHBondContact O-N 3.14Å; Y83-I391 HydrophobicContact CD1-CD1 4.22Å; Y83-I391 HydrophobicContact CD2-CD1 3.61Å; Y83-I391 HydrophobicContact CD2-CG1 4.2Å; Y83-I391 HydrophobicContact CD2-CG2 3.96Å; Y83-I391 HydrophobicContact CE1-CD1 4.38Å; Y83-I391 HydrophobicContact CE2-CB 4.32Å; Y83-I391 HydrophobicContact CE2-CD1 3.8Å; Y83-I391 HydrophobicContact CE2-CG1 3.84Å; Y83-I391 HydrophobicContact CE2-CG2 3.43Å; Y83-I391 VanDerWaalsContact CE2-CG2 3.43Å; Y83-I391 HydrophobicContact CG-CD1 3.82Å; Y83-H407 AromaticContact CE2-NE2 3.95Å; Y83-H407 AromaticContact CZ-NE2 3.62Å; Y83-H407 PolarHBondContact OH-NE2 3.29Å |
| 84 | I | 98.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130 | 170 | -56.9 | 174.8 | 0 | 0 | 0 | 107.8 | K75 D77 E361 A363 | K75-I84 PolarHBondContact N-O 3.23Å; K75-I84 PolarHBondContact O-N 3.49Å; D77-I84 HydrophobicContact CB-CD1 4.15Å; D77-I84 HydrophobicContact CB-CG1 4.5Å; I84-E361 CarbonylContact C-O 3.55Å; I84-E361 WeakPolarHBondContact CA-O 3.33Å; I84-A363 HydrophobicContact CG2-CB 3.77Å |
| 85 | T | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.3 | -176.5 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | T73 F74 V360 E361 A363 Y384 | T73-T85 VanDerWaalsContact O-CA 3.26Å; T73-T85 WeakPolarHBondContact O-CA 3.2Å; F74-T85 HydrophobicContact CD1-CG2 3.44Å; F74-T85 VanDerWaalsContact CD1-CG2 3.44Å; F74-T85 HydrophobicContact CE1-CG2 3.38Å; F74-T85 HydrophobicContact CG-CG2 4.17Å; F74-T85 HydrophobicContact CZ-CG2 4.07Å; T85-V360 HydrophobicContact CG2-CG2 3.49Å; T85-V360 VanDerWaalsContact CG2-CG2 3.49Å; T85-E361 PolarHBondContact N-O 2.98Å; T85-E361 PolarHBondContact OG1-O 3.45Å; T85-A363 PolarHBondContact O-N 3.26Å; T85-Y384 HydrophobicContact CG2-CD2 4.34Å; T85-Y384 HydrophobicContact CG2-CE2 4.16Å |
| 86 | K | 98.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 10% | 0.104 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 115 | 168.9 | -60.6 | 172.3 | 174.3 | 176.4 | 0 | 109 | A18 E21 T73 F88 A363 F366 | A18-K86 HydrophobicContact CB-CB 4.44Å; A18-K86 HydrophobicContact CB-CD 3.77Å; E21-K86 IonicContact OE1-NZ 2.69Å; E21-K86 PolarHBondContact OE1-NZ 3.16Å; T73-K86 PolarHBondContact N-O 3.11Å; T73-K86 PolarHBondContact O-N 3.02Å; T73-K86 WeakPolarHBondContact OG1-CB 3.44Å; T73-K86 PolarHBondContact OG1-O 3.2Å; K86-F88 HydrophobicContact CB-CE2 4.04Å; K86-F88 HydrophobicContact CB-CZ 4.39Å; K86-A363 HydrophobicContact CD-CB 4.17Å; K86-A363 HydrophobicContact CG-CB 3.62Å; K86-F366 HydrophobicContact CB-CD1 3.64Å; K86-F366 HydrophobicContact CB-CE1 3.61Å; K86-F366 HydrophobicContact CB-CG 4.18Å; K86-F366 HydrophobicContact CB-CZ 4.13Å; K86-F366 HydrophobicContact CD-CD1 4.5Å; K86-F366 HydrophobicContact CD-CD2 4.19Å; K86-F366 HydrophobicContact CD-CE1 4.08Å; K86-F366 HydrophobicContact CD-CE2 3.74Å; K86-F366 HydrophobicContact CD-CZ 3.68Å; K86-F366 HydrophobicContact CG-CD1 3.84Å; K86-F366 HydrophobicContact CG-CD2 3.94Å; K86-F366 HydrophobicContact CG-CE1 3.87Å; K86-F366 HydrophobicContact CG-CE2 3.98Å; K86-F366 HydrophobicContact CG-CG 3.88Å; K86-F366 HydrophobicContact CG-CZ 3.94Å |
| 87 | S | 97.2 | Very high | 97 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.9 | 179.3 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | M1 L71 Y369 | M1-S87 PolarHBondContact N-O 3.33Å; L71-S87 CarbonylContact O-C 3.06Å; L71-S87 WeakPolarHBondContact O-CA 3.41Å; S87-Y369 VanDerWaalsContact OG-CE2 3.29Å; S87-Y369 WeakPolarHBondContact OG-CE2 3.45Å |
| 88 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 136.7 | 179.4 | -54.8 | -92.8 | 0 | 0 | 0 | 110.3 | M1 I3 V15 A18 L71 T73 K86 F90 F366 | M1-F88 HydrophobicContact CB-CD1 4.03Å; M1-F88 CarbonylContact O-C 3.58Å; M1-F88 WeakPolarHBondContact O-CA 3.34Å; M1-F88 HydrophobicContact SD-CD1 4.33Å; M1-F88 HydrophobicContact SD-CE1 3.95Å; I3-F88 HydrophobicContact CD1-CD1 4.23Å; I3-F88 HydrophobicContact CG1-CB 4.48Å; I3-F88 HydrophobicContact CG1-CD1 4.11Å; V15-F88 HydrophobicContact CG2-CD1 3.99Å; V15-F88 HydrophobicContact CG2-CE1 3.71Å; V15-F88 HydrophobicContact CG2-CZ 4.16Å; A18-F88 HydrophobicContact CB-CE2 4Å; A18-F88 HydrophobicContact CB-CZ 4.07Å; L71-F88 HydrophobicContact CB-CB 4.44Å; L71-F88 HydrophobicContact CD2-CD2 4.32Å; L71-F88 HydrophobicContact CG-CD2 4.44Å; L71-F88 PolarHBondContact N-O 3.25Å; L71-F88 PolarHBondContact O-N 3.28Å; T73-F88 HydrophobicContact CG2-CE2 4.43Å; K86-F88 HydrophobicContact CB-CE2 4.04Å; K86-F88 HydrophobicContact CB-CZ 4.39Å; F88-F90 HydrophobicContact CB-CD2 4.04Å; F88-F90 HydrophobicContact CB-CE2 3.4Å; F88-F90 VanDerWaalsContact CB-CE2 3.4Å; F88-F90 HydrophobicContact CB-CZ 3.76Å; F88-F90 HydrophobicContact CD1-CZ 4.28Å; F88-F90 HydrophobicContact CG-CE2 4.1Å; F88-F90 HydrophobicContact CG-CZ 4.06Å; F88-F366 AromaticContact CE1-CE1 3.74Å; F88-F366 HydrophobicContact CE1-CE1 3.74Å; F88-F366 HydrophobicContact CE1-CZ 4.33Å; F88-F366 HydrophobicContact CE2-CE1 4.27Å; F88-F366 AromaticContact CZ-CE1 3.53Å; F88-F366 HydrophobicContact CZ-CE1 3.53Å; F88-F366 HydrophobicContact CZ-CZ 4.02Å |
| 89 | N | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.1 | 164.7 | -67.3 | -54.6 | 0 | 0 | 0 | 107.7 | M1 E2 I3 Q68 Y91 E378 G380 | M1-N89 PolarHBondContact O-N 2.87Å; E2-N89 WeakPolarHBondContact OE1-CB 3.4Å; E2-N89 PolarHBondContact OE1-ND2 3.48Å; I3-N89 WeakPolarHBondContact CA-O 3.45Å; I3-N89 WeakPolarHBondContact CB-O 3.5Å; I3-N89 PolarHBondContact N-O 2.7Å; Q68-N89 HydrophobicContact CG-CB 4.31Å; N89-Y91 HydrophobicContact CB-CE2 4.06Å; N89-E378 VanDerWaalsContact ND2-CD 3.28Å; N89-E378 PolarHBondContact ND2-OE1 3.05Å; N89-G380 WeakPolarHBondContact OD1-CA 3.37Å; N89-G380 PolarHBondContact OD1-N 2.94Å |
| 90 | F | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.6 | 174.8 | -61.4 | -89.2 | 0 | 0 | 0 | 109.6 | I3 F8 V15 Q68 F69 L71 F88 V92 I131 F270 V273 | I3-F90 HydrophobicContact CB-CD1 3.65Å; I3-F90 HydrophobicContact CB-CE1 3.97Å; I3-F90 HydrophobicContact CB-CG 4.35Å; I3-F90 HydrophobicContact CG1-CD1 4.07Å; I3-F90 HydrophobicContact CG1-CE1 3.93Å; I3-F90 HydrophobicContact CG1-CZ 4.47Å; I3-F90 HydrophobicContact CG2-CD1 3.69Å; I3-F90 HydrophobicContact CG2-CE1 3.85Å; F8-F90 HydrophobicContact CD2-CD1 4.31Å; F8-F90 HydrophobicContact CD2-CE1 4.39Å; F8-F90 HydrophobicContact CE2-CD1 4.31Å; F8-F90 HydrophobicContact CE2-CE1 4.26Å; V15-F90 HydrophobicContact CB-CZ 4.43Å; V15-F90 HydrophobicContact CG1-CE1 4.48Å; V15-F90 HydrophobicContact CG1-CZ 3.79Å; V15-F90 HydrophobicContact CG2-CE1 3.94Å; V15-F90 HydrophobicContact CG2-CZ 3.7Å; Q68-F90 CarbonylContact C-O 3.53Å; Q68-F90 VanDerWaalsContact CA-O 3.31Å; Q68-F90 WeakPolarHBondContact CA-O 3.34Å; F69-F90 HydrophobicContact CB-CB 4.32Å; F69-F90 HydrophobicContact CD1-CD2 4.46Å; F69-F90 PolarHBondContact N-O 2.88Å; F69-F90 PolarHBondContact O-N 3.5Å; L71-F90 HydrophobicContact CB-CE2 4.02Å; L71-F90 HydrophobicContact CD2-CE2 4.12Å; F88-F90 HydrophobicContact CB-CD2 4.04Å; F88-F90 HydrophobicContact CB-CE2 3.4Å; F88-F90 VanDerWaalsContact CB-CE2 3.4Å; F88-F90 HydrophobicContact CB-CZ 3.76Å; F88-F90 HydrophobicContact CD1-CZ 4.28Å; F88-F90 HydrophobicContact CG-CE2 4.1Å; F88-F90 HydrophobicContact CG-CZ 4.06Å; F90-V92 HydrophobicContact CB-CG1 4.32Å; F90-I131 HydrophobicContact CB-CD1 4.12Å; F90-I131 HydrophobicContact CD1-CD1 4.04Å; F90-F270 HydrophobicContact CB-CD2 3.83Å; F90-F270 HydrophobicContact CB-CE2 3.47Å; F90-F270 VanDerWaalsContact CB-CE2 3.47Å; F90-F270 HydrophobicContact CB-CZ 4.16Å; F90-F270 AromaticContact CD1-CD2 3.91Å; F90-F270 HydrophobicContact CD1-CD2 3.91Å; F90-F270 AromaticContact CD1-CE2 3.74Å; F90-F270 HydrophobicContact CD1-CE2 3.74Å; F90-F270 AromaticContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CZ 4.31Å; F90-F270 HydrophobicContact CE1-CE2 4.35Å; F90-F270 HydrophobicContact CE2-CE2 4.26Å; F90-F270 AromaticContact CG-CD2 3.89Å; F90-F270 HydrophobicContact CG-CD2 3.89Å; F90-F270 AromaticContact CG-CE2 3.35Å; F90-F270 HydrophobicContact CG-CE2 3.35Å; F90-F270 HydrophobicContact CG-CZ 4.28Å; F90-V273 HydrophobicContact CE1-CG2 4.21Å; F90-V273 HydrophobicContact CE2-CG1 4.4Å; F90-V273 HydrophobicContact CZ-CG1 4.26Å; F90-V273 HydrophobicContact CZ-CG2 4.42Å |
| 91 | Y | 98.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.4 | 173.8 | -64.6 | -89.3 | 0 | 0 | 0 | 109.5 | E2 I3 I4 F67 Q68 N89 F121 K125 V126 G130 I131 | E2-Y91 VanDerWaalsContact OE2-CE2 3.31Å; E2-Y91 WeakPolarHBondContact OE2-CE2 3.43Å; E2-Y91 PolarHBondContact OE2-OH 3.37Å; I3-Y91 PolarHBondContact O-N 3.3Å; I4-Y91 HydrophobicContact CG2-CD2 3.79Å; I4-Y91 HydrophobicContact CG2-CG 4.26Å; F67-Y91 CarbonylContact O-C 3.58Å; F67-Y91 WeakPolarHBondContact O-CA 3.49Å; Q68-Y91 HydrophobicContact CB-CD1 4.3Å; Q68-Y91 HydrophobicContact CB-CE1 4.33Å; Q68-Y91 HydrophobicContact CG-CD1 4.14Å; Q68-Y91 HydrophobicContact CG-CE1 3.91Å; Q68-Y91 VanDerWaalsContact NE2-CZ 3.29Å; Q68-Y91 PolarHBondContact NE2-OH 3.43Å; N89-Y91 HydrophobicContact CB-CE2 4.06Å; Y91-F121 HydrophobicContact CD1-CZ 4.16Å; Y91-F121 HydrophobicContact CE1-CE1 4.4Å; Y91-F121 AromaticContact CE1-CE2 3.98Å; Y91-F121 HydrophobicContact CE1-CE2 3.98Å; Y91-F121 AromaticContact CE1-CZ 3.81Å; Y91-F121 HydrophobicContact CE1-CZ 3.81Å; Y91-K125 HydrophobicContact CD1-CB 3.56Å; Y91-K125 HydrophobicContact CD1-CD 4.45Å; Y91-K125 HydrophobicContact CD2-CB 3.81Å; Y91-K125 HydrophobicContact CD2-CD 4.02Å; Y91-K125 HydrophobicContact CD2-CG 4.48Å; Y91-K125 HydrophobicContact CE1-CB 3.81Å; Y91-K125 HydrophobicContact CE1-CD 3.93Å; Y91-K125 HydrophobicContact CE2-CB 4.06Å; Y91-K125 HydrophobicContact CE2-CD 3.45Å; Y91-K125 VanDerWaalsContact CE2-CD 3.45Å; Y91-K125 HydrophobicContact CE2-CG 4.35Å; Y91-K125 HydrophobicContact CG-CB 3.53Å; Y91-K125 HydrophobicContact CG-CD 4.47Å; Y91-K125 PolarHBondContact OH-NZ 2.66Å; Y91-V126 HydrophobicContact CD1-CG2 3.77Å; Y91-G130 WeakPolarHBondContact O-CA 3.5Å; Y91-I131 WeakPolarHBondContact O-CB 3.31Å; Y91-I131 WeakPolarHBondContact O-CD1 3.42Å; Y91-I131 VanDerWaalsContact O-CG1 3.23Å; Y91-I131 WeakPolarHBondContact O-CG1 3.33Å; Y91-I131 PolarHBondContact O-N 3.35Å |
| 92 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -121.2 | 143.6 | -170.2 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | L66 F67 F90 I131 Y133 F270 F300 | L66-V92 HydrophobicContact CD2-CG2 4.29Å; L66-V92 VanDerWaalsContact O-CG2 3.31Å; L66-V92 WeakPolarHBondContact O-CG2 3.49Å; F67-V92 PolarHBondContact O-N 3.46Å; F90-V92 HydrophobicContact CB-CG1 4.32Å; V92-I131 WeakPolarHBondContact CA-O 3.3Å; V92-I131 HydrophobicContact CG1-CB 4.46Å; V92-Y133 HydrophobicContact CB-CD1 4.24Å; V92-Y133 HydrophobicContact CB-CE1 4.41Å; V92-F270 HydrophobicContact CG1-CB 3.73Å; V92-F270 HydrophobicContact CG1-CD1 3.6Å; V92-F270 HydrophobicContact CG1-CD2 3.96Å; V92-F270 HydrophobicContact CG1-CE1 4.19Å; V92-F270 HydrophobicContact CG1-CG 3.45Å; V92-F270 VanDerWaalsContact CG1-CG 3.45Å; V92-F300 HydrophobicContact CG2-CZ 4.11Å |
| 93 | F | 98.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | trans | -154.5 | 133.3 | -179.1 | -173.7 | -103 | 0 | 0 | 0 | 110.5 | L65 K95 F106 V126 F127 I131 P132 | L65-F93 HydrophobicContact CD2-CD2 4.11Å; L65-F93 HydrophobicContact CD2-CE2 4.41Å; F93-K95 HydrophobicContact CD1-CB 4.18Å; F93-K95 PolarHBondContact O-N 2.85Å; F93-F106 AromaticContact CE2-CE1 3.7Å; F93-F106 HydrophobicContact CE2-CE1 3.7Å; F93-F106 AromaticContact CE2-CZ 3.82Å; F93-F106 HydrophobicContact CE2-CZ 3.82Å; F93-F106 HydrophobicContact CZ-CE1 4.14Å; F93-V126 HydrophobicContact CB-CG1 4.39Å; F93-V126 HydrophobicContact CD2-CG1 3.95Å; F93-F127 AromaticContact CD2-CD1 3.94Å; F93-F127 HydrophobicContact CD2-CD1 3.94Å; F93-F127 HydrophobicContact CD2-CE1 4.45Å; F93-F127 AromaticContact CE2-CD1 3.64Å; F93-F127 HydrophobicContact CE2-CD1 3.64Å; F93-F127 HydrophobicContact CE2-CE1 4.14Å; F93-F127 HydrophobicContact CZ-CD1 4.44Å; F93-I131 PolarHBondContact N-O 3.12Å; F93-P132 WeakPolarHBondContact O-CA 3.49Å | ||
| 94 | P | 97.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | trans | -75.2 | 62.8 | -178.5 | 31.7 | -36 | 0 | 0 | 0 | 111.4 | L65 P96 V104 Y133 | L65-P94 HydrophobicContact CD1-CG 4.04Å; L65-P94 HydrophobicContact CD2-CG 4.48Å; P94-P96 VanDerWaalsContact O-CD 3.28Å; P94-P96 WeakPolarHBondContact O-CD 3.48Å; P94-V104 HydrophobicContact CB-CB 3.85Å; P94-V104 HydrophobicContact CB-CG1 4.23Å; P94-V104 HydrophobicContact CB-CG2 3.83Å; P94-V104 HydrophobicContact CG-CB 3.86Å; P94-V104 HydrophobicContact CG-CG1 3.93Å; P94-V104 HydrophobicContact CG-CG2 4.38Å; P94-Y133 HydrophobicContact CB-CE1 4.07Å; P94-Y133 HydrophobicContact CB-CE2 4.35Å | ||
| 95 | K | 95.9 | Very high | 94.8 | Very high | 103 Ų | 103 | 56 Ų | 56 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | trans | -65.1 | 120.6 | 174.1 | 168.3 | 170.4 | 164 | 42.9 | 0 | 108.7 | F93 F97 | F93-K95 HydrophobicContact CD1-CB 4.18Å; F93-K95 PolarHBondContact O-N 2.85Å; K95-F97 PolarHBondContact O-N 2.88Å | ||
| 96 | P | 93.6 | Very high | 94.8 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | trans | -58 | 128.6 | 174.8 | -25.1 | 35.4 | 0 | 0 | 0 | 110.8 | P94 | P94-P96 VanDerWaalsContact O-CD 3.28Å; P94-P96 WeakPolarHBondContact O-CD 3.48Å | ||
| 97 | F | 90.2 | Very high | 94.8 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -69.2 | -45.2 | -178.8 | 173.1 | -110.6 | 0 | 0 | 0 | 111.1 | K95 S101 L142 Y146 A267 | K95-F97 PolarHBondContact O-N 2.88Å; F97-S101 PolarHBondContact N-OG 3.31Å; F97-L142 HydrophobicContact CD1-CD1 4.14Å; F97-L142 HydrophobicContact CD1-CD2 3.85Å; F97-L142 HydrophobicContact CE1-CD1 4.2Å; F97-L142 HydrophobicContact CE1-CD2 4.06Å; F97-L142 HydrophobicContact CG-CD2 4.48Å; F97-Y146 HydrophobicContact CE1-CE2 4.32Å; F97-A267 HydrophobicContact CB-CB 4.43Å; F97-A267 HydrophobicContact CD2-CB 3.5Å; F97-A267 VanDerWaalsContact CD2-CB 3.5Å; F97-A267 HydrophobicContact CE2-CB 3.78Å; F97-A267 HydrophobicContact CG-CB 3.91Å; F97-A267 HydrophobicContact CZ-CB 4.41Å |
| 98 | N | 87.4 | Confident | 94.8 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -142.7 | -179.9 | 174.3 | 67.4 | 52.4 | 0 | 0 | 0 | 111.6 | S100 S101 | N98-S100 PolarHBondContact O-N 3.24Å; N98-S100 WeakPolarHBondContact OD1-CA 3.49Å; N98-S100 PolarHBondContact OD1-N 2.88Å; N98-S100 PolarHBondContact OD1-OG 2.7Å; N98-S101 PolarHBondContact N-OG 3.36Å; N98-S101 WeakPolarHBondContact O-CB 3.39Å; N98-S101 PolarHBondContact O-N 2.77Å; N98-S101 VanDerWaalsContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.74Å; N98-S101 PolarHBondContact OD1-N 2.75Å; N98-S101 VanDerWaalsContact OD1-N 3.12Å; N98-S101 PolarHBondContact OD1-OG 3.11Å |
| 99 | R | 87.1 | Confident | 94.8 | Very high | 253 Ų | 253 | 64.9 Ų | 64.9 | 96% | 0.955 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.4 | -175.3 | -168.9 | 54.7 | 172.8 | -170.8 | 1.9 | 114.6 | ||
| 100 | S | 85.8 | Confident | 94.7 | Very high | 88 Ų | 88 | 69.8 Ų | 69.8 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -5.6 | 172.8 | 44.6 | 0 | 0 | 0 | 0 | 113.8 | N98 | N98-S100 PolarHBondContact O-N 3.24Å; N98-S100 WeakPolarHBondContact OD1-CA 3.49Å; N98-S100 PolarHBondContact OD1-N 2.88Å; N98-S100 PolarHBondContact OD1-OG 2.7Å |
| 101 | S | 89.1 | Confident | 94.5 | Very high | 25 Ų | 25 | 73.2 Ų | 73.2 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -67.3 | 152.8 | 172.5 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | F97 N98 D103 | F97-S101 PolarHBondContact N-OG 3.31Å; N98-S101 PolarHBondContact N-OG 3.36Å; N98-S101 WeakPolarHBondContact O-CB 3.39Å; N98-S101 PolarHBondContact O-N 2.77Å; N98-S101 VanDerWaalsContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.74Å; N98-S101 PolarHBondContact OD1-N 2.75Å; N98-S101 VanDerWaalsContact OD1-N 3.12Å; N98-S101 PolarHBondContact OD1-OG 3.11Å; S101-D103 PolarHBondContact O-N 2.99Å |
| 102 | P | 90.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 73.6 Ų | 73.6 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | trans | -53.4 | 137.3 | 170.3 | -25.9 | 35.5 | 0 | 0 | 0 | 112.2 | ||||
| 103 | D | 95.2 | Very high | 94.3 | Very high | 125 Ų | 125 | 75.6 Ų | 75.6 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | trans | -102.6 | 90.4 | 174.5 | -167.5 | 25.4 | 0 | 0 | 0 | 108 | S101 K105 | S101-D103 PolarHBondContact O-N 2.99Å; D103-K105 PolarHBondContact O-N 2.88Å | ||
| 104 | V | 96.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 79.2 Ų | 79.2 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | trans | -68.5 | 129.1 | -170 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | P94 | P94-V104 HydrophobicContact CB-CB 3.85Å; P94-V104 HydrophobicContact CB-CG1 4.23Å; P94-V104 HydrophobicContact CB-CG2 3.83Å; P94-V104 HydrophobicContact CG-CB 3.86Å; P94-V104 HydrophobicContact CG-CG1 3.93Å; P94-V104 HydrophobicContact CG-CG2 4.38Å | ||
| 105 | K | 97.9 | Very high | 94.1 | Very high | 192 Ų | 192 | 82.7 Ų | 82.7 | 84% | 0.835 | 44% | 0.436 | S | S | * | . | trans | -105.4 | 132.4 | 173.3 | -60.9 | 168.1 | -169.1 | 167.6 | 0 | 107.8 | D103 | D103-K105 PolarHBondContact O-N 2.88Š| ||
| 106 | F | 98 | Very high | 94.1 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 25% | 0.25 | 42% | 0.415 | C | S | . | . | trans | -135 | 159.4 | 179.1 | 62.8 | -83.1 | 0 | 0 | 0 | 109.5 | D63 L65 F93 F127 | D63-F106 CarbonylContact O-C 3.58Å; D63-F106 VanDerWaalsContact O-CA 3.32Å; D63-F106 WeakPolarHBondContact O-CA 3.39Å; L65-F106 HydrophobicContact CB-CB 4.11Å; L65-F106 HydrophobicContact CB-CD2 3.96Å; L65-F106 HydrophobicContact CB-CG 4.1Å; L65-F106 HydrophobicContact CD1-CB 4.44Å; L65-F106 HydrophobicContact CD2-CD1 4.27Å; L65-F106 HydrophobicContact CD2-CD2 4.17Å; L65-F106 HydrophobicContact CD2-CE1 4.39Å; L65-F106 HydrophobicContact CD2-CE2 4.28Å; L65-F106 HydrophobicContact CD2-CG 4.18Å; L65-F106 HydrophobicContact CD2-CZ 4.4Å; F93-F106 AromaticContact CE2-CE1 3.7Å; F93-F106 HydrophobicContact CE2-CE1 3.7Å; F93-F106 AromaticContact CE2-CZ 3.82Å; F93-F106 HydrophobicContact CE2-CZ 3.82Å; F93-F106 HydrophobicContact CZ-CE1 4.14Å; F106-F127 HydrophobicContact CE2-CE1 4.1Å; F106-F127 HydrophobicContact CZ-CD1 4.48Å; F106-F127 AromaticContact CZ-CE1 3.86Å; F106-F127 HydrophobicContact CZ-CE1 3.86Å | ||
| 107 | V | 97.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 78.4 Ų | 78.4 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -98.4 | 149.2 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | S32 D63 F64 | S32-V107 WeakPolarHBondContact CB-O 2.81Å; S32-V107 PolarHBondContact OG-O 3.44Å; D63-V107 HydrophobicContact CB-CG2 3.93Å; D63-V107 PolarHBondContact O-N 2.8Å; F64-V107 HydrophobicContact CD1-CB 4.01Å; F64-V107 HydrophobicContact CD1-CG1 4.23Å; F64-V107 VanDerWaalsContact CD1-O 3.27Å; F64-V107 WeakPolarHBondContact CD1-O 3.42Å; F64-V107 HydrophobicContact CE1-CB 3.8Å; F64-V107 HydrophobicContact CE1-CG1 3.52Å; F64-V107 HydrophobicContact CZ-CB 4.31Å; F64-V107 HydrophobicContact CZ-CG1 3.92Å |
| 108 | C | 97.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 79 Ų | 79 | 41% | 0.405 | 44% | 0.435 | S | S | . | . | trans | -119.2 | 129.4 | 168.4 | -67.7 | 0 | 0 | 0 | 0 | 109.2 | S32 I113 | S32-C108 CarbonylContact O-C 3.35Å; S32-C108 WeakPolarHBondContact O-CA 3.44Å; C108-I113 HydrophobicContact CB-CD1 4.34Å; C108-I113 HydrophobicContact CB-CG1 4.05Å | ||
| 109 | Q | 96.6 | Very high | 94.7 | Very high | 53 Ų | 53 | 81 Ų | 81 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | trans | -92.9 | 116.6 | 174.2 | -176.5 | -179.3 | -23.1 | 0 | 0 | 108.8 | S32 F64 S111 S112 I113 | S32-Q109 PolarHBondContact O-N 2.81Å; F64-Q109 HydrophobicContact CE1-CB 3.78Å; F64-Q109 HydrophobicContact CZ-CB 4.29Å; Q109-S111 PolarHBondContact NE2-OG 3.46Å; Q109-S111 PolarHBondContact O-N 3.26Å; Q109-S111 VanDerWaalsContact O-N 3.1Å; Q109-S112 PolarHBondContact O-N 3.19Å; Q109-I113 PolarHBondContact O-N 2.95Å; Q109-I113 VanDerWaalsContact O-N 3.1Å | ||
| 110 | S | 96.6 | Very high | 94.9 | Very high | 103 Ų | 103 | 72 Ų | 72 | 72% | 0.72 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -53.5 | -39.2 | -172.1 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | S112 I113 D114 | S110-S112 VanDerWaalsContact C-N 3.34Å; S110-S112 PolarHBondContact O-N 3.27Å; S110-I113 PolarHBondContact O-N 3.36Å; S110-D114 VanDerWaalsContact O-CB 3.27Å; S110-D114 WeakPolarHBondContact O-CB 3.4Å; S110-D114 PolarHBondContact O-N 3.15Å |
| 111 | S | 95.6 | Very high | 95.4 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.8 | -30.3 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | Q109 F115 | Q109-S111 PolarHBondContact NE2-OG 3.46Å; Q109-S111 PolarHBondContact O-N 3.26Å; Q109-S111 VanDerWaalsContact O-N 3.1Å; S111-F115 WeakPolarHBondContact O-CB 3.2Å; S111-F115 PolarHBondContact O-N 3.49Å |
| 112 | S | 95.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 11% | 0.105 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -77.9 | -38 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Q109 S110 L116 | Q109-S112 PolarHBondContact O-N 3.19Å; S110-S112 VanDerWaalsContact C-N 3.34Å; S110-S112 PolarHBondContact O-N 3.27Å; S112-L116 WeakPolarHBondContact O-CB 3.44Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 3.44Å |
| 113 | I | 97.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 173.6 | -58.5 | -58.2 | 0 | 0 | 0 | 111.2 | F67 C108 Q109 S110 L116 A117 F123 | F67-I113 HydrophobicContact CE2-CD1 4.21Å; F67-I113 HydrophobicContact CZ-CD1 4.29Å; C108-I113 HydrophobicContact CB-CD1 4.34Å; C108-I113 HydrophobicContact CB-CG1 4.05Å; Q109-I113 PolarHBondContact O-N 2.95Å; Q109-I113 VanDerWaalsContact O-N 3.1Å; S110-I113 PolarHBondContact O-N 3.36Å; I113-L116 PolarHBondContact O-N 3.37Å; I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 2.9Å; I113-F123 HydrophobicContact CD1-CE1 3.99Å; I113-F123 HydrophobicContact CG2-CE1 4.16Å; I113-F123 HydrophobicContact CG2-CE2 4.37Å; I113-F123 HydrophobicContact CG2-CZ 3.8Å |
| 114 | D | 97.3 | Very high | 96.3 | Very high | 117 Ų | 117 | 67 Ų | 67 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 175.1 | -176.6 | 67.8 | 0 | 0 | 0 | 111.8 | S110 A117 S118 | S110-D114 VanDerWaalsContact O-CB 3.27Å; S110-D114 WeakPolarHBondContact O-CB 3.4Å; S110-D114 PolarHBondContact O-N 3.15Å; D114-A117 WeakPolarHBondContact O-CB 3.31Å; D114-A117 PolarHBondContact O-N 2.95Å; D114-S118 PolarHBondContact O-N 3.46Å |
| 115 | F | 94.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 37% | 0.373 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57 | -54 | 173.6 | 177.8 | -104.1 | 0 | 0 | 0 | 111.8 | S111 A117 S118 Q119 H377 | S111-F115 WeakPolarHBondContact O-CB 3.2Å; S111-F115 PolarHBondContact O-N 3.49Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 2.94Å; F115-S118 WeakPolarHBondContact O-CB 3.46Å; F115-S118 PolarHBondContact O-N 3.07Å; F115-S118 PolarHBondContact O-OG 3.48Å; F115-Q119 HydrophobicContact CE1-CG 4.5Å; F115-Q119 HydrophobicContact CZ-CG 4.4Å; F115-Q119 WeakPolarHBondContact O-CG 3.43Å; F115-Q119 PolarHBondContact O-N 3.42Å; F115-H377 HydrophobicContact CE1-CB 3.99Å; F115-H377 AromaticContact CE1-CG 3.69Å; F115-H377 AromaticContact CE1-ND1 3.94Å; F115-H377 HydrophobicContact CZ-CB 4.23Å; F115-H377 AromaticContact CZ-CD2 3.45Å; F115-H377 VanDerWaalsContact CZ-CD2 3.45Å; F115-H377 WeakPolarHBondContact CZ-CD2 3.47Å; F115-H377 AromaticContact CZ-CE1 3.86Å; F115-H377 AromaticContact CZ-CG 3.5Å; F115-H377 VanDerWaalsContact CZ-CG 3.5Å; F115-H377 AromaticContact CZ-ND1 3.76Å; F115-H377 AromaticContact CZ-NE2 3.67Å |
| 116 | L | 96.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 178.1 | -74.1 | 170.2 | 0 | 0 | 0 | 112.8 | E30 F67 S112 I113 S118 Q119 G120 F121 F123 | E30-L116 HydrophobicContact CB-CD2 4.26Å; E30-L116 HydrophobicContact CG-CD2 4.02Å; E30-L116 WeakPolarHBondContact OE2-CD2 3.4Å; F67-L116 HydrophobicContact CE1-CD1 3.66Å; F67-L116 HydrophobicContact CZ-CD1 3.55Å; S112-L116 WeakPolarHBondContact O-CB 3.44Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 3.44Å; I113-L116 PolarHBondContact O-N 3.37Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.01Å; L116-Q119 PolarHBondContact O-N 3Å; L116-Q119 VanDerWaalsContact O-N 3.16Å; L116-G120 PolarHBondContact O-N 3.24Å; L116-F121 HydrophobicContact CB-CB 3.91Å; L116-F121 HydrophobicContact CB-CG 4.23Å; L116-F121 HydrophobicContact CD2-CD2 4.04Å; L116-F121 HydrophobicContact CD2-CG 4.42Å; L116-F121 WeakPolarHBondContact O-CB 3.12Å; L116-F121 PolarHBondContact O-N 2.9Å; L116-F121 VanDerWaalsContact O-N 3.07Å; L116-F123 HydrophobicContact CB-CE1 4.47Å; L116-F123 HydrophobicContact CB-CZ 3.86Å |
| 117 | A | 95.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I113 D114 F115 Q119 G120 F123 | I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 2.9Å; D114-A117 WeakPolarHBondContact O-CB 3.31Å; D114-A117 PolarHBondContact O-N 2.95Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 2.94Å; A117-Q119 PolarHBondContact O-N 2.83Å; A117-G120 PolarHBondContact O-N 3.2Å; A117-G120 VanDerWaalsContact O-N 3.11Å; A117-F123 HydrophobicContact CB-CE2 4.06Å |
| 118 | S | 94.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -24.5 | 176.4 | 81.9 | 0 | 0 | 0 | 0 | 113.8 | D114 F115 L116 | D114-S118 PolarHBondContact O-N 3.46Å; F115-S118 WeakPolarHBondContact O-CB 3.46Å; F115-S118 PolarHBondContact O-N 3.07Å; F115-S118 PolarHBondContact O-OG 3.48Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.01Å |
| 119 | Q | 92.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 63 Ų | 63 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 4.3 | 177.2 | -53.5 | -56 | -62.5 | 0 | 0 | 112.7 | F115 L116 A117 H377 | F115-Q119 HydrophobicContact CE1-CG 4.5Å; F115-Q119 HydrophobicContact CZ-CG 4.4Å; F115-Q119 WeakPolarHBondContact O-CG 3.43Å; F115-Q119 PolarHBondContact O-N 3.42Å; L116-Q119 PolarHBondContact O-N 3Å; L116-Q119 VanDerWaalsContact O-N 3.16Å; A117-Q119 PolarHBondContact O-N 2.83Å; Q119-H377 HydrophobicContact CB-CB 4.31Å; Q119-H377 HydrophobicContact CG-CB 3.88Å |
| 120 | G | 92.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 66% | 0.66 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 17.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L116 A117 D122 | L116-G120 PolarHBondContact O-N 3.24Å; A117-G120 PolarHBondContact O-N 3.2Å; A117-G120 VanDerWaalsContact O-N 3.11Å; G120-D122 PolarHBondContact O-N 3.28Å |
| 121 | F | 95.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | trans | -62.8 | 121.4 | 179.7 | -170.4 | -83.5 | 0 | 0 | 0 | 112.3 | E30 F67 Q68 Y91 L116 F123 V126 | E30-F121 HydrophobicContact CB-CE2 4.33Å; E30-F121 HydrophobicContact CG-CE2 4.48Å; F67-F121 AromaticContact CD1-CZ 3.87Å; F67-F121 HydrophobicContact CD1-CZ 3.87Å; F67-F121 HydrophobicContact CE1-CE1 4.17Å; F67-F121 HydrophobicContact CE1-CE2 4.25Å; F67-F121 AromaticContact CE1-CZ 3.7Å; F67-F121 HydrophobicContact CE1-CZ 3.7Å; F67-F121 HydrophobicContact CZ-CE1 4.37Å; F67-F121 HydrophobicContact CZ-CZ 4.35Å; Q68-F121 HydrophobicContact CB-CE2 3.82Å; Q68-F121 HydrophobicContact CB-CZ 4.07Å; Q68-F121 HydrophobicContact CG-CE2 4.29Å; Y91-F121 HydrophobicContact CD1-CZ 4.16Å; Y91-F121 HydrophobicContact CE1-CE1 4.4Å; Y91-F121 AromaticContact CE1-CE2 3.98Å; Y91-F121 HydrophobicContact CE1-CE2 3.98Å; Y91-F121 AromaticContact CE1-CZ 3.81Å; Y91-F121 HydrophobicContact CE1-CZ 3.81Å; L116-F121 HydrophobicContact CB-CB 3.91Å; L116-F121 HydrophobicContact CB-CG 4.23Å; L116-F121 HydrophobicContact CD2-CD2 4.04Å; L116-F121 HydrophobicContact CD2-CG 4.42Å; L116-F121 WeakPolarHBondContact O-CB 3.12Å; L116-F121 PolarHBondContact O-N 2.9Å; L116-F121 VanDerWaalsContact O-N 3.07Å; F121-F123 AromaticContact CD1-CD1 3.66Å; F121-F123 HydrophobicContact CD1-CD1 3.66Å; F121-F123 HydrophobicContact CD1-CD2 4.22Å; F121-F123 AromaticContact CD1-CE1 3.64Å; F121-F123 HydrophobicContact CD1-CE1 3.64Å; F121-F123 HydrophobicContact CD1-CE2 4.2Å; F121-F123 AromaticContact CD1-CG 3.96Å; F121-F123 HydrophobicContact CD1-CG 3.96Å; F121-F123 AromaticContact CD1-CZ 3.93Å; F121-F123 HydrophobicContact CD1-CZ 3.93Å; F121-F123 AromaticContact CE1-CD1 3.74Å; F121-F123 HydrophobicContact CE1-CD1 3.74Å; F121-F123 AromaticContact CE1-CE1 3.93Å; F121-F123 HydrophobicContact CE1-CE1 3.93Å; F121-F123 HydrophobicContact CE1-CG 4.31Å; F121-F123 WeakPolarHBondContact O-CD2 3.48Å; F121-F123 PolarHBondContact O-N 3.17Å; F121-V126 HydrophobicContact CE1-CG2 3.71Å; F121-V126 HydrophobicContact CZ-CG2 3.74Å | ||
| 122 | D | 96.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | trans | -86.5 | 93.3 | 177.4 | -179.6 | 13.6 | 0 | 0 | 0 | 112.1 | G120 N124 K125 | G120-D122 PolarHBondContact O-N 3.28Å; D122-N124 PolarHBondContact O-N 2.95Å; D122-N124 WeakPolarHBondContact OD1-CB 3.4Å; D122-N124 PolarHBondContact OD1-N 3.24Å; D122-N124 PolarHBondContact OD1-ND2 2.93Å; D122-K125 HydrophobicContact CB-CD 4.03Å; D122-K125 HydrophobicContact CB-CG 4.09Å; D122-K125 WeakPolarHBondContact O-CB 3.4Å; D122-K125 PolarHBondContact O-N 2.7Å; D122-K125 WeakPolarHBondContact OD2-CG 3.09Å | ||
| 123 | F | 98.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -18.1 | 174.9 | -63.6 | -76.8 | 0 | 0 | 0 | 114.6 | F67 I113 L116 A117 F121 K125 V126 F127 | F67-F123 HydrophobicContact CE2-CE1 4.37Å; F67-F123 HydrophobicContact CZ-CE1 4.13Å; I113-F123 HydrophobicContact CD1-CE1 3.99Å; I113-F123 HydrophobicContact CG2-CE1 4.16Å; I113-F123 HydrophobicContact CG2-CE2 4.37Å; I113-F123 HydrophobicContact CG2-CZ 3.8Å; L116-F123 HydrophobicContact CB-CE1 4.47Å; L116-F123 HydrophobicContact CB-CZ 3.86Å; A117-F123 HydrophobicContact CB-CE2 4.06Å; F121-F123 AromaticContact CD1-CD1 3.66Å; F121-F123 HydrophobicContact CD1-CD1 3.66Å; F121-F123 HydrophobicContact CD1-CD2 4.22Å; F121-F123 AromaticContact CD1-CE1 3.64Å; F121-F123 HydrophobicContact CD1-CE1 3.64Å; F121-F123 HydrophobicContact CD1-CE2 4.2Å; F121-F123 AromaticContact CD1-CG 3.96Å; F121-F123 HydrophobicContact CD1-CG 3.96Å; F121-F123 AromaticContact CD1-CZ 3.93Å; F121-F123 HydrophobicContact CD1-CZ 3.93Å; F121-F123 AromaticContact CE1-CD1 3.74Å; F121-F123 HydrophobicContact CE1-CD1 3.74Å; F121-F123 AromaticContact CE1-CE1 3.93Å; F121-F123 HydrophobicContact CE1-CE1 3.93Å; F121-F123 HydrophobicContact CE1-CG 4.31Å; F121-F123 WeakPolarHBondContact O-CD2 3.48Å; F121-F123 PolarHBondContact O-N 3.17Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.66Å; F123-V126 PolarHBondContact O-N 2.9Å; F123-F127 HydrophobicContact CB-CD2 3.87Å; F123-F127 HydrophobicContact CB-CE2 3.82Å; F123-F127 AromaticContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CZ 4.38Å; F123-F127 HydrophobicContact CG-CE2 4.16Å; F123-F127 WeakPolarHBondContact O-CD2 3.35Å; F123-F127 PolarHBondContact O-N 2.86Å |
| 124 | N | 98.4 | Very high | 96.9 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.8 | -27.9 | 173.5 | -60.8 | -84.9 | 0 | 0 | 0 | 112.1 | D122 V126 R128 N129 | D122-N124 PolarHBondContact O-N 2.95Å; D122-N124 WeakPolarHBondContact OD1-CB 3.4Å; D122-N124 PolarHBondContact OD1-N 3.24Å; D122-N124 PolarHBondContact OD1-ND2 2.93Å; N124-V126 VanDerWaalsContact C-N 3.26Å; N124-V126 PolarHBondContact O-N 2.87Å; N124-R128 WeakPolarHBondContact O-CB 3.32Å; N124-R128 PolarHBondContact O-N 3.22Å; N124-N129 PolarHBondContact O-N 3.2Å; N124-N129 VanDerWaalsContact O-N 3.08Å; N124-N129 PolarHBondContact O-ND2 3.34Å |
| 125 | K | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 173.5 | -62.8 | 175.2 | -170.7 | 168.8 | 0 | 110.8 | E2 I4 Y91 D122 F123 N129 G130 | E2-K125 IonicContact OE2-NZ 2.96Å; E2-K125 PolarHBondContact OE2-NZ 3.12Å; I4-K125 HydrophobicContact CG2-CB 4Å; I4-K125 HydrophobicContact CG2-CG 4.29Å; Y91-K125 HydrophobicContact CD1-CB 3.56Å; Y91-K125 HydrophobicContact CD1-CD 4.45Å; Y91-K125 HydrophobicContact CD2-CB 3.81Å; Y91-K125 HydrophobicContact CD2-CD 4.02Å; Y91-K125 HydrophobicContact CD2-CG 4.48Å; Y91-K125 HydrophobicContact CE1-CB 3.81Å; Y91-K125 HydrophobicContact CE1-CD 3.93Å; Y91-K125 HydrophobicContact CE2-CB 4.06Å; Y91-K125 HydrophobicContact CE2-CD 3.45Å; Y91-K125 VanDerWaalsContact CE2-CD 3.45Å; Y91-K125 HydrophobicContact CE2-CG 4.35Å; Y91-K125 HydrophobicContact CG-CB 3.53Å; Y91-K125 HydrophobicContact CG-CD 4.47Å; Y91-K125 PolarHBondContact OH-NZ 2.66Å; D122-K125 HydrophobicContact CB-CD 4.03Å; D122-K125 HydrophobicContact CB-CG 4.09Å; D122-K125 WeakPolarHBondContact O-CB 3.4Å; D122-K125 PolarHBondContact O-N 2.7Å; D122-K125 WeakPolarHBondContact OD2-CG 3.09Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.66Å; K125-N129 CarbonylContact O-C 3.57Å; K125-G130 WeakPolarHBondContact O-CA 3.31Å; K125-G130 PolarHBondContact O-N 2.86Å |
| 126 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.2 | -75.5 | 170.6 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | F67 Y91 F93 F121 F123 N124 R128 G130 | F67-V126 HydrophobicContact CB-CG1 3.7Å; F67-V126 HydrophobicContact CB-CG2 3.98Å; F67-V126 HydrophobicContact CD1-CG2 4.41Å; F67-V126 HydrophobicContact CD2-CG1 4Å; F67-V126 HydrophobicContact CD2-CG2 4.32Å; F67-V126 HydrophobicContact CG-CG1 4.13Å; F67-V126 HydrophobicContact CG-CG2 4Å; Y91-V126 HydrophobicContact CD1-CG2 3.77Å; F93-V126 HydrophobicContact CB-CG1 4.39Å; F93-V126 HydrophobicContact CD2-CG1 3.95Å; F121-V126 HydrophobicContact CE1-CG2 3.71Å; F121-V126 HydrophobicContact CZ-CG2 3.74Å; F123-V126 PolarHBondContact O-N 2.9Å; N124-V126 VanDerWaalsContact C-N 3.26Å; N124-V126 PolarHBondContact O-N 2.87Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 2.68Å; V126-G130 WeakPolarHBondContact O-CA 3.34Å; V126-G130 PolarHBondContact O-N 3.13Å |
| 127 | F | 98.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.9 | -27.6 | -161.1 | -57.6 | -54.1 | 0 | 0 | 0 | 113.6 | F67 F93 F106 F123 | F67-F127 HydrophobicContact CD2-CZ 4.45Å; F67-F127 HydrophobicContact CE2-CZ 4.37Å; F93-F127 AromaticContact CD2-CD1 3.94Å; F93-F127 HydrophobicContact CD2-CD1 3.94Å; F93-F127 HydrophobicContact CD2-CE1 4.45Å; F93-F127 AromaticContact CE2-CD1 3.64Å; F93-F127 HydrophobicContact CE2-CD1 3.64Å; F93-F127 HydrophobicContact CE2-CE1 4.14Å; F93-F127 HydrophobicContact CZ-CD1 4.44Å; F106-F127 HydrophobicContact CE2-CE1 4.1Å; F106-F127 HydrophobicContact CZ-CD1 4.48Å; F106-F127 AromaticContact CZ-CE1 3.86Å; F106-F127 HydrophobicContact CZ-CE1 3.86Å; F123-F127 HydrophobicContact CB-CD2 3.87Å; F123-F127 HydrophobicContact CB-CE2 3.82Å; F123-F127 AromaticContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CZ 4.38Å; F123-F127 HydrophobicContact CG-CE2 4.16Å; F123-F127 WeakPolarHBondContact O-CD2 3.35Å; F123-F127 PolarHBondContact O-N 2.86Å |
| 128 | R | 98 | Very high | 96.5 | Very high | 165 Ų | 165 | 49.6 Ų | 49.6 | 62% | 0.623 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -44.1 | 176.6 | -159.6 | 179.3 | 90.6 | -171.5 | 8.3 | 112 | R5 N124 V126 | R5-R128 PolarHBondContact NH1-O 2.78Å; R5-R128 VanDerWaalsContact NH1-O 3.1Å; R5-R128 PolarHBondContact NH2-O 2.65Å; N124-R128 WeakPolarHBondContact O-CB 3.32Å; N124-R128 PolarHBondContact O-N 3.22Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 2.68Å |
| 129 | N | 98.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 10.7 | -167.9 | -50.6 | -70.2 | 0 | 0 | 0 | 114.6 | I4 R5 N124 K125 | I4-N129 HydrophobicContact CB-CB 4.23Å; I4-N129 HydrophobicContact CD1-CB 4.15Å; R5-N129 WeakPolarHBondContact CB-O 3.34Å; R5-N129 PolarHBondContact N-O 2.97Å; N124-N129 PolarHBondContact O-N 3.2Å; N124-N129 VanDerWaalsContact O-N 3.08Å; N124-N129 PolarHBondContact O-ND2 3.34Å; K125-N129 CarbonylContact O-C 3.57Å |
| 130 | G | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 139 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R5 Y91 K125 V126 | R5-G130 WeakPolarHBondContact CB-O 3.35Å; R5-G130 PolarHBondContact NH1-O 2.97Å; Y91-G130 WeakPolarHBondContact O-CA 3.5Å; K125-G130 WeakPolarHBondContact O-CA 3.31Å; K125-G130 PolarHBondContact O-N 2.86Å; V126-G130 WeakPolarHBondContact O-CA 3.34Å; V126-G130 PolarHBondContact O-N 3.13Å |
| 131 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 127.6 | 175.1 | -52.4 | 157.9 | 0 | 0 | 0 | 107.1 | I3 F8 F90 Y91 V92 F93 F270 | I3-I131 HydrophobicContact CG2-CD1 4.07Å; F8-I131 HydrophobicContact CB-CD1 4.24Å; F8-I131 HydrophobicContact CB-CG1 4.07Å; F8-I131 HydrophobicContact CB-CG2 4.28Å; F8-I131 HydrophobicContact CD1-CG2 3.81Å; F8-I131 HydrophobicContact CD2-CD1 3.7Å; F8-I131 HydrophobicContact CD2-CG1 4.28Å; F8-I131 HydrophobicContact CD2-CG2 4.03Å; F8-I131 HydrophobicContact CE1-CG2 4.12Å; F8-I131 HydrophobicContact CE2-CD1 4.37Å; F8-I131 HydrophobicContact CE2-CG2 4.31Å; F8-I131 HydrophobicContact CG-CD1 4.16Å; F8-I131 HydrophobicContact CG-CG1 4.24Å; F8-I131 HydrophobicContact CG-CG2 3.77Å; F8-I131 HydrophobicContact CZ-CG2 4.36Å; F90-I131 HydrophobicContact CB-CD1 4.12Å; F90-I131 HydrophobicContact CD1-CD1 4.04Å; Y91-I131 WeakPolarHBondContact O-CB 3.31Å; Y91-I131 WeakPolarHBondContact O-CD1 3.42Å; Y91-I131 VanDerWaalsContact O-CG1 3.23Å; Y91-I131 WeakPolarHBondContact O-CG1 3.33Å; Y91-I131 PolarHBondContact O-N 3.35Å; V92-I131 WeakPolarHBondContact CA-O 3.3Å; V92-I131 HydrophobicContact CG1-CB 4.46Å; F93-I131 PolarHBondContact N-O 3.12Å; I131-F270 HydrophobicContact CB-CB 4.49Å; I131-F270 HydrophobicContact CG2-CB 4.01Å |
| 132 | P | 98.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 50 Ų | 50 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 164.4 | 173.7 | 32.6 | -37.3 | 0 | 0 | 0 | 110.5 | F93 D266 G269 F270 | F93-P132 WeakPolarHBondContact O-CA 3.49Å; P132-D266 VanDerWaalsContact CG-O 3.28Å; P132-D266 WeakPolarHBondContact CG-O 3.45Å; P132-G269 WeakPolarHBondContact O-CA 3.44Å; P132-F270 PolarHBondContact O-N 2.95Å |
| 133 | Y | 98.3 | Very high | 96 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -151.4 | 159.7 | 171.1 | 59.5 | -94.5 | 0 | 0 | 0 | 109.7 | L65 V92 P94 V268 Q299 F300 | L65-Y133 WeakPolarHBondContact CD1-OH 3.37Å; V92-Y133 HydrophobicContact CB-CD1 4.24Å; V92-Y133 HydrophobicContact CB-CE1 4.41Å; P94-Y133 HydrophobicContact CB-CE1 4.07Å; P94-Y133 HydrophobicContact CB-CE2 4.35Å; Y133-V268 WeakPolarHBondContact CA-O 3.4Å; Y133-Q299 VanDerWaalsContact CD2-O 3.31Å; Y133-Q299 WeakPolarHBondContact CD2-O 3.37Å; Y133-Q299 HydrophobicContact CE2-CB 3.86Å; Y133-Q299 HydrophobicContact CE2-CG 4.43Å; Y133-Q299 WeakPolarHBondContact CE2-O 3.31Å; Y133-Q299 PolarHBondContact OH-NE2 3.18Å; Y133-F300 HydrophobicContact CD1-CD1 4.3Å; Y133-F300 AromaticContact CD1-CE1 3.67Å; Y133-F300 HydrophobicContact CD1-CE1 3.67Å; Y133-F300 AromaticContact CD2-CD1 3.7Å; Y133-F300 HydrophobicContact CD2-CD1 3.7Å; Y133-F300 AromaticContact CD2-CE1 3.78Å; Y133-F300 HydrophobicContact CD2-CE1 3.78Å; Y133-F300 AromaticContact CE1-CE1 3.93Å; Y133-F300 HydrophobicContact CE1-CE1 3.93Å; Y133-F300 HydrophobicContact CE2-CD1 4.26Å; Y133-F300 HydrophobicContact CE2-CE1 4.07Å; Y133-F300 AromaticContact CG-CD1 3.72Å; Y133-F300 HydrophobicContact CG-CD1 3.72Å; Y133-F300 AromaticContact CG-CE1 3.57Å; Y133-F300 HydrophobicContact CG-CE1 3.57Å |
| 134 | L | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | trans | -132.2 | 145.6 | 168.7 | -62 | 174.4 | 0 | 0 | 0 | 108.1 | E138 E139 L142 A267 V268 S271 | L134-E138 WeakPolarHBondContact CA-OE2 3.43Å; L134-E138 HydrophobicContact CB-CB 3.99Å; L134-E138 HydrophobicContact CD2-CB 4.07Å; L134-E138 HydrophobicContact CG-CB 4.5Å; L134-E139 HydrophobicContact CB-CB 4.44Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; L134-A267 HydrophobicContact CD1-CB 4Å; L134-V268 HydrophobicContact CD1-CG2 4.24Å; L134-S271 WeakPolarHBondContact O-CB 3.31Å; L134-S271 PolarHBondContact O-OG 3.08Å | ||
| 135 | N | 96 | Very high | 95.1 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | trans | -79.8 | 174.2 | 168 | 74.3 | 50 | 0 | 0 | 0 | 111 | E137 E138 E139 Y301 | N135-E137 VanDerWaalsContact C-N 3.31Å; N135-E137 PolarHBondContact O-N 2.92Å; N135-E137 WeakPolarHBondContact OD1-CB 3.33Å; N135-E137 PolarHBondContact OD1-N 3.13Å; N135-E138 PolarHBondContact N-OE2 3.45Å; N135-E138 PolarHBondContact ND2-OE1 2.9Å; N135-E138 PolarHBondContact ND2-OE2 3.41Å; N135-E138 VanDerWaalsContact ND2-OE2 3.1Å; N135-E138 PolarHBondContact O-N 2.88Å; N135-E138 PolarHBondContact OD1-N 2.9Å; N135-E139 WeakPolarHBondContact O-CB 3.34Å; N135-E139 PolarHBondContact O-N 2.88Å; N135-Y301 WeakPolarHBondContact CB-O 3.39Å | ||
| 136 | Q | 93.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 52 Ų | 52 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -31.9 | -175 | -168.9 | -176.8 | 20 | 0 | 0 | 113.7 | R140 Y301 | Q136-R140 WeakPolarHBondContact O-CB 3.46Å; Q136-R140 PolarHBondContact O-N 3.14Å; Q136-R140 PolarHBondContact O-NH2 2.88Å; Q136-Y301 WeakPolarHBondContact CB-O 3.35Å; Q136-Y301 PolarHBondContact N-O 2.89Å; Q136-Y301 VanDerWaalsContact OE1-CZ 3.32Å; Q136-Y301 PolarHBondContact OE1-OH 3.22Å |
| 137 | E | 92.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.5 | -45.5 | 175.2 | -68 | -57.1 | 137.7 | 0 | 0 | 110.9 | N135 R140 Q141 | N135-E137 VanDerWaalsContact C-N 3.31Å; N135-E137 PolarHBondContact O-N 2.92Å; N135-E137 WeakPolarHBondContact OD1-CB 3.33Å; N135-E137 PolarHBondContact OD1-N 3.13Å; E137-R140 PolarHBondContact O-N 3.28Å; E137-R140 IonicContact OE1-CZ 3.67Å; E137-R140 IonicContact OE1-NH1 2.68Å; E137-R140 PolarHBondContact OE1-NH1 3.06Å; E137-R140 IonicContact OE1-NH2 2.66Å; E137-R140 PolarHBondContact OE1-NH2 3.15Å; E137-R140 IonicContact OE2-CZ 2.7Å; E137-R140 IonicContact OE2-NE 3.15Å; E137-R140 PolarHBondContact OE2-NE 2.88Å; E137-R140 IonicContact OE2-NH1 2.66Å; E137-R140 PolarHBondContact OE2-NH1 3.5Å; E137-R140 IonicContact OE2-NH2 2.7Å; E137-R140 PolarHBondContact OE2-NH2 3.12Å; E137-Q141 WeakPolarHBondContact O-CB 3.45Å; E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.35Å; E137-Q141 PolarHBondContact O-N 3.33Å |
| 138 | E | 93.7 | Very high | 92.9 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 178.7 | -66.7 | 169.1 | 155.4 | 0 | 0 | 112.5 | L134 N135 L142 | L134-E138 WeakPolarHBondContact CA-OE2 3.43Å; L134-E138 HydrophobicContact CB-CB 3.99Å; L134-E138 HydrophobicContact CD2-CB 4.07Å; L134-E138 HydrophobicContact CG-CB 4.5Å; N135-E138 PolarHBondContact N-OE2 3.45Å; N135-E138 PolarHBondContact ND2-OE1 2.9Å; N135-E138 PolarHBondContact ND2-OE2 3.41Å; N135-E138 VanDerWaalsContact ND2-OE2 3.1Å; N135-E138 PolarHBondContact O-N 2.88Å; N135-E138 PolarHBondContact OD1-N 2.9Å; E138-L142 VanDerWaalsContact O-CB 3.28Å; E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 PolarHBondContact O-N 2.86Å |
| 139 | E | 94.4 | Very high | 92 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.1 | 174.3 | 172.2 | -175.5 | 0 | 0 | 111.4 | L134 N135 L142 R143 V268 | L134-E139 HydrophobicContact CB-CB 4.44Å; N135-E139 WeakPolarHBondContact O-CB 3.34Å; N135-E139 PolarHBondContact O-N 2.88Å; E139-L142 PolarHBondContact O-N 2.87Å; E139-R143 WeakPolarHBondContact O-CB 3.36Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.13Å; E139-R143 IonicContact OE1-CZ 3.91Å; E139-R143 IonicContact OE1-NE 3.26Å; E139-R143 PolarHBondContact OE1-NE 2.95Å; E139-R143 IonicContact OE1-NH2 2.63Å; E139-R143 PolarHBondContact OE1-NH2 3.47Å; E139-V268 HydrophobicContact CB-CG2 4.09Å; E139-V268 VanDerWaalsContact CD-CG2 3.42Å; E139-V268 HydrophobicContact CG-CG2 3.6Å; E139-V268 WeakPolarHBondContact OE2-CG1 3.26Å |
| 140 | R | 93.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 178.7 | 171.4 | 176.1 | 48.8 | -126.6 | -89.2 | 111.3 | Q136 E137 L142 R143 E144 | Q136-R140 WeakPolarHBondContact O-CB 3.46Å; Q136-R140 PolarHBondContact O-N 3.14Å; Q136-R140 PolarHBondContact O-NH2 2.88Å; E137-R140 PolarHBondContact O-N 3.28Å; E137-R140 IonicContact OE1-CZ 3.67Å; E137-R140 IonicContact OE1-NH1 2.68Å; E137-R140 PolarHBondContact OE1-NH1 3.06Å; E137-R140 IonicContact OE1-NH2 2.66Å; E137-R140 PolarHBondContact OE1-NH2 3.15Å; E137-R140 IonicContact OE2-CZ 2.7Å; E137-R140 IonicContact OE2-NE 3.15Å; E137-R140 PolarHBondContact OE2-NE 2.88Å; E137-R140 IonicContact OE2-NH1 2.66Å; E137-R140 PolarHBondContact OE2-NH1 3.5Å; E137-R140 IonicContact OE2-NH2 2.7Å; E137-R140 PolarHBondContact OE2-NH2 3.12Å; R140-L142 VanDerWaalsContact C-N 3.26Å; R140-L142 PolarHBondContact O-N 3.21Å; R140-R143 WeakPolarHBondContact O-CB 3.38Å; R140-R143 PolarHBondContact O-N 2.93Å; R140-R143 VanDerWaalsContact O-N 3.17Å; R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 VanDerWaalsContact CG-OE1 3.25Å; R140-E144 WeakPolarHBondContact CG-OE1 3.1Å; R140-E144 WeakPolarHBondContact O-CG 3.22Å; R140-E144 PolarHBondContact O-N 2.85Å |
| 141 | Q | 91.9 | Very high | 89.5 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.2 | -71.2 | 170 | 20.8 | 0 | 0 | 111.7 | E137 Q145 | E137-Q141 WeakPolarHBondContact O-CB 3.45Å; E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.35Å; E137-Q141 PolarHBondContact O-N 3.33Å; Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.48Å |
| 142 | L | 90.4 | Very high | 87.9 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 176.8 | -168.6 | 61.7 | 0 | 0 | 0 | 111.9 | F97 L134 E138 E139 R140 Q145 Y146 L264 A267 | F97-L142 HydrophobicContact CD1-CD1 4.14Å; F97-L142 HydrophobicContact CD1-CD2 3.85Å; F97-L142 HydrophobicContact CE1-CD1 4.2Å; F97-L142 HydrophobicContact CE1-CD2 4.06Å; F97-L142 HydrophobicContact CG-CD2 4.48Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; E138-L142 VanDerWaalsContact O-CB 3.28Å; E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 PolarHBondContact O-N 2.86Å; E139-L142 PolarHBondContact O-N 2.87Å; R140-L142 VanDerWaalsContact C-N 3.26Å; R140-L142 PolarHBondContact O-N 3.21Å; L142-Q145 PolarHBondContact O-N 3.39Å; L142-Y146 HydrophobicContact CD1-CD2 4.26Å; L142-Y146 HydrophobicContact CD1-CE2 3.96Å; L142-Y146 HydrophobicContact CG-CD2 4.45Å; L142-Y146 HydrophobicContact CG-CE2 4.35Å; L142-Y146 WeakPolarHBondContact O-CD2 3.48Å; L142-Y146 PolarHBondContact O-N 2.82Å; L142-L264 HydrophobicContact CB-CD1 4.16Å; L142-L264 HydrophobicContact CD2-CD1 3.52Å; L142-L264 HydrophobicContact CG-CD1 3.65Å; L142-A267 HydrophobicContact CD2-CB 4.15Å |
| 143 | R | 90.5 | Very high | 86 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -54.1 | 172.2 | -81.5 | 173.3 | -171.1 | -57.2 | -3.9 | 111.4 | E139 R140 Q145 Y146 D147 L264 | E139-R143 WeakPolarHBondContact O-CB 3.36Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.13Å; E139-R143 IonicContact OE1-CZ 3.91Å; E139-R143 IonicContact OE1-NE 3.26Å; E139-R143 PolarHBondContact OE1-NE 2.95Å; E139-R143 IonicContact OE1-NH2 2.63Å; E139-R143 PolarHBondContact OE1-NH2 3.47Å; R140-R143 WeakPolarHBondContact O-CB 3.38Å; R140-R143 PolarHBondContact O-N 2.93Å; R140-R143 VanDerWaalsContact O-N 3.17Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-Q145 PolarHBondContact O-N 2.88Å; R143-Y146 PolarHBondContact O-N 2.99Å; R143-D147 PolarHBondContact O-N 2.94Å; R143-L264 HydrophobicContact CG-CD1 4.49Å; R143-L264 HydrophobicContact CG-CD2 3.69Å; R143-L264 HydrophobicContact CG-CG 4.47Å; R143-L264 VanDerWaalsContact NH1-CD2 3.31Å |
| 144 | E | 90.6 | Very high | 83.6 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 178.4 | -71.9 | 169.5 | -178.1 | 0 | 0 | 111.6 | R140 Y146 D147 E148 | R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 VanDerWaalsContact CG-OE1 3.25Å; R140-E144 WeakPolarHBondContact CG-OE1 3.1Å; R140-E144 WeakPolarHBondContact O-CG 3.22Å; R140-E144 PolarHBondContact O-N 2.85Å; E144-Y146 VanDerWaalsContact C-N 3.28Å; E144-Y146 PolarHBondContact O-N 3.46Å; E144-D147 PolarHBondContact O-N 3.08Å; E144-E148 WeakPolarHBondContact O-CG 3.31Å; E144-E148 PolarHBondContact O-N 3Å |
| 145 | Q | 86.5 | Confident | 80.9 | Confident | 64 Ų | 64 | 76 Ų | 76 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 177.7 | -162.6 | -165 | 65.9 | 0 | 0 | 113.2 | Q141 L142 R143 K149 | Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.48Å; L142-Q145 PolarHBondContact O-N 3.39Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-Q145 PolarHBondContact O-N 2.88Å; Q145-K149 VanDerWaalsContact CD-NZ 3.34Å; Q145-K149 WeakPolarHBondContact O-CD 3.36Å; Q145-K149 VanDerWaalsContact O-CG 3.23Å; Q145-K149 WeakPolarHBondContact O-CG 3.36Å; Q145-K149 PolarHBondContact O-N 2.76Å |
| 146 | Y | 82.5 | Confident | 78.3 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.3 | -42 | 175.1 | -90.6 | -107.5 | 0 | 0 | 0 | 111.5 | F97 L142 R143 E144 E148 K149 R150 E260 | F97-Y146 HydrophobicContact CE1-CE2 4.32Å; L142-Y146 HydrophobicContact CD1-CD2 4.26Å; L142-Y146 HydrophobicContact CD1-CE2 3.96Å; L142-Y146 HydrophobicContact CG-CD2 4.45Å; L142-Y146 HydrophobicContact CG-CE2 4.35Å; L142-Y146 WeakPolarHBondContact O-CD2 3.48Å; L142-Y146 PolarHBondContact O-N 2.82Å; R143-Y146 PolarHBondContact O-N 2.99Å; E144-Y146 VanDerWaalsContact C-N 3.28Å; E144-Y146 PolarHBondContact O-N 3.46Å; Y146-E148 PolarHBondContact O-N 3.26Å; Y146-K149 PolarHBondContact O-N 2.87Å; Y146-R150 WeakPolarHBondContact O-CB 3.43Å; Y146-R150 PolarHBondContact O-N 3.4Å; Y146-E260 HydrophobicContact CD1-CB 4.31Å; Y146-E260 HydrophobicContact CE1-CB 4.16Å; Y146-E260 HydrophobicContact CE1-CG 4.32Å |
| 147 | D | 83.3 | Confident | 75.6 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 177.4 | -76.1 | -36 | 0 | 0 | 0 | 112.8 | R143 E144 R150 S151 | R143-D147 PolarHBondContact O-N 2.94Å; E144-D147 PolarHBondContact O-N 3.08Å; D147-R150 PolarHBondContact O-N 3.13Å; D147-S151 WeakPolarHBondContact O-CB 3.38Å; D147-S151 PolarHBondContact O-N 3.14Å; D147-S151 PolarHBondContact O-OG 3.33Å |
| 148 | E | 83.9 | Confident | 73 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.2 | -50.2 | 171.2 | -76.2 | -172.3 | 164.8 | 0 | 0 | 112 | E144 Y146 R150 S151 Q152 | E144-E148 WeakPolarHBondContact O-CG 3.31Å; E144-E148 PolarHBondContact O-N 3Å; Y146-E148 PolarHBondContact O-N 3.26Å; E148-R150 PolarHBondContact O-N 2.89Å; E148-S151 PolarHBondContact O-N 3.47Å; E148-S151 VanDerWaalsContact O-N 3.13Å; E148-Q152 WeakPolarHBondContact O-CG 3.2Å; E148-Q152 PolarHBondContact O-N 2.63Å |
| 149 | K | 79.9 | Confident | 70.8 | Confident | 101 Ų | 101 | 78.7 Ų | 78.7 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.7 | -40 | 176.5 | -75.6 | 168.1 | -172.6 | 161.1 | 0 | 111.4 | Q145 Y146 A153 | Q145-K149 VanDerWaalsContact CD-NZ 3.34Å; Q145-K149 WeakPolarHBondContact O-CD 3.36Å; Q145-K149 VanDerWaalsContact O-CG 3.23Å; Q145-K149 WeakPolarHBondContact O-CG 3.36Å; Q145-K149 PolarHBondContact O-N 2.76Å; Y146-K149 PolarHBondContact O-N 2.87Å; K149-A153 WeakPolarHBondContact O-CB 3.41Å; K149-A153 PolarHBondContact O-N 3.12Å |
| 150 | R | 72.5 | Confident | 68.1 | Low | 103 Ų | 103 | 82.8 Ų | 82.8 | 39% | 0.389 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.2 | -174.9 | -172.4 | -175.1 | 174.8 | 10.7 | 111.9 | Y146 D147 E148 Q152 A153 N154 H257 | Y146-R150 WeakPolarHBondContact O-CB 3.43Å; Y146-R150 PolarHBondContact O-N 3.4Å; D147-R150 PolarHBondContact O-N 3.13Å; E148-R150 PolarHBondContact O-N 2.89Å; R150-Q152 VanDerWaalsContact C-N 3.28Å; R150-Q152 PolarHBondContact O-N 3.21Å; R150-A153 CarbonylContact O-C 3.56Å; R150-A153 PolarHBondContact O-N 2.96Å; R150-A153 VanDerWaalsContact O-N 3.14Å; R150-N154 WeakPolarHBondContact O-CB 3.44Å; R150-N154 PolarHBondContact O-N 3.17Å; R150-H257 PolarHBondContact NH1-CD2 3.24Å; R150-H257 VanDerWaalsContact NH1-CD2 3.25Å; R150-H257 PolarHBondContact NH1-NE2 3.06Å; R150-H257 PolarHBondContact NH2-CD2 3.14Å; R150-H257 VanDerWaalsContact NH2-CD2 3.28Å |
| 151 | S | 70.3 | Confident | 65.5 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 57% | 0.573 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | D147 E148 N154 G155 | D147-S151 WeakPolarHBondContact O-CB 3.38Å; D147-S151 PolarHBondContact O-N 3.14Å; D147-S151 PolarHBondContact O-OG 3.33Å; E148-S151 PolarHBondContact O-N 3.47Å; E148-S151 VanDerWaalsContact O-N 3.13Å; S151-N154 PolarHBondContact O-N 2.92Å; S151-G155 PolarHBondContact O-N 2.68Å |
| 152 | Q | 65.6 | Low | 62.9 | Low | 140 Ų | 140 | 82.4 Ų | 82.4 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 172.9 | -66.9 | 170.5 | 23.2 | 0 | 0 | 112.1 | E148 R150 N154 A156 | E148-Q152 WeakPolarHBondContact O-CG 3.2Å; E148-Q152 PolarHBondContact O-N 2.63Å; R150-Q152 VanDerWaalsContact C-N 3.28Å; R150-Q152 PolarHBondContact O-N 3.21Å; Q152-N154 PolarHBondContact O-N 3.07Å; Q152-A156 PolarHBondContact O-N 2.78Å |
| 153 | A | 59.3 | Low | 60.2 | Low | 46 Ų | 46 | 85 Ų | 85 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.2 | -24.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K149 R150 A156 | K149-A153 WeakPolarHBondContact O-CB 3.41Å; K149-A153 PolarHBondContact O-N 3.12Å; R150-A153 CarbonylContact O-C 3.56Å; R150-A153 PolarHBondContact O-N 2.96Å; R150-A153 VanDerWaalsContact O-N 3.14Å; A153-A156 CarbonylContact C-O 3.42Å; A153-A156 CarbonylContact O-C 3.6Å |
| 154 | N | 46.5 | Very low | 57.7 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -88 | -24.7 | 177 | -75.7 | 5.1 | 0 | 0 | 0 | 112.7 | R150 S151 Q152 | R150-N154 WeakPolarHBondContact O-CB 3.44Å; R150-N154 PolarHBondContact O-N 3.17Å; S151-N154 PolarHBondContact O-N 2.92Å; Q152-N154 PolarHBondContact O-N 3.07Å |
| 155 | G | 40.8 | Very low | 55.3 | Low | 73 Ų | 73 | 90 Ų | 90 | 75% | 0.753 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.1 | -30 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S151 | S151-G155 PolarHBondContact O-N 2.68Å |
| 156 | A | 40.9 | Very low | 53.3 | Low | 52 Ų | 52 | 90.4 Ų | 90.4 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -147.6 | 131.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q152 A153 A158 | Q152-A156 PolarHBondContact O-N 2.78Å; A153-A156 CarbonylContact C-O 3.42Å; A153-A156 CarbonylContact O-C 3.6Å; A156-A158 PolarHBondContact O-N 3.02Å |
| 157 | G | 38.9 | Very low | 51.5 | Low | 79 Ų | 79 | 91.4 Ų | 91.4 | 81% | 0.814 | 55% | 0.553 | S | S | * | * | trans | -69.4 | 57.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L159 | G157-L159 PolarHBondContact O-N 3.36Š| ||
| 158 | A | 37.9 | Very low | 50 | Low | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 57% | 0.573 | S | S | . | * | trans | -84 | 100.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110 | A156 V162 | A156-A158 PolarHBondContact O-N 3.02Å; A158-V162 HydrophobicContact CB-CB 4.43Å | ||
| 159 | L | 46.1 | Very low | 48.7 | Very low | 73 Ų | 73 | 94.7 Ų | 94.7 | 38% | 0.382 | 57% | 0.57 | S | S | . | * | trans | -51.4 | 142.6 | 159.5 | -66.3 | 153.3 | 0 | 0 | 0 | 108.7 | G157 Y161 V162 Y214 | G157-L159 PolarHBondContact O-N 3.36Å; L159-Y161 PolarHBondContact O-N 2.78Å; L159-V162 HydrophobicContact CB-CG2 4.43Å; L159-V162 WeakPolarHBondContact O-CG2 3.32Å; L159-V162 PolarHBondContact O-N 2.92Å; L159-Y214 HydrophobicContact CB-CD1 4.24Å; L159-Y214 HydrophobicContact CB-CE1 4.14Å; L159-Y214 HydrophobicContact CD1-CD1 3.77Å; L159-Y214 HydrophobicContact CD1-CE1 3.82Å; L159-Y214 HydrophobicContact CG-CE1 4.38Å | ||
| 160 | S | 38.1 | Very low | 48.2 | Very low | 123 Ų | 123 | 94.6 Ų | 94.6 | 86% | 0.86 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 11.2 | -164.7 | 62.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 161 | Y | 38.1 | Very low | 48.3 | Very low | 148 Ų | 148 | 91.9 Ų | 91.9 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 7.7 | 177.9 | -94.1 | -80.1 | 0 | 0 | 0 | 113.9 | L159 R237 | L159-Y161 PolarHBondContact O-N 2.78Å; Y161-R237 PolarHBondContact OH-NH1 3.21Å |
| 162 | V | 38.3 | Very low | 48.9 | Very low | 53 Ų | 53 | 94.4 Ų | 94.4 | 32% | 0.321 | 59% | 0.586 | S | S | . | * | trans | -86.1 | 119.2 | -178.2 | 175 | 0 | 0 | 0 | 0 | 111 | A158 L159 T166 | A158-V162 HydrophobicContact CB-CB 4.43Å; L159-V162 HydrophobicContact CB-CG2 4.43Å; L159-V162 WeakPolarHBondContact O-CG2 3.32Å; L159-V162 PolarHBondContact O-N 2.92Å; V162-T166 HydrophobicContact CG1-CG2 3.45Å; V162-T166 VanDerWaalsContact CG1-CG2 3.45Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.46Å | ||
| 163 | S | 34.2 | Very low | 49.9 | Very low | 69 Ų | 69 | 89.5 Ų | 89.5 | 48% | 0.483 | 56% | 0.564 | S | S | . | * | trans | -62.7 | 158.5 | 170.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | N165 | S163-N165 PolarHBondContact O-N 2.87Š| ||
| 164 | P | 37.6 | Very low | 51.5 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -59 | -5.7 | -169.6 | -27.1 | 35.7 | 0 | 0 | 0 | 118 | ||
| 165 | N | 39.4 | Very low | 53.6 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | trans | -113.2 | 79.6 | 177.4 | -77.4 | -9.7 | 0 | 0 | 0 | 111.1 | S163 | S163-N165 PolarHBondContact O-N 2.87Š| ||
| 166 | T | 44.8 | Very low | 56 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | trans | -93 | 80.8 | 156.9 | 13.8 | 0 | 0 | 0 | 0 | 109.6 | V162 | V162-T166 HydrophobicContact CG1-CG2 3.45Å; V162-T166 VanDerWaalsContact CG1-CG2 3.45Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.46Å | ||
| 167 | S | 44.3 | Very low | 58.4 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | trans | -63.3 | 139.2 | 159.8 | 45.8 | 0 | 0 | 0 | 0 | 109 | C169 | S167-C169 PolarHBondContact O-N 3.39Š| ||
| 168 | K | 53.3 | Low | 61 | Low | 207 Ų | 207 | 92.8 Ų | 92.8 | 90% | 0.9 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -73.1 | 31.9 | 172.4 | -61.5 | -177 | 179.2 | 179.3 | 0 | 112.3 | ||
| 169 | C | 56.5 | Low | 63.6 | Low | 71 Ų | 71 | 98 Ų | 98 | 48% | 0.48 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -107.9 | 149.4 | -174 | -70.3 | 0 | 0 | 0 | 0 | 110.6 | S167 V171 | S167-C169 PolarHBondContact O-N 3.39Å; C169-V171 PolarHBondContact O-N 2.98Å |
| 170 | P | 68.1 | Low | 65.9 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | trans | -60.2 | 131.9 | 169.5 | 27.2 | -34.2 | 0 | 0 | 0 | 109.4 | W219 | P170-W219 HydrophobicContact CB-CH2 4.26Å; P170-W219 HydrophobicContact CB-CZ2 4.07Å | ||
| 171 | V | 74.5 | Confident | 68.5 | Low | 46 Ų | 46 | 91.3 Ų | 91.3 | 28% | 0.279 | 49% | 0.49 | S | S | . | . | trans | -101.1 | 135.9 | -177.8 | 172 | 0 | 0 | 0 | 0 | 108.9 | C169 I173 Q215 | C169-V171 PolarHBondContact O-N 2.98Å; V171-I173 PolarHBondContact O-N 2.9Å; V171-I173 VanDerWaalsContact O-N 3.11Å; V171-Q215 HydrophobicContact CB-CG 4.13Å; V171-Q215 HydrophobicContact CG1-CG 4.28Å; V171-Q215 HydrophobicContact CG2-CG 3.82Å; V171-Q215 VanDerWaalsContact CG2-NE2 3.35Å | ||
| 172 | T | 82.9 | Confident | 71.2 | Confident | 135 Ų | 135 | 88.3 Ų | 88.3 | 83% | 0.828 | 48% | 0.484 | S | S | * | . | trans | -65 | 110.1 | 179 | -24.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | I | 88.1 | Confident | 73.8 | Confident | 38 Ų | 38 | 91 Ų | 91 | 20% | 0.195 | 49% | 0.493 | C | S | . | . | trans | -81.6 | 128.9 | 172.9 | -60.9 | 159.4 | 0 | 0 | 0 | 107.8 | V171 Q177 K178 I181 L212 | V171-I173 PolarHBondContact O-N 2.9Å; V171-I173 VanDerWaalsContact O-N 3.11Å; I173-Q177 HydrophobicContact CG2-CB 4.1Å; I173-K178 HydrophobicContact CG2-CB 4.41Å; I173-I181 HydrophobicContact CD1-CB 4.08Å; I173-I181 HydrophobicContact CD1-CG1 4.35Å; I173-I181 HydrophobicContact CD1-CG2 3.68Å; I173-I181 HydrophobicContact CG2-CG1 4.07Å; I173-L212 HydrophobicContact CG2-CD1 4.5Å | ||
| 174 | P | 91.5 | Very high | 76.6 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 30% | 0.299 | 47% | 0.473 | S | S | . | . | trans | -57.3 | 143.2 | 173.8 | -27 | 36.8 | 0 | 0 | 0 | 112.5 | D176 Q177 K178 F208 | P174-D176 WeakPolarHBondContact CB-OD1 3.47Å; P174-D176 PolarHBondContact O-N 3.39Å; P174-D176 VanDerWaalsContact O-N 3.13Å; P174-Q177 PolarHBondContact O-N 2.96Å; P174-K178 PolarHBondContact O-N 3.21Å; P174-F208 HydrophobicContact CG-CE1 4.32Å; P174-F208 HydrophobicContact CG-CZ 4.03Å | ||
| 175 | E | 90.3 | Very high | 79.3 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 66% | 0.659 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.2 | -28.9 | -172.7 | -141.5 | 69.7 | -143.4 | 0 | 0 | 113.1 | K178 | E175-K178 WeakPolarHBondContact OE1-CD 3.27Å; E175-K178 WeakPolarHBondContact OE1-CE 3.37Å; E175-K178 IonicContact OE1-NZ 2.97Å; E175-K178 PolarHBondContact OE1-NZ 3.06Å; E175-K178 IonicContact OE2-NZ 2.87Å |
| 176 | D | 91.4 | Very high | 81.9 | Confident | 115 Ų | 115 | 81.7 Ų | 81.7 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.2 | -26.6 | 174.9 | 64.2 | -64.4 | 0 | 0 | 0 | 113.7 | P174 | P174-D176 WeakPolarHBondContact CB-OD1 3.47Å; P174-D176 PolarHBondContact O-N 3.39Å; P174-D176 VanDerWaalsContact O-N 3.13Å |
| 177 | Q | 92.9 | Very high | 84.2 | Confident | 27 Ų | 27 | 82.8 Ų | 82.8 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -98.4 | -10.9 | 177.3 | -59.3 | -52.8 | -50.3 | 0 | 0 | 113.4 | I173 P174 K179 F180 I181 F208 L212 | I173-Q177 HydrophobicContact CG2-CB 4.1Å; P174-Q177 PolarHBondContact O-N 2.96Å; Q177-K179 PolarHBondContact O-N 3.36Å; Q177-F180 WeakPolarHBondContact O-CB 3.32Å; Q177-F180 PolarHBondContact O-N 3.37Å; Q177-F180 VanDerWaalsContact O-N 3.13Å; Q177-I181 PolarHBondContact O-N 3.23Å; Q177-F208 HydrophobicContact CG-CD1 4.25Å; Q177-F208 HydrophobicContact CG-CE1 3.86Å; Q177-L212 HydrophobicContact CB-CD1 3.65Å; Q177-L212 HydrophobicContact CG-CD1 3.8Å |
| 178 | K | 91.9 | Very high | 86.4 | Confident | 89 Ų | 89 | 79.5 Ų | 79.5 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56 | -54.1 | -175.4 | -169.9 | 170 | 179.6 | 172.5 | 0 | 112.7 | I173 P174 E175 F180 I181 D182 | I173-K178 HydrophobicContact CG2-CB 4.41Å; P174-K178 PolarHBondContact O-N 3.21Å; E175-K178 WeakPolarHBondContact OE1-CD 3.27Å; E175-K178 WeakPolarHBondContact OE1-CE 3.37Å; E175-K178 IonicContact OE1-NZ 2.97Å; E175-K178 PolarHBondContact OE1-NZ 3.06Å; E175-K178 IonicContact OE2-NZ 2.87Å; K178-F180 PolarHBondContact O-N 3.44Å; K178-I181 PolarHBondContact O-N 2.83Å; K178-I181 VanDerWaalsContact O-N 3.11Å; K178-D182 VanDerWaalsContact O-CG 3.22Å; K178-D182 PolarHBondContact O-N 3.01Å |
| 179 | K | 93.8 | Very high | 88.2 | Confident | 164 Ų | 164 | 72.9 Ų | 72.9 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.3 | -37.5 | 175.8 | -71.6 | -170.4 | 176.2 | -174.5 | 0 | 113.4 | Q177 Q183 | Q177-K179 PolarHBondContact O-N 3.36Å; K179-Q183 WeakPolarHBondContact O-CB 3.45Å; K179-Q183 VanDerWaalsContact O-CG 3.25Å; K179-Q183 WeakPolarHBondContact O-CG 3.38Å; K179-Q183 PolarHBondContact O-N 3.31Å |
| 180 | F | 94.1 | Very high | 89.8 | Confident | 53 Ų | 53 | 74.2 Ų | 74.2 | 23% | 0.232 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 178.9 | 169.2 | -91.6 | 0 | 0 | 0 | 111.3 | Q177 K178 Q183 V184 C205 Q209 I213 | Q177-F180 WeakPolarHBondContact O-CB 3.32Å; Q177-F180 PolarHBondContact O-N 3.37Å; Q177-F180 VanDerWaalsContact O-N 3.13Å; K178-F180 PolarHBondContact O-N 3.44Å; F180-Q183 PolarHBondContact O-N 3.28Å; F180-V184 HydrophobicContact CE1-CG2 4.16Å; F180-V184 HydrophobicContact CE2-CG2 4.44Å; F180-V184 HydrophobicContact CZ-CG2 4.07Å; F180-V184 WeakPolarHBondContact O-CG2 3.46Å; F180-V184 PolarHBondContact O-N 3.08Å; F180-C205 HydrophobicContact CE2-CB 4.45Å; F180-C205 HydrophobicContact CZ-CB 3.86Å; F180-Q209 HydrophobicContact CD1-CB 4.27Å; F180-Q209 HydrophobicContact CD1-CG 3.87Å; F180-Q209 HydrophobicContact CE1-CB 3.58Å; F180-Q209 HydrophobicContact CE1-CG 3.67Å; F180-Q209 HydrophobicContact CZ-CB 3.95Å; F180-Q209 HydrophobicContact CZ-CG 4.13Å; F180-I213 HydrophobicContact CE1-CD1 3.79Å; F180-I213 HydrophobicContact CE1-CG1 4.13Å; F180-I213 HydrophobicContact CZ-CD1 3.94Å |
| 181 | I | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 176.8 | -61.4 | -62.8 | 0 | 0 | 0 | 111.5 | I173 Q177 K178 Q183 V184 V185 L212 I213 T216 | I173-I181 HydrophobicContact CD1-CB 4.08Å; I173-I181 HydrophobicContact CD1-CG1 4.35Å; I173-I181 HydrophobicContact CD1-CG2 3.68Å; I173-I181 HydrophobicContact CG2-CG1 4.07Å; Q177-I181 PolarHBondContact O-N 3.23Å; K178-I181 PolarHBondContact O-N 2.83Å; K178-I181 VanDerWaalsContact O-N 3.11Å; I181-Q183 PolarHBondContact O-N 3.07Å; I181-V184 PolarHBondContact O-N 3.35Å; I181-V185 HydrophobicContact CG2-CG2 4.42Å; I181-V185 WeakPolarHBondContact O-CB 3.32Å; I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 2.73Å; I181-L212 HydrophobicContact CD1-CB 3.7Å; I181-L212 HydrophobicContact CG1-CB 4.21Å; I181-I213 HydrophobicContact CD1-CG1 3.7Å; I181-T216 HydrophobicContact CG2-CG2 3.88Å |
| 182 | D | 93.2 | Very high | 91.5 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.6 | -65.9 | -30.3 | 0 | 0 | 0 | 111.1 | K178 V184 V185 E186 | K178-D182 VanDerWaalsContact O-CG 3.22Å; K178-D182 PolarHBondContact O-N 3.01Å; D182-V184 PolarHBondContact O-N 3.43Å; D182-V185 WeakPolarHBondContact O-CB 3.49Å; D182-V185 PolarHBondContact O-N 3.06Å; D182-E186 WeakPolarHBondContact O-CB 3.43Å; D182-E186 PolarHBondContact O-N 3.38Å |
| 183 | Q | 94.1 | Very high | 91.7 | Very high | 111 Ų | 111 | 71.4 Ų | 71.4 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 173.7 | -74.9 | 171.8 | -10.9 | 0 | 0 | 113.5 | K179 F180 I181 K187 | K179-Q183 WeakPolarHBondContact O-CB 3.45Å; K179-Q183 VanDerWaalsContact O-CG 3.25Å; K179-Q183 WeakPolarHBondContact O-CG 3.38Å; K179-Q183 PolarHBondContact O-N 3.31Å; F180-Q183 PolarHBondContact O-N 3.28Å; I181-Q183 PolarHBondContact O-N 3.07Å; Q183-K187 WeakPolarHBondContact O-CG 3.3Å; Q183-K187 PolarHBondContact O-N 3.03Å |
| 184 | V | 93.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.5 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | F180 I181 D182 I188 L202 I213 | F180-V184 HydrophobicContact CE1-CG2 4.16Å; F180-V184 HydrophobicContact CE2-CG2 4.44Å; F180-V184 HydrophobicContact CZ-CG2 4.07Å; F180-V184 WeakPolarHBondContact O-CG2 3.46Å; F180-V184 PolarHBondContact O-N 3.08Å; I181-V184 PolarHBondContact O-N 3.35Å; D182-V184 PolarHBondContact O-N 3.43Å; V184-I188 HydrophobicContact CG1-CD1 3.9Å; V184-I188 VanDerWaalsContact O-CD1 3.27Å; V184-I188 WeakPolarHBondContact O-CD1 3.38Å; V184-I188 WeakPolarHBondContact O-CG1 3.23Å; V184-I188 PolarHBondContact O-N 2.91Å; V184-L202 HydrophobicContact CG1-CD1 3.59Å; V184-L202 HydrophobicContact CG1-CD2 4.29Å; V184-L202 HydrophobicContact CG2-CD1 4.28Å; V184-L202 HydrophobicContact CG2-CD2 4.47Å; V184-I213 HydrophobicContact CG1-CD1 4.34Å; V184-I213 HydrophobicContact CG1-CG1 4.19Å; V184-I213 HydrophobicContact CG1-CG2 4.35Å; V184-I213 HydrophobicContact CG2-CD1 4.17Å; V184-I213 HydrophobicContact CG2-CG1 4.48Å |
| 185 | V | 92.7 | Very high | 91 | Very high | 14 Ų | 14 | 77.5 Ų | 77.5 | 9% | 0.085 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.7 | 155.8 | 0 | 0 | 0 | 0 | 111.5 | I181 D182 I188 E189 T216 K220 | I181-V185 HydrophobicContact CG2-CG2 4.42Å; I181-V185 WeakPolarHBondContact O-CB 3.32Å; I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 2.73Å; D182-V185 WeakPolarHBondContact O-CB 3.49Å; D182-V185 PolarHBondContact O-N 3.06Å; V185-I188 WeakPolarHBondContact O-CB 3.28Å; V185-I188 PolarHBondContact O-N 3.37Å; V185-E189 PolarHBondContact O-N 3.31Å; V185-T216 HydrophobicContact CG2-CG2 4.4Å; V185-K220 HydrophobicContact CG2-CD 4.21Å |
| 186 | E | 93.9 | Very high | 90.5 | Very high | 122 Ų | 122 | 79.4 Ų | 79.4 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.1 | -51.2 | -179.9 | -173.2 | 173.5 | -159.1 | 0 | 0 | 111 | D182 I188 E189 D190 | D182-E186 WeakPolarHBondContact O-CB 3.43Å; D182-E186 PolarHBondContact O-N 3.38Å; E186-I188 PolarHBondContact O-N 2.84Å; E186-I188 VanDerWaalsContact O-N 3.13Å; E186-E189 PolarHBondContact O-N 3.34Å; E186-E189 VanDerWaalsContact O-N 3.08Å; E186-D190 PolarHBondContact O-N 3.41Å |
| 187 | K | 93 | Very high | 89.7 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.4 | -29.8 | 174.5 | -67.5 | 177.7 | 176.6 | -168.6 | 0 | 113.9 | Q183 L191 L200 L202 | Q183-K187 WeakPolarHBondContact O-CG 3.3Å; Q183-K187 PolarHBondContact O-N 3.03Å; K187-L191 PolarHBondContact O-N 3.45Å; K187-L191 VanDerWaalsContact O-N 3.12Å; K187-L200 HydrophobicContact CB-CD1 4.17Å; K187-L200 HydrophobicContact CB-CD2 3.72Å; K187-L200 HydrophobicContact CD-CD1 4.49Å; K187-L202 HydrophobicContact CD-CD2 4.31Å |
| 188 | I | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -78.1 | -39.4 | 178.1 | -67.1 | 162.7 | 0 | 0 | 0 | 110.8 | V184 V185 E186 D190 L191 L192 L200 L217 Y221 I225 I241 | V184-I188 HydrophobicContact CG1-CD1 3.9Å; V184-I188 VanDerWaalsContact O-CD1 3.27Å; V184-I188 WeakPolarHBondContact O-CD1 3.38Å; V184-I188 WeakPolarHBondContact O-CG1 3.23Å; V184-I188 PolarHBondContact O-N 2.91Å; V185-I188 WeakPolarHBondContact O-CB 3.28Å; V185-I188 PolarHBondContact O-N 3.37Å; E186-I188 PolarHBondContact O-N 2.84Å; E186-I188 VanDerWaalsContact O-N 3.13Å; I188-D190 VanDerWaalsContact C-N 3.32Å; I188-L191 WeakPolarHBondContact O-CB 3.39Å; I188-L191 PolarHBondContact O-N 3.35Å; I188-L192 HydrophobicContact CG2-CD1 3.66Å; I188-L192 WeakPolarHBondContact O-CD1 3.35Å; I188-L192 PolarHBondContact O-N 2.92Å; I188-L200 HydrophobicContact CG1-CD2 3.79Å; I188-L217 HydrophobicContact CD1-CD1 4.04Å; I188-L217 HydrophobicContact CD1-CD2 3.4Å; I188-L217 HydrophobicContact CD1-CG 4.37Å; I188-Y221 HydrophobicContact CB-CE2 4.39Å; I188-Y221 HydrophobicContact CD1-CE2 4.42Å; I188-Y221 HydrophobicContact CG2-CD2 4.23Å; I188-Y221 HydrophobicContact CG2-CE1 4.27Å; I188-Y221 HydrophobicContact CG2-CE2 3.69Å; I188-I225 HydrophobicContact CG2-CD1 4.47Å; I188-I241 HydrophobicContact CD1-CD1 3.36Å; I188-I241 HydrophobicContact CG1-CD1 3.67Å |
| 189 | E | 91.2 | Very high | 89.1 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 172.9 | -65.7 | -70.2 | 179 | 0 | 0 | 110.9 | V185 E186 L191 L192 Q193 Y221 | V185-E189 PolarHBondContact O-N 3.31Å; E186-E189 PolarHBondContact O-N 3.34Å; E186-E189 VanDerWaalsContact O-N 3.08Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3Å; E189-L192 PolarHBondContact O-N 2.8Å; E189-Q193 WeakPolarHBondContact O-CG 3.28Å; E189-Q193 PolarHBondContact O-N 3.48Å; E189-Y221 PolarHBondContact OE1-OH 3.26Å; E189-Y221 VanDerWaalsContact OE1-OH 3.06Å |
| 190 | D | 91.3 | Very high | 89 | Confident | 99 Ų | 99 | 78.3 Ų | 78.3 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 172.5 | -67.9 | -23 | 0 | 0 | 0 | 111.8 | E186 I188 Q193 S194 | E186-D190 PolarHBondContact O-N 3.41Å; I188-D190 VanDerWaalsContact C-N 3.32Å; D190-Q193 PolarHBondContact O-N 2.58Å; D190-S194 WeakPolarHBondContact O-CB 3.41Å; D190-S194 PolarHBondContact O-N 2.72Å |
| 191 | L | 89.9 | Confident | 89 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.8 | 178.7 | 71.7 | 0 | 0 | 0 | 111.2 | K187 I188 E189 Q193 S194 N197 L200 I241 K243 | K187-L191 PolarHBondContact O-N 3.45Å; K187-L191 VanDerWaalsContact O-N 3.12Å; I188-L191 WeakPolarHBondContact O-CB 3.39Å; I188-L191 PolarHBondContact O-N 3.35Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3Å; L191-Q193 VanDerWaalsContact C-N 3.28Å; L191-Q193 PolarHBondContact O-N 3.37Å; L191-S194 PolarHBondContact O-N 2.83Å; L191-N197 HydrophobicContact CD1-CB 3.94Å; L191-N197 WeakPolarHBondContact CD1-O 3.36Å; L191-L200 HydrophobicContact CD1-CB 4.39Å; L191-L200 HydrophobicContact CD2-CB 3.83Å; L191-L200 HydrophobicContact CG-CB 4.48Å; L191-I241 HydrophobicContact CD2-CG2 4.17Å; L191-K243 HydrophobicContact CD1-CD 4.21Å; L191-K243 HydrophobicContact CD1-CG 4.17Å; L191-K243 HydrophobicContact CD2-CG 4.04Å; L191-K243 HydrophobicContact CG-CD 4.08Å; L191-K243 HydrophobicContact CG-CG 3.8Å; L191-K243 VanDerWaalsContact O-CD 3.31Å; L191-K243 WeakPolarHBondContact O-CD 3.33Å; L191-K243 WeakPolarHBondContact O-CE 3.23Å; L191-K243 PolarHBondContact O-NZ 3.38Å |
| 192 | L | 87.4 | Confident | 89 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 179.4 | -93.5 | 79.8 | 0 | 0 | 0 | 112.1 | I188 E189 I225 K243 | I188-L192 HydrophobicContact CG2-CD1 3.66Å; I188-L192 WeakPolarHBondContact O-CD1 3.35Å; I188-L192 PolarHBondContact O-N 2.92Å; E189-L192 PolarHBondContact O-N 2.8Å; L192-I225 HydrophobicContact CD1-CG2 3.77Å; L192-K243 VanDerWaalsContact C-NZ 3.34Å; L192-K243 PolarHBondContact O-NZ 2.81Å |
| 193 | Q | 88.1 | Confident | 88.9 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -81.8 | -20.5 | 179 | -67.2 | 174 | 51.2 | 0 | 0 | 114 | E189 D190 L191 | E189-Q193 WeakPolarHBondContact O-CG 3.28Å; E189-Q193 PolarHBondContact O-N 3.48Å; D190-Q193 PolarHBondContact O-N 2.58Å; L191-Q193 VanDerWaalsContact C-N 3.28Å; L191-Q193 PolarHBondContact O-N 3.37Å |
| 194 | S | 86.8 | Confident | 88.8 | Confident | 33 Ų | 33 | 81.5 Ų | 81.5 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | trans | -76.5 | 126.6 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | D190 L191 E196 N197 K243 | D190-S194 WeakPolarHBondContact O-CB 3.41Å; D190-S194 PolarHBondContact O-N 2.72Å; L191-S194 PolarHBondContact O-N 2.83Å; S194-E196 PolarHBondContact OG-N 2.98Å; S194-N197 PolarHBondContact OG-N 2.83Å; S194-N197 VanDerWaalsContact OG-N 3.12Å; S194-K243 PolarHBondContact O-NZ 3.49Å | ||
| 195 | E | 78.4 | Confident | 88.6 | Confident | 179 Ų | 179 | 82.1 Ų | 82.1 | 84% | 0.836 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -76.5 | -24.9 | 169.5 | -73.4 | -64.9 | 134.5 | 0 | 0 | 112.8 | ||
| 196 | E | 78.2 | Confident | 88.6 | Confident | 181 Ų | 181 | 85.2 Ų | 85.2 | 85% | 0.846 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -93.3 | -40.1 | -170.2 | -162.9 | 168.8 | -149.1 | 0 | 0 | 112.5 | S194 | S194-E196 PolarHBondContact OG-N 2.98Š|
| 197 | N | 75.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | trans | -84.2 | 122.1 | 177.3 | -80.8 | -17.6 | 0 | 0 | 0 | 111.8 | L191 S194 K243 | L191-N197 HydrophobicContact CD1-CB 3.94Å; L191-N197 WeakPolarHBondContact CD1-O 3.36Å; S194-N197 PolarHBondContact OG-N 2.83Å; S194-N197 VanDerWaalsContact OG-N 3.12Å; N197-K243 WeakPolarHBondContact O-CD 3.37Å | ||
| 198 | K | 81.3 | Confident | 88.2 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | trans | -99.4 | -22.2 | 173.7 | -65.4 | -157.1 | 175 | -165.8 | 0 | 114.8 | S242 K243 | K198-S242 CarbonylContact O-C 3.59Å; K198-S242 WeakPolarHBondContact O-CA 3.45Å; K198-K243 PolarHBondContact O-N 2.92Å | ||
| 199 | N | 89.6 | Confident | 88.2 | Confident | 93 Ų | 93 | 83.8 Ų | 83.8 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.5 | -179.6 | -68.3 | 0.2 | 0 | 0 | 0 | 111 | I241 S242 | N199-I241 CarbonylContact C-O 3.57Å; N199-I241 WeakPolarHBondContact CA-O 3.33Å; N199-S242 WeakPolarHBondContact OD1-CB 3.46Å |
| 200 | L | 92.3 | Very high | 88.2 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 16% | 0.162 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.2 | 171.3 | 169.2 | 68.7 | 0 | 0 | 0 | 108.5 | K187 I188 L191 L202 I241 | K187-L200 HydrophobicContact CB-CD1 4.17Å; K187-L200 HydrophobicContact CB-CD2 3.72Å; K187-L200 HydrophobicContact CD-CD1 4.49Å; I188-L200 HydrophobicContact CG1-CD2 3.79Å; L191-L200 HydrophobicContact CD1-CB 4.39Å; L191-L200 HydrophobicContact CD2-CB 3.83Å; L191-L200 HydrophobicContact CG-CB 4.48Å; L200-L202 HydrophobicContact CD1-CD2 4.49Å; L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CG-CD2 4.02Å; L200-I241 HydrophobicContact CB-CB 4.41Å; L200-I241 PolarHBondContact N-O 3.25Å; L200-I241 PolarHBondContact O-N 2.63Å |
| 201 | D | 93.3 | Very high | 88 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.1 | 171.1 | -62 | -27.9 | 0 | 0 | 0 | 109 | Y238 V240 | D201-Y238 HydrophobicContact CB-CD2 4.34Å; D201-Y238 HydrophobicContact CB-CE2 4.16Å; D201-V240 WeakPolarHBondContact OD1-CG2 3.2Å |
| 202 | L | 92.9 | Very high | 88.1 | Confident | 9 Ų | 9 | 83 Ų | 83 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.1 | 172.6 | -59.7 | -177.9 | 0 | 0 | 0 | 109.8 | V184 K187 L200 I213 Y238 I239 I241 | V184-L202 HydrophobicContact CG1-CD1 3.59Å; V184-L202 HydrophobicContact CG1-CD2 4.29Å; V184-L202 HydrophobicContact CG2-CD1 4.28Å; V184-L202 HydrophobicContact CG2-CD2 4.47Å; K187-L202 HydrophobicContact CD-CD2 4.31Å; L200-L202 HydrophobicContact CD1-CD2 4.49Å; L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CG-CD2 4.02Å; L202-I213 HydrophobicContact CD1-CD1 4.09Å; L202-I213 HydrophobicContact CD1-CG2 4.41Å; L202-Y238 WeakPolarHBondContact O-CB 3.42Å; L202-I239 HydrophobicContact CB-CB 4.24Å; L202-I239 HydrophobicContact CD1-CB 4.16Å; L202-I239 HydrophobicContact CD1-CG2 4.25Å; L202-I239 PolarHBondContact N-O 2.88Å; L202-I241 HydrophobicContact CD1-CD1 3.85Å; L202-I241 HydrophobicContact CG-CD1 4.34Å |
| 203 | E | 91.1 | Very high | 88.2 | Confident | 149 Ų | 149 | 80 Ų | 80 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 147.5 | 175.1 | -65.7 | -61.3 | 160.2 | 0 | 0 | 112.7 | C205 | E203-C205 PolarHBondContact O-N 3.03Š|
| 204 | P | 92.1 | Very high | 88.2 | Confident | 63 Ų | 63 | 74.4 Ų | 74.4 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 125.9 | 175.2 | -25.5 | 33.5 | 0 | 0 | 0 | 112.1 | E236 | P204-E236 HydrophobicContact CB-CB 4.46Å; P204-E236 HydrophobicContact CG-CB 4.16Å |
| 205 | C | 91.1 | Very high | 88.1 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -127.2 | 164.6 | -176 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | F180 E203 Q209 | F180-C205 HydrophobicContact CE2-CB 4.45Å; F180-C205 HydrophobicContact CZ-CB 3.86Å; E203-C205 PolarHBondContact O-N 3.03Å; C205-Q209 HydrophobicContact CB-CB 3.91Å | ||
| 206 | T | 91.3 | Very high | 88.6 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | trans | -62.2 | 156.2 | 178 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | F208 Q209 R210 | T206-F208 PolarHBondContact O-N 2.79Å; T206-F208 VanDerWaalsContact O-N 3.15Å; T206-Q209 PolarHBondContact O-N 2.87Å; T206-Q209 VanDerWaalsContact O-N 3.12Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.23Å; T206-Q209 VanDerWaalsContact OG1-CD 3.3Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.47Å; T206-Q209 PolarHBondContact OG1-N 3.19Å; T206-Q209 PolarHBondContact OG1-OE1 3.14Å; T206-R210 PolarHBondContact O-N 2.83Å | ||
| 207 | G | 88.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -28.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K211 | G207-K211 PolarHBondContact O-N 3.2Å |
| 208 | F | 90.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.2 | -47.6 | 174.1 | -176.8 | -121.4 | 0 | 0 | 0 | 112.1 | P174 Q177 T206 R210 K211 L212 | P174-F208 HydrophobicContact CG-CE1 4.32Å; P174-F208 HydrophobicContact CG-CZ 4.03Å; Q177-F208 HydrophobicContact CG-CD1 4.25Å; Q177-F208 HydrophobicContact CG-CE1 3.86Å; T206-F208 PolarHBondContact O-N 2.79Å; T206-F208 VanDerWaalsContact O-N 3.15Å; F208-R210 PolarHBondContact O-N 2.67Å; F208-K211 WeakPolarHBondContact O-CB 3.46Å; F208-K211 PolarHBondContact O-N 3.4Å; F208-K211 VanDerWaalsContact O-N 3.12Å; F208-L212 HydrophobicContact CD1-CD1 4.12Å; F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE1-CG 4.45Å; F208-L212 HydrophobicContact CE2-CG 4.44Å; F208-L212 HydrophobicContact CZ-CD1 3.94Å; F208-L212 HydrophobicContact CZ-CD2 4.42Å; F208-L212 HydrophobicContact CZ-CG 4.28Å; F208-L212 PolarHBondContact O-N 3.5Å |
| 209 | Q | 91.4 | Very high | 89.5 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 174 | -78.8 | 162.9 | -30.7 | 0 | 0 | 112 | F180 C205 T206 K211 L212 I213 | F180-Q209 HydrophobicContact CD1-CB 4.27Å; F180-Q209 HydrophobicContact CD1-CG 3.87Å; F180-Q209 HydrophobicContact CE1-CB 3.58Å; F180-Q209 HydrophobicContact CE1-CG 3.67Å; F180-Q209 HydrophobicContact CZ-CB 3.95Å; F180-Q209 HydrophobicContact CZ-CG 4.13Å; C205-Q209 HydrophobicContact CB-CB 3.91Å; T206-Q209 PolarHBondContact O-N 2.87Å; T206-Q209 VanDerWaalsContact O-N 3.12Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.23Å; T206-Q209 VanDerWaalsContact OG1-CD 3.3Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.47Å; T206-Q209 PolarHBondContact OG1-N 3.19Å; T206-Q209 PolarHBondContact OG1-OE1 3.14Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.32Å; Q209-L212 PolarHBondContact O-N 3.29Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; Q209-I213 WeakPolarHBondContact O-CG1 3.37Å; Q209-I213 PolarHBondContact O-N 3.21Å |
| 210 | R | 90.7 | Very high | 89.3 | Confident | 37 Ų | 37 | 54 Ų | 54 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 174 | 179.3 | 168.6 | 68 | -141.3 | -1.5 | 111.8 | T206 F208 I213 Y214 I239 | T206-R210 PolarHBondContact O-N 2.83Å; F208-R210 PolarHBondContact O-N 2.67Å; R210-I213 PolarHBondContact O-N 3.29Å; R210-Y214 HydrophobicContact CG-CD2 3.88Å; R210-Y214 HydrophobicContact CG-CE2 3.9Å; R210-Y214 WeakPolarHBondContact O-CD2 3.37Å; R210-Y214 PolarHBondContact O-N 3.2Å; R210-I239 HydrophobicContact CB-CD1 4.17Å; R210-I239 HydrophobicContact CG-CD1 3.8Å; R210-I239 HydrophobicContact CG-CG1 4.3Å |
| 211 | K | 88.3 | Confident | 89 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 175.4 | -176.4 | -179.5 | 177.6 | 179.5 | 0 | 111.5 | G207 F208 Q209 I213 Y214 Q215 | G207-K211 PolarHBondContact O-N 3.2Å; F208-K211 WeakPolarHBondContact O-CB 3.46Å; F208-K211 PolarHBondContact O-N 3.4Å; F208-K211 VanDerWaalsContact O-N 3.12Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.32Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 2.86Å; K211-Y214 PolarHBondContact O-N 2.85Å; K211-Q215 WeakPolarHBondContact O-CB 3.44Å; K211-Q215 PolarHBondContact O-N 2.9Å |
| 212 | L | 90.3 | Very high | 88.2 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.3 | -70.1 | 175.1 | 0 | 0 | 0 | 112.4 | I173 Q177 I181 F208 Q209 T216 | I173-L212 HydrophobicContact CG2-CD1 4.5Å; Q177-L212 HydrophobicContact CB-CD1 3.65Å; Q177-L212 HydrophobicContact CG-CD1 3.8Å; I181-L212 HydrophobicContact CD1-CB 3.7Å; I181-L212 HydrophobicContact CG1-CB 4.21Å; F208-L212 HydrophobicContact CD1-CD1 4.12Å; F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE1-CG 4.45Å; F208-L212 HydrophobicContact CE2-CG 4.44Å; F208-L212 HydrophobicContact CZ-CD1 3.94Å; F208-L212 HydrophobicContact CZ-CD2 4.42Å; F208-L212 HydrophobicContact CZ-CG 4.28Å; F208-L212 PolarHBondContact O-N 3.5Å; Q209-L212 PolarHBondContact O-N 3.29Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; L212-T216 VanDerWaalsContact O-CB 3.27Å; L212-T216 WeakPolarHBondContact O-CB 3.39Å; L212-T216 PolarHBondContact O-N 3.22Å; L212-T216 PolarHBondContact O-OG1 2.88Å |
| 213 | I | 90.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -60.4 | 174 | -67.7 | 167.7 | 0 | 0 | 0 | 109.6 | F180 I181 V184 L202 Q209 R210 K211 Q215 T216 L217 I239 | F180-I213 HydrophobicContact CE1-CD1 3.79Å; F180-I213 HydrophobicContact CE1-CG1 4.13Å; F180-I213 HydrophobicContact CZ-CD1 3.94Å; I181-I213 HydrophobicContact CD1-CG1 3.7Å; V184-I213 HydrophobicContact CG1-CD1 4.34Å; V184-I213 HydrophobicContact CG1-CG1 4.19Å; V184-I213 HydrophobicContact CG1-CG2 4.35Å; V184-I213 HydrophobicContact CG2-CD1 4.17Å; V184-I213 HydrophobicContact CG2-CG1 4.48Å; L202-I213 HydrophobicContact CD1-CD1 4.09Å; L202-I213 HydrophobicContact CD1-CG2 4.41Å; Q209-I213 WeakPolarHBondContact O-CG1 3.37Å; Q209-I213 PolarHBondContact O-N 3.21Å; R210-I213 PolarHBondContact O-N 3.29Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 2.86Å; I213-Q215 PolarHBondContact O-N 3.17Å; I213-T216 PolarHBondContact O-N 3.38Å; I213-L217 HydrophobicContact CG2-CD1 3.64Å; I213-L217 HydrophobicContact CG2-CG 4.1Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.29Å; I213-L217 PolarHBondContact O-N 3.36Å; I213-I239 HydrophobicContact CB-CD1 4.15Å; I213-I239 HydrophobicContact CD1-CD1 3.63Å; I213-I239 HydrophobicContact CG2-CD1 3.96Å |
| 214 | Y | 87.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.6 | -43 | -179.4 | -87.9 | -107.4 | 0 | 0 | 0 | 112.2 | L159 R210 K211 S218 V227 E228 T229 I239 | L159-Y214 HydrophobicContact CB-CD1 4.24Å; L159-Y214 HydrophobicContact CB-CE1 4.14Å; L159-Y214 HydrophobicContact CD1-CD1 3.77Å; L159-Y214 HydrophobicContact CD1-CE1 3.82Å; L159-Y214 HydrophobicContact CG-CE1 4.38Å; R210-Y214 HydrophobicContact CG-CD2 3.88Å; R210-Y214 HydrophobicContact CG-CE2 3.9Å; R210-Y214 WeakPolarHBondContact O-CD2 3.37Å; R210-Y214 PolarHBondContact O-N 3.2Å; K211-Y214 PolarHBondContact O-N 2.85Å; Y214-S218 WeakPolarHBondContact O-CB 3.47Å; Y214-S218 PolarHBondContact O-N 3.34Å; Y214-S218 VanDerWaalsContact O-N 3.09Å; Y214-V227 HydrophobicContact CD2-CG1 4.44Å; Y214-V227 HydrophobicContact CE1-CG1 4.22Å; Y214-V227 HydrophobicContact CE2-CG1 3.94Å; Y214-E228 WeakPolarHBondContact OH-CA 3.35Å; Y214-T229 PolarHBondContact OH-N 3.07Å; Y214-T229 PolarHBondContact OH-OG1 3.42Å; Y214-I239 HydrophobicContact CD2-CD1 4.49Å; Y214-I239 HydrophobicContact CE2-CD1 4.19Å; Y214-I239 HydrophobicContact CE2-CG1 4.39Å; Y214-I239 HydrophobicContact CE2-CG2 4.45Å |
| 215 | Q | 85.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 178.1 | -168.5 | 159.6 | 21.4 | 0 | 0 | 112.4 | V171 K211 I213 S218 W219 | V171-Q215 HydrophobicContact CB-CG 4.13Å; V171-Q215 HydrophobicContact CG1-CG 4.28Å; V171-Q215 HydrophobicContact CG2-CG 3.82Å; V171-Q215 VanDerWaalsContact CG2-NE2 3.35Å; K211-Q215 WeakPolarHBondContact O-CB 3.44Å; K211-Q215 PolarHBondContact O-N 2.9Å; I213-Q215 PolarHBondContact O-N 3.17Å; Q215-S218 PolarHBondContact O-OG 3.2Å; Q215-W219 VanDerWaalsContact O-CD1 3.24Å |
| 216 | T | 89.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 112 | I181 V185 L212 I213 S218 W219 K220 | I181-T216 HydrophobicContact CG2-CG2 3.88Å; V185-T216 HydrophobicContact CG2-CG2 4.4Å; L212-T216 VanDerWaalsContact O-CB 3.27Å; L212-T216 WeakPolarHBondContact O-CB 3.39Å; L212-T216 PolarHBondContact O-N 3.22Å; L212-T216 PolarHBondContact O-OG1 2.88Å; I213-T216 PolarHBondContact O-N 3.38Å; T216-S218 VanDerWaalsContact C-N 3.31Å; T216-S218 PolarHBondContact O-N 3.17Å; T216-W219 PolarHBondContact O-N 3.46Å; T216-W219 PolarHBondContact O-NE1 3.3Å; T216-K220 VanDerWaalsContact O-CB 3.29Å; T216-K220 WeakPolarHBondContact O-CB 3.46Å; T216-K220 PolarHBondContact O-N 3.33Å |
| 217 | L | 88.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | -177.4 | -57.9 | -176.2 | 0 | 0 | 0 | 111.9 | I188 I213 W219 K220 Y221 I225 V227 I241 | I188-L217 HydrophobicContact CD1-CD1 4.04Å; I188-L217 HydrophobicContact CD1-CD2 3.4Å; I188-L217 HydrophobicContact CD1-CG 4.37Å; I213-L217 HydrophobicContact CG2-CD1 3.64Å; I213-L217 HydrophobicContact CG2-CG 4.1Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.29Å; I213-L217 PolarHBondContact O-N 3.36Å; L217-W219 VanDerWaalsContact C-N 3.27Å; L217-W219 PolarHBondContact O-N 2.88Å; L217-K220 PolarHBondContact O-N 3.06Å; L217-Y221 HydrophobicContact CB-CD2 4.48Å; L217-Y221 HydrophobicContact CD2-CD2 3.52Å; L217-Y221 HydrophobicContact CD2-CE2 3.6Å; L217-Y221 CarbonylContact O-C 3.48Å; L217-Y221 PolarHBondContact O-N 2.97Å; L217-I225 HydrophobicContact CB-CD1 4.41Å; L217-I225 HydrophobicContact CD1-CD1 4.32Å; L217-I225 HydrophobicContact CD2-CD1 4.49Å; L217-V227 HydrophobicContact CD1-CG1 4.2Å; L217-V227 HydrophobicContact CD1-CG2 3.68Å; L217-I241 HydrophobicContact CD1-CD1 3.69Å |
| 218 | S | 83.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.3 | -30.1 | -179.6 | 72.4 | 0 | 0 | 0 | 0 | 115.5 | Y214 Q215 T216 | Y214-S218 WeakPolarHBondContact O-CB 3.47Å; Y214-S218 PolarHBondContact O-N 3.34Å; Y214-S218 VanDerWaalsContact O-N 3.09Å; Q215-S218 PolarHBondContact O-OG 3.2Å; T216-S218 VanDerWaalsContact C-N 3.31Å; T216-S218 PolarHBondContact O-N 3.17Å |
| 219 | W | 81.2 | Confident | 86.1 | Confident | 100 Ų | 100 | 48.5 Ų | 48.5 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -104.2 | -31.7 | 176.6 | 71.2 | -97 | 0 | 0 | 0 | 112.6 | P170 Q215 T216 L217 | P170-W219 HydrophobicContact CB-CH2 4.26Å; P170-W219 HydrophobicContact CB-CZ2 4.07Å; Q215-W219 VanDerWaalsContact O-CD1 3.24Å; T216-W219 PolarHBondContact O-N 3.46Å; T216-W219 PolarHBondContact O-NE1 3.3Å; L217-W219 VanDerWaalsContact C-N 3.27Å; L217-W219 PolarHBondContact O-N 2.88Å |
| 220 | K | 86.4 | Confident | 86 | Confident | 79 Ų | 79 | 50 Ų | 50 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -78.6 | -35.2 | -177.6 | -168.9 | 169.2 | 179.1 | 173.6 | 0 | 112.9 | V185 T216 L217 | V185-K220 HydrophobicContact CG2-CD 4.21Å; T216-K220 VanDerWaalsContact O-CB 3.29Å; T216-K220 WeakPolarHBondContact O-CB 3.46Å; T216-K220 PolarHBondContact O-N 3.33Å; L217-K220 PolarHBondContact O-N 3.06Å |
| 221 | Y | 85.9 | Confident | 86 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | trans | -130.6 | 71.2 | 178.1 | -49.1 | -75.7 | 0 | 0 | 0 | 110.6 | I188 E189 L217 K223 I225 | I188-Y221 HydrophobicContact CB-CE2 4.39Å; I188-Y221 HydrophobicContact CD1-CE2 4.42Å; I188-Y221 HydrophobicContact CG2-CD2 4.23Å; I188-Y221 HydrophobicContact CG2-CE1 4.27Å; I188-Y221 HydrophobicContact CG2-CE2 3.69Å; E189-Y221 PolarHBondContact OE1-OH 3.26Å; E189-Y221 VanDerWaalsContact OE1-OH 3.06Å; L217-Y221 HydrophobicContact CB-CD2 4.48Å; L217-Y221 HydrophobicContact CD2-CD2 3.52Å; L217-Y221 HydrophobicContact CD2-CE2 3.6Å; L217-Y221 CarbonylContact O-C 3.48Å; L217-Y221 PolarHBondContact O-N 2.97Å; Y221-K223 PolarHBondContact O-N 3.01Å; Y221-K223 VanDerWaalsContact O-N 3.12Å; Y221-I225 HydrophobicContact CD2-CD1 3.85Å; Y221-I225 HydrophobicContact CG-CD1 3.93Å | ||
| 222 | P | 77.3 | Confident | 86 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -68.6 | -9.8 | -177.1 | 29.4 | -36.7 | 0 | 0 | 0 | 114 | ||
| 223 | K | 80.3 | Confident | 85.9 | Confident | 122 Ų | 122 | 59.6 Ų | 59.6 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -150 | 165 | 177.8 | -68.3 | -173.1 | 166.3 | -125.7 | 0 | 109.5 | Y221 I225 E246 | Y221-K223 PolarHBondContact O-N 3.01Å; Y221-K223 VanDerWaalsContact O-N 3.12Å; K223-I225 VanDerWaalsContact C-N 3.32Å; K223-I225 PolarHBondContact O-N 3.24Å; K223-E246 IonicContact NZ-OE1 3.39Å; K223-E246 PolarHBondContact NZ-OE1 3.49Å; K223-E246 IonicContact NZ-OE2 3.94Å; K223-E246 PolarHBondContact NZ-OE2 2.98Å |
| 224 | G | 81.2 | Confident | 85.8 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.2 | -18.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V244 | G224-V244 CarbonylContact C-O 3.34Å; G224-V244 VanDerWaalsContact CA-O 3.29Å; G224-V244 WeakPolarHBondContact CA-O 3.36Å; G224-V244 PolarHBondContact O-N 3.29Å |
| 225 | I | 86.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.3 | 174.1 | 66.9 | 173.7 | 0 | 0 | 0 | 112.2 | I188 L192 L217 Y221 K223 V227 I241 S242 | I188-I225 HydrophobicContact CG2-CD1 4.47Å; L192-I225 HydrophobicContact CD1-CG2 3.77Å; L217-I225 HydrophobicContact CB-CD1 4.41Å; L217-I225 HydrophobicContact CD1-CD1 4.32Å; L217-I225 HydrophobicContact CD2-CD1 4.49Å; Y221-I225 HydrophobicContact CD2-CD1 3.85Å; Y221-I225 HydrophobicContact CG-CD1 3.93Å; K223-I225 VanDerWaalsContact C-N 3.32Å; K223-I225 PolarHBondContact O-N 3.24Å; I225-V227 HydrophobicContact CD1-CG2 4.05Å; I225-V227 HydrophobicContact CG1-CG2 4.36Å; I225-I241 HydrophobicContact CB-CG2 4.07Å; I225-I241 HydrophobicContact CD1-CG2 4.1Å; I225-I241 HydrophobicContact CG2-CG2 4.26Å; I225-S242 CarbonylContact C-O 3.54Å; I225-S242 VanDerWaalsContact CA-O 3.3Å; I225-S242 WeakPolarHBondContact CA-O 3.44Å |
| 226 | H | 85.6 | Confident | 86 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.3 | 165.3 | -179.9 | 72.9 | 0 | 0 | 0 | 109.5 | I241 S242 V244 | H226-I241 CarbonylContact O-C 3.59Å; H226-I241 WeakPolarHBondContact O-CA 3.47Å; H226-S242 PolarHBondContact N-O 3.48Å; H226-S242 PolarHBondContact O-N 3.05Å; H226-V244 HydrophobicContact CB-CB 4.22Å; H226-V244 HydrophobicContact CB-CG2 3.59Å |
| 227 | V | 86.4 | Confident | 86.1 | Confident | 12 Ų | 12 | 79.6 Ų | 79.6 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.4 | -173.3 | -174 | 0 | 0 | 0 | 0 | 109 | Y214 L217 I225 I239 V240 I241 | Y214-V227 HydrophobicContact CD2-CG1 4.44Å; Y214-V227 HydrophobicContact CE1-CG1 4.22Å; Y214-V227 HydrophobicContact CE2-CG1 3.94Å; L217-V227 HydrophobicContact CD1-CG1 4.2Å; L217-V227 HydrophobicContact CD1-CG2 3.68Å; I225-V227 HydrophobicContact CD1-CG2 4.05Å; I225-V227 HydrophobicContact CG1-CG2 4.36Å; V227-I239 HydrophobicContact CG1-CG2 3.64Å; V227-V240 WeakPolarHBondContact CA-O 3.08Å; V227-I241 HydrophobicContact CG1-CG1 4.35Å; V227-I241 HydrophobicContact CG2-CG1 4.35Å |
| 228 | E | 85.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159 | 177.1 | 64.8 | -172.8 | 135 | 0 | 0 | 111.7 | Y214 L230 I239 V240 | Y214-E228 WeakPolarHBondContact OH-CA 3.35Å; E228-L230 HydrophobicContact CG-CD2 4.28Å; E228-L230 HydrophobicContact CG-CG 4.34Å; E228-I239 WeakPolarHBondContact O-CA 3.48Å; E228-V240 HydrophobicContact CG-CB 4.07Å; E228-V240 PolarHBondContact N-O 3.11Å; E228-V240 PolarHBondContact O-N 2.65Å |
| 229 | T | 87.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.8 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 108.1 | Y214 R237 Y238 | Y214-T229 PolarHBondContact OH-N 3.07Å; Y214-T229 PolarHBondContact OH-OG1 3.42Å; T229-R237 HydrophobicContact CG2-CB 4.21Å; T229-Y238 CarbonylContact C-O 3.49Å; T229-Y238 WeakPolarHBondContact CA-O 3.18Å; T229-Y238 WeakPolarHBondContact CG2-O 3.37Å |
| 230 | L | 88.1 | Confident | 87.2 | Confident | 65 Ų | 65 | 74.4 Ų | 74.4 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 172.4 | 175.4 | -60.5 | -171.5 | 0 | 0 | 0 | 110.7 | E228 R237 Y238 V240 | E228-L230 HydrophobicContact CG-CD2 4.28Å; E228-L230 HydrophobicContact CG-CG 4.34Å; L230-R237 WeakPolarHBondContact O-CA 3.1Å; L230-Y238 HydrophobicContact CB-CD1 4.16Å; L230-Y238 HydrophobicContact CB-CE1 3.57Å; L230-Y238 HydrophobicContact CB-CE2 4.48Å; L230-Y238 PolarHBondContact N-O 2.83Å; L230-Y238 PolarHBondContact O-N 3.46Å; L230-V240 HydrophobicContact CB-CG2 4.4Å; L230-V240 HydrophobicContact CD1-CG2 3.59Å; L230-V240 HydrophobicContact CG-CG2 3.88Å |
| 231 | E | 90 | Very high | 87.4 | Confident | 103 Ų | 103 | 70.7 Ų | 70.7 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.2 | -176.9 | -171.8 | 163 | 157.7 | 0 | 0 | 108.4 | K235 E236 R237 | E231-K235 HydrophobicContact CG-CB 4.37Å; E231-K235 WeakPolarHBondContact OE1-CB 3.49Å; E231-K235 WeakPolarHBondContact OE1-CG 3.33Å; E231-E236 WeakPolarHBondContact CA-O 3.45Å; E231-R237 HydrophobicContact CB-CG 4.3Å; E231-R237 HydrophobicContact CG-CG 3.99Å; E231-R237 IonicContact OE2-NE 2.88Å |
| 232 | T | 88.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | trans | -72.8 | 169.1 | 179.5 | 67.5 | 0 | 0 | 0 | 0 | 111.2 | K234 K235 E236 Y238 | T232-K234 PolarHBondContact O-N 3.28Å; T232-K234 VanDerWaalsContact O-N 3.08Å; T232-K234 PolarHBondContact OG1-N 3.02Å; T232-K235 WeakPolarHBondContact O-CA 3.35Å; T232-K235 PolarHBondContact O-N 2.98Å; T232-E236 HydrophobicContact CG2-CB 4.41Å; T232-E236 PolarHBondContact N-O 3.18Å; T232-E236 WeakPolarHBondContact OG1-CB 3.36Å; T232-E236 PolarHBondContact OG1-N 3.24Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å; T232-Y238 HydrophobicContact CG2-CD1 3.77Å; T232-Y238 HydrophobicContact CG2-CE1 3.82Å | ||
| 233 | E | 88.9 | Confident | 88.1 | Confident | 206 Ų | 206 | 67.8 Ų | 67.8 | 96% | 0.963 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.3 | 171.2 | -61.1 | -177.8 | 168.9 | 0 | 0 | 113 | K235 | E233-K235 VanDerWaalsContact C-N 3.28Å; E233-K235 PolarHBondContact O-N 3.36Å |
| 234 | K | 89.6 | Confident | 88.2 | Confident | 169 Ų | 169 | 62.5 Ų | 62.5 | 74% | 0.735 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.2 | 175.7 | -63.2 | -178.4 | 179.7 | 173.8 | 0 | 114.2 | T232 E236 | T232-K234 PolarHBondContact O-N 3.28Å; T232-K234 VanDerWaalsContact O-N 3.08Å; T232-K234 PolarHBondContact OG1-N 3.02Å; K234-E236 VanDerWaalsContact C-N 3.28Å; K234-E236 HydrophobicContact CB-CG 4.15Å; K234-E236 WeakPolarHBondContact CB-OE2 3.33Å; K234-E236 WeakPolarHBondContact CD-OE2 3.39Å; K234-E236 PolarHBondContact O-N 3.42Å |
| 235 | K | 88.2 | Confident | 88.3 | Confident | 163 Ų | 163 | 65.4 Ų | 65.4 | 71% | 0.709 | 31% | 0.307 | S | S | * | . | trans | 64.7 | 25 | -173.4 | -57.1 | -172 | 177.6 | -179.4 | 0 | 114.9 | E231 T232 E233 | E231-K235 HydrophobicContact CG-CB 4.37Å; E231-K235 WeakPolarHBondContact OE1-CB 3.49Å; E231-K235 WeakPolarHBondContact OE1-CG 3.33Å; T232-K235 WeakPolarHBondContact O-CA 3.35Å; T232-K235 PolarHBondContact O-N 2.98Å; E233-K235 VanDerWaalsContact C-N 3.28Å; E233-K235 PolarHBondContact O-N 3.36Å | ||
| 236 | E | 89.1 | Confident | 88 | Confident | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | trans | -85.9 | 123.2 | 174.7 | -61.4 | 167.5 | 123 | 0 | 0 | 108.6 | P204 E231 T232 K234 | P204-E236 HydrophobicContact CB-CB 4.46Å; P204-E236 HydrophobicContact CG-CB 4.16Å; E231-E236 WeakPolarHBondContact CA-O 3.45Å; T232-E236 HydrophobicContact CG2-CB 4.41Å; T232-E236 PolarHBondContact N-O 3.18Å; T232-E236 WeakPolarHBondContact OG1-CB 3.36Å; T232-E236 PolarHBondContact OG1-N 3.24Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å; K234-E236 VanDerWaalsContact C-N 3.28Å; K234-E236 HydrophobicContact CB-CG 4.15Å; K234-E236 WeakPolarHBondContact CB-OE2 3.33Å; K234-E236 WeakPolarHBondContact CD-OE2 3.39Å; K234-E236 PolarHBondContact O-N 3.42Å | ||
| 237 | R | 89.6 | Confident | 87.9 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 33% | 0.328 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119 | -174.3 | -59.6 | -175.7 | 77.7 | -169.8 | 4.2 | 110.1 | Y161 T229 L230 E231 | Y161-R237 PolarHBondContact OH-NH1 3.21Å; T229-R237 HydrophobicContact CG2-CB 4.21Å; L230-R237 WeakPolarHBondContact O-CA 3.1Å; E231-R237 HydrophobicContact CB-CG 4.3Å; E231-R237 HydrophobicContact CG-CG 3.99Å; E231-R237 IonicContact OE2-NE 2.88Å |
| 238 | Y | 92.1 | Very high | 87.7 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 166.9 | -175.3 | 77.1 | -79.3 | 0 | 0 | 0 | 110.4 | D201 L202 T229 L230 T232 V240 | D201-Y238 HydrophobicContact CB-CD2 4.34Å; D201-Y238 HydrophobicContact CB-CE2 4.16Å; L202-Y238 WeakPolarHBondContact O-CB 3.42Å; T229-Y238 CarbonylContact C-O 3.49Å; T229-Y238 WeakPolarHBondContact CA-O 3.18Å; T229-Y238 WeakPolarHBondContact CG2-O 3.37Å; L230-Y238 HydrophobicContact CB-CD1 4.16Å; L230-Y238 HydrophobicContact CB-CE1 3.57Å; L230-Y238 HydrophobicContact CB-CE2 4.48Å; L230-Y238 PolarHBondContact N-O 2.83Å; L230-Y238 PolarHBondContact O-N 3.46Å; T232-Y238 HydrophobicContact CG2-CD1 3.77Å; T232-Y238 HydrophobicContact CG2-CE1 3.82Å; Y238-V240 HydrophobicContact CD2-CG2 4.12Å; Y238-V240 HydrophobicContact CE2-CG2 3.51Å |
| 239 | I | 91.4 | Very high | 87.3 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130 | -174.7 | -57.7 | 171.8 | 0 | 0 | 0 | 109 | L202 R210 I213 Y214 V227 E228 I241 | L202-I239 HydrophobicContact CB-CB 4.24Å; L202-I239 HydrophobicContact CD1-CB 4.16Å; L202-I239 HydrophobicContact CD1-CG2 4.25Å; L202-I239 PolarHBondContact N-O 2.88Å; R210-I239 HydrophobicContact CB-CD1 4.17Å; R210-I239 HydrophobicContact CG-CD1 3.8Å; R210-I239 HydrophobicContact CG-CG1 4.3Å; I213-I239 HydrophobicContact CB-CD1 4.15Å; I213-I239 HydrophobicContact CD1-CD1 3.63Å; I213-I239 HydrophobicContact CG2-CD1 3.96Å; Y214-I239 HydrophobicContact CD2-CD1 4.49Å; Y214-I239 HydrophobicContact CE2-CD1 4.19Å; Y214-I239 HydrophobicContact CE2-CG1 4.39Å; Y214-I239 HydrophobicContact CE2-CG2 4.45Å; V227-I239 HydrophobicContact CG1-CG2 3.64Å; E228-I239 WeakPolarHBondContact O-CA 3.48Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å |
| 240 | V | 92.4 | Very high | 87.1 | Confident | 6 Ų | 6 | 79.8 Ų | 79.8 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.8 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | D201 V227 E228 L230 Y238 | D201-V240 WeakPolarHBondContact OD1-CG2 3.2Å; V227-V240 WeakPolarHBondContact CA-O 3.08Å; E228-V240 HydrophobicContact CG-CB 4.07Å; E228-V240 PolarHBondContact N-O 3.11Å; E228-V240 PolarHBondContact O-N 2.65Å; L230-V240 HydrophobicContact CB-CG2 4.4Å; L230-V240 HydrophobicContact CD1-CG2 3.59Å; L230-V240 HydrophobicContact CG-CG2 3.88Å; Y238-V240 HydrophobicContact CD2-CG2 4.12Å; Y238-V240 HydrophobicContact CE2-CG2 3.51Å |
| 241 | I | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.8 | 175.4 | -56.7 | -178.1 | 0 | 0 | 0 | 107.6 | I188 L191 N199 L200 L202 L217 I225 H226 V227 I239 | I188-I241 HydrophobicContact CD1-CD1 3.36Å; I188-I241 HydrophobicContact CG1-CD1 3.67Å; L191-I241 HydrophobicContact CD2-CG2 4.17Å; N199-I241 CarbonylContact C-O 3.57Å; N199-I241 WeakPolarHBondContact CA-O 3.33Å; L200-I241 HydrophobicContact CB-CB 4.41Å; L200-I241 PolarHBondContact N-O 3.25Å; L200-I241 PolarHBondContact O-N 2.63Å; L202-I241 HydrophobicContact CD1-CD1 3.85Å; L202-I241 HydrophobicContact CG-CD1 4.34Å; L217-I241 HydrophobicContact CD1-CD1 3.69Å; I225-I241 HydrophobicContact CB-CG2 4.07Å; I225-I241 HydrophobicContact CD1-CG2 4.1Å; I225-I241 HydrophobicContact CG2-CG2 4.26Å; H226-I241 CarbonylContact O-C 3.59Å; H226-I241 WeakPolarHBondContact O-CA 3.47Å; V227-I241 HydrophobicContact CG1-CG1 4.35Å; V227-I241 HydrophobicContact CG2-CG1 4.35Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å |
| 242 | S | 89.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.1 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | K198 N199 I225 H226 V244 R252 | K198-S242 CarbonylContact O-C 3.59Å; K198-S242 WeakPolarHBondContact O-CA 3.45Å; N199-S242 WeakPolarHBondContact OD1-CB 3.46Å; I225-S242 CarbonylContact C-O 3.54Å; I225-S242 VanDerWaalsContact CA-O 3.3Å; I225-S242 WeakPolarHBondContact CA-O 3.44Å; H226-S242 PolarHBondContact N-O 3.48Å; H226-S242 PolarHBondContact O-N 3.05Å; S242-V244 PolarHBondContact O-N 3.09Å; S242-R252 PolarHBondContact OG-NH1 3.16Å |
| 243 | K | 88.2 | Confident | 86.2 | Confident | 55 Ų | 55 | 82 Ų | 82 | 24% | 0.239 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 122.6 | 169.6 | -60.2 | -179.9 | 82.1 | 155.2 | 0 | 107.9 | L191 L192 S194 N197 K198 | L191-K243 HydrophobicContact CD1-CD 4.21Å; L191-K243 HydrophobicContact CD1-CG 4.17Å; L191-K243 HydrophobicContact CD2-CG 4.04Å; L191-K243 HydrophobicContact CG-CD 4.08Å; L191-K243 HydrophobicContact CG-CG 3.8Å; L191-K243 VanDerWaalsContact O-CD 3.31Å; L191-K243 WeakPolarHBondContact O-CD 3.33Å; L191-K243 WeakPolarHBondContact O-CE 3.23Å; L191-K243 PolarHBondContact O-NZ 3.38Å; L192-K243 VanDerWaalsContact C-NZ 3.34Å; L192-K243 PolarHBondContact O-NZ 2.81Å; S194-K243 PolarHBondContact O-NZ 3.49Å; N197-K243 WeakPolarHBondContact O-CD 3.37Å; K198-K243 PolarHBondContact O-N 2.92Å |
| 244 | V | 84 | Confident | 86.1 | Confident | 12 Ų | 12 | 79 Ų | 79 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 105 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 108.3 | G224 H226 S242 E248 R249 | G224-V244 CarbonylContact C-O 3.34Å; G224-V244 VanDerWaalsContact CA-O 3.29Å; G224-V244 WeakPolarHBondContact CA-O 3.36Å; G224-V244 PolarHBondContact O-N 3.29Å; H226-V244 HydrophobicContact CB-CB 4.22Å; H226-V244 HydrophobicContact CB-CG2 3.59Å; S242-V244 PolarHBondContact O-N 3.09Å; V244-E248 HydrophobicContact CG1-CB 4.29Å; V244-E248 HydrophobicContact CG1-CG 4.03Å; V244-E248 HydrophobicContact CG2-CG 4.34Å; V244-R249 HydrophobicContact CG1-CB 3.75Å |
| 245 | D | 82.6 | Confident | 86 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | trans | -68.4 | 170.6 | 168.8 | 65.6 | 69.2 | 0 | 0 | 0 | 111.2 | E247 E248 R249 | D245-E247 VanDerWaalsContact C-N 3.29Å; D245-E247 PolarHBondContact O-N 3.23Å; D245-E247 WeakPolarHBondContact OD1-CA 3.44Å; D245-E247 WeakPolarHBondContact OD1-CB 3.31Å; D245-E247 PolarHBondContact OD1-N 3Å; D245-E248 WeakPolarHBondContact OD1-CB 3.38Å; D245-E248 PolarHBondContact OD1-N 3.38Å; D245-R249 VanDerWaalsContact O-CB 3.29Å; D245-R249 WeakPolarHBondContact O-CB 3.32Å; D245-R249 PolarHBondContact O-N 3.23Å | ||
| 246 | E | 79.3 | Confident | 85.8 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.6 | -20.4 | -173.7 | -158.3 | 81.3 | -165.8 | 0 | 0 | 113 | K223 K250 | K223-E246 IonicContact NZ-OE1 3.39Å; K223-E246 PolarHBondContact NZ-OE1 3.49Å; K223-E246 IonicContact NZ-OE2 3.94Å; K223-E246 PolarHBondContact NZ-OE2 2.98Å; E246-K250 WeakPolarHBondContact O-CG 3.28Å; E246-K250 PolarHBondContact O-N 3.4Å |
| 247 | E | 83.9 | Confident | 85.5 | Confident | 157 Ų | 157 | 73 Ų | 73 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -78.3 | -49.9 | 173.1 | -66.6 | -122.7 | 122 | 0 | 0 | 110.5 | D245 R249 K250 R251 | D245-E247 VanDerWaalsContact C-N 3.29Å; D245-E247 PolarHBondContact O-N 3.23Å; D245-E247 WeakPolarHBondContact OD1-CA 3.44Å; D245-E247 WeakPolarHBondContact OD1-CB 3.31Å; D245-E247 PolarHBondContact OD1-N 3Å; E247-R249 PolarHBondContact O-N 3.2Å; E247-K250 PolarHBondContact O-N 3.48Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E247-R251 WeakPolarHBondContact O-CB 3.35Å; E247-R251 PolarHBondContact O-N 3.03Å |
| 248 | E | 81.8 | Confident | 85.5 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57 | -38.5 | 173.8 | 174.7 | 61.9 | -171.3 | 0 | 0 | 111.2 | V244 D245 R251 R252 | V244-E248 HydrophobicContact CG1-CB 4.29Å; V244-E248 HydrophobicContact CG1-CG 4.03Å; V244-E248 HydrophobicContact CG2-CG 4.34Å; D245-E248 WeakPolarHBondContact OD1-CB 3.38Å; D245-E248 PolarHBondContact OD1-N 3.38Å; E248-R251 PolarHBondContact O-N 2.95Å; E248-R251 IonicContact OE1-CZ 3.16Å; E248-R251 IonicContact OE1-NH2 2.81Å; E248-R251 PolarHBondContact OE1-NH2 3.09Å; E248-R251 IonicContact OE2-CZ 2.8Å; E248-R251 IonicContact OE2-NE 2.81Å; E248-R251 PolarHBondContact OE2-NE 2.91Å; E248-R251 IonicContact OE2-NH2 3.85Å; E248-R251 PolarHBondContact OE2-NH2 3.09Å; E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.47Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 IonicContact OE1-CZ 2.74Å; E248-R252 VanDerWaalsContact OE1-CZ 3.31Å; E248-R252 IonicContact OE1-NE 2.68Å; E248-R252 PolarHBondContact OE1-NE 2.81Å; E248-R252 IonicContact OE1-NH2 2.94Å; E248-R252 PolarHBondContact OE1-NH2 2.87Å |
| 249 | R | 78.6 | Confident | 85.4 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -55.3 | 172 | -176.1 | -177 | 176.4 | 153.6 | 6.2 | 111.5 | V244 D245 E247 R251 R252 E253 | V244-R249 HydrophobicContact CG1-CB 3.75Å; D245-R249 VanDerWaalsContact O-CB 3.29Å; D245-R249 WeakPolarHBondContact O-CB 3.32Å; D245-R249 PolarHBondContact O-N 3.23Å; E247-R249 PolarHBondContact O-N 3.2Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.4Å; R249-R252 PolarHBondContact O-N 2.97Å; R249-E253 WeakPolarHBondContact O-CB 3.37Å; R249-E253 PolarHBondContact O-N 3.04Å |
| 250 | K | 82.7 | Confident | 85.2 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -40.3 | 179.1 | -76.9 | 175.7 | 178.6 | 178.2 | 0 | 111.3 | E246 E247 E253 Q254 | E246-K250 WeakPolarHBondContact O-CG 3.28Å; E246-K250 PolarHBondContact O-N 3.4Å; E247-K250 PolarHBondContact O-N 3.48Å; E247-K250 VanDerWaalsContact O-N 3.12Å; K250-E253 PolarHBondContact O-N 2.97Å; K250-Q254 WeakPolarHBondContact O-CB 3.45Å; K250-Q254 PolarHBondContact O-N 2.87Å |
| 251 | R | 85.9 | Confident | 84.9 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 177.1 | -166.5 | -169.4 | 67.8 | 68.7 | 4.8 | 111.6 | E247 E248 R249 Q254 Q255 | E247-R251 WeakPolarHBondContact O-CB 3.35Å; E247-R251 PolarHBondContact O-N 3.03Å; E248-R251 PolarHBondContact O-N 2.95Å; E248-R251 IonicContact OE1-CZ 3.16Å; E248-R251 IonicContact OE1-NH2 2.81Å; E248-R251 PolarHBondContact OE1-NH2 3.09Å; E248-R251 IonicContact OE2-CZ 2.8Å; E248-R251 IonicContact OE2-NE 2.81Å; E248-R251 PolarHBondContact OE2-NE 2.91Å; E248-R251 IonicContact OE2-NH2 3.85Å; E248-R251 PolarHBondContact OE2-NH2 3.09Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.4Å; R251-Q254 PolarHBondContact O-N 3.38Å; R251-Q255 WeakPolarHBondContact O-CB 3.42Å; R251-Q255 WeakPolarHBondContact O-CG 3.01Å; R251-Q255 PolarHBondContact O-N 3.36Å |
| 252 | R | 81.4 | Confident | 84.9 | Confident | 77 Ų | 77 | 84.9 Ų | 84.9 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.1 | -73.6 | -176 | -169.6 | -170.4 | 9.6 | 112.1 | S242 E248 R249 Q255 K256 | S242-R252 PolarHBondContact OG-NH1 3.16Å; E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.47Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 IonicContact OE1-CZ 2.74Å; E248-R252 VanDerWaalsContact OE1-CZ 3.31Å; E248-R252 IonicContact OE1-NE 2.68Å; E248-R252 PolarHBondContact OE1-NE 2.81Å; E248-R252 IonicContact OE1-NH2 2.94Å; E248-R252 PolarHBondContact OE1-NH2 2.87Å; R249-R252 PolarHBondContact O-N 2.97Å; R252-Q255 PolarHBondContact O-N 2.98Å; R252-K256 WeakPolarHBondContact O-CB 3.23Å; R252-K256 PolarHBondContact O-N 3.22Å |
| 253 | E | 81.1 | Confident | 85 | Confident | 89 Ų | 89 | 88 Ų | 88 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 178.9 | -165 | 172.7 | 157.2 | 0 | 0 | 111.8 | R249 K250 K256 H257 | R249-E253 WeakPolarHBondContact O-CB 3.37Å; R249-E253 PolarHBondContact O-N 3.04Å; K250-E253 PolarHBondContact O-N 2.97Å; E253-K256 PolarHBondContact O-N 3.03Å; E253-H257 WeakPolarHBondContact O-CB 3.42Å; E253-H257 PolarHBondContact O-N 3.44Å |
| 254 | Q | 85.2 | Confident | 85.1 | Confident | 143 Ų | 143 | 85.5 Ų | 85.5 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 172.3 | -174 | -177.2 | 5.1 | 0 | 0 | 112.1 | K250 R251 H257 A258 | K250-Q254 WeakPolarHBondContact O-CB 3.45Å; K250-Q254 PolarHBondContact O-N 2.87Å; R251-Q254 PolarHBondContact O-N 3.38Å; Q254-H257 PolarHBondContact O-N 3.36Å; Q254-A258 WeakPolarHBondContact O-CB 3.29Å; Q254-A258 PolarHBondContact O-N 3.32Å |
| 255 | Q | 88.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 86.4 Ų | 86.4 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.5 | -78.9 | -174.6 | -25.1 | 0 | 0 | 112.5 | R251 R252 A258 K259 | R251-Q255 WeakPolarHBondContact O-CB 3.42Å; R251-Q255 WeakPolarHBondContact O-CG 3.01Å; R251-Q255 PolarHBondContact O-N 3.36Å; R252-Q255 PolarHBondContact O-N 2.98Å; Q255-A258 PolarHBondContact O-N 2.79Å; Q255-K259 WeakPolarHBondContact O-CB 3.37Å; Q255-K259 PolarHBondContact O-N 2.91Å |
| 256 | K | 84.1 | Confident | 86 | Confident | 122 Ų | 122 | 84.6 Ų | 84.6 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 172.8 | 178.9 | -176.4 | 165.5 | -173.6 | 0 | 110.7 | R252 E253 A258 K259 E260 | R252-K256 WeakPolarHBondContact O-CB 3.23Å; R252-K256 PolarHBondContact O-N 3.22Å; E253-K256 PolarHBondContact O-N 3.03Å; K256-A258 PolarHBondContact O-N 2.88Å; K256-K259 WeakPolarHBondContact O-CB 3.29Å; K256-K259 PolarHBondContact O-N 2.96Å; K256-K259 VanDerWaalsContact O-N 3.16Å; K256-E260 WeakPolarHBondContact CE-OE1 3.43Å; K256-E260 IonicContact NZ-OE1 2.75Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.25Å |
| 257 | H | 83.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 81 Ų | 81 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 177.6 | -179.8 | -82.3 | 0 | 0 | 0 | 112.6 | R150 E253 Q254 K259 E260 Q261 | R150-H257 PolarHBondContact NH1-CD2 3.24Å; R150-H257 VanDerWaalsContact NH1-CD2 3.25Å; R150-H257 PolarHBondContact NH1-NE2 3.06Å; R150-H257 PolarHBondContact NH2-CD2 3.14Å; R150-H257 VanDerWaalsContact NH2-CD2 3.28Å; E253-H257 WeakPolarHBondContact O-CB 3.42Å; E253-H257 PolarHBondContact O-N 3.44Å; Q254-H257 PolarHBondContact O-N 3.36Å; H257-K259 VanDerWaalsContact C-N 3.31Å; H257-K259 PolarHBondContact O-N 2.82Å; H257-E260 PolarHBondContact O-N 2.89Å; H257-Q261 WeakPolarHBondContact O-CB 3.13Å; H257-Q261 PolarHBondContact O-N 3.48Å |
| 258 | A | 89.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q254 Q255 K256 E262 | Q254-A258 WeakPolarHBondContact O-CB 3.29Å; Q254-A258 PolarHBondContact O-N 3.32Å; Q255-A258 PolarHBondContact O-N 2.79Å; K256-A258 PolarHBondContact O-N 2.88Å; A258-E262 VanDerWaalsContact O-CB 3.26Å; A258-E262 WeakPolarHBondContact O-CB 3.27Å; A258-E262 PolarHBondContact O-N 2.87Å |
| 259 | K | 89.1 | Confident | 88.1 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 175 | -168.9 | -173.4 | -177.4 | -108.2 | 0 | 112.2 | Q255 K256 H257 E262 E263 | Q255-K259 WeakPolarHBondContact O-CB 3.37Å; Q255-K259 PolarHBondContact O-N 2.91Å; K256-K259 WeakPolarHBondContact O-CB 3.29Å; K256-K259 PolarHBondContact O-N 2.96Å; K256-K259 VanDerWaalsContact O-N 3.16Å; H257-K259 VanDerWaalsContact C-N 3.31Å; H257-K259 PolarHBondContact O-N 2.82Å; K259-E262 PolarHBondContact O-N 2.62Å; K259-E262 VanDerWaalsContact O-N 3.15Å; K259-E263 WeakPolarHBondContact CE-OE1 3.49Å; K259-E263 IonicContact NZ-OE1 2.85Å; K259-E263 PolarHBondContact NZ-OE1 3.03Å; K259-E263 WeakPolarHBondContact O-CG 3.48Å; K259-E263 PolarHBondContact O-N 2.84Å |
| 260 | E | 87.1 | Confident | 89 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.6 | -72.6 | 171.3 | 161.6 | 0 | 0 | 111.7 | Y146 K256 H257 E262 E263 L264 | Y146-E260 HydrophobicContact CD1-CB 4.31Å; Y146-E260 HydrophobicContact CE1-CB 4.16Å; Y146-E260 HydrophobicContact CE1-CG 4.32Å; K256-E260 WeakPolarHBondContact CE-OE1 3.43Å; K256-E260 IonicContact NZ-OE1 2.75Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.25Å; H257-E260 PolarHBondContact O-N 2.89Å; E260-E262 PolarHBondContact O-N 2.85Å; E260-E263 PolarHBondContact O-N 3.41Å; E260-L264 WeakPolarHBondContact O-CB 3.48Å; E260-L264 PolarHBondContact O-N 3.26Å |
| 261 | Q | 87.1 | Confident | 89.8 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 173.4 | -174.6 | 68 | 19.8 | 0 | 0 | 111.9 | H257 L264 N265 | H257-Q261 WeakPolarHBondContact O-CB 3.13Å; H257-Q261 PolarHBondContact O-N 3.48Å; Q261-L264 WeakPolarHBondContact O-CB 3.47Å; Q261-N265 WeakPolarHBondContact O-CB 3.46Å; Q261-N265 PolarHBondContact O-N 2.7Å; Q261-N265 PolarHBondContact O-ND2 2.92Å |
| 262 | E | 90.7 | Very high | 90.4 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -77.5 | -37.2 | -178.9 | -164.1 | 59.9 | -164.5 | 0 | 0 | 112.7 | K9 A258 K259 E260 L264 N265 D266 | K9-E262 WeakPolarHBondContact CE-OE1 3.31Å; K9-E262 VanDerWaalsContact NZ-CG 3.32Å; K9-E262 IonicContact NZ-OE1 3.33Å; K9-E262 PolarHBondContact NZ-OE1 3.46Å; A258-E262 VanDerWaalsContact O-CB 3.26Å; A258-E262 WeakPolarHBondContact O-CB 3.27Å; A258-E262 PolarHBondContact O-N 2.87Å; K259-E262 PolarHBondContact O-N 2.62Å; K259-E262 VanDerWaalsContact O-N 3.15Å; E260-E262 PolarHBondContact O-N 2.85Å; E262-L264 VanDerWaalsContact C-N 3.26Å; E262-L264 PolarHBondContact O-N 2.77Å; E262-N265 PolarHBondContact O-N 2.96Å; E262-N265 PolarHBondContact OE2-ND2 2.79Å; E262-D266 WeakPolarHBondContact O-CB 3.44Å; E262-D266 PolarHBondContact O-N 3.04Å |
| 263 | E | 90.5 | Very high | 91.2 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 169.2 | -74.1 | 174 | -173.2 | 0 | 0 | 111.5 | K259 E260 D266 A267 | K259-E263 WeakPolarHBondContact CE-OE1 3.49Å; K259-E263 IonicContact NZ-OE1 2.85Å; K259-E263 PolarHBondContact NZ-OE1 3.03Å; K259-E263 WeakPolarHBondContact O-CG 3.48Å; K259-E263 PolarHBondContact O-N 2.84Å; E260-E263 PolarHBondContact O-N 3.41Å; E263-D266 PolarHBondContact O-N 2.76Å; E263-A267 PolarHBondContact O-N 2.77Å |
| 264 | L | 90.2 | Very high | 92 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -43.8 | 174.8 | 178.1 | 60.8 | 0 | 0 | 0 | 112.2 | L142 R143 E260 Q261 E262 D266 A267 V268 | L142-L264 HydrophobicContact CB-CD1 4.16Å; L142-L264 HydrophobicContact CD2-CD1 3.52Å; L142-L264 HydrophobicContact CG-CD1 3.65Å; R143-L264 HydrophobicContact CG-CD1 4.49Å; R143-L264 HydrophobicContact CG-CD2 3.69Å; R143-L264 HydrophobicContact CG-CG 4.47Å; R143-L264 VanDerWaalsContact NH1-CD2 3.31Å; E260-L264 WeakPolarHBondContact O-CB 3.48Å; E260-L264 PolarHBondContact O-N 3.26Å; Q261-L264 WeakPolarHBondContact O-CB 3.47Å; E262-L264 VanDerWaalsContact C-N 3.26Å; E262-L264 PolarHBondContact O-N 2.77Å; L264-D266 PolarHBondContact O-N 2.77Å; L264-A267 WeakPolarHBondContact O-CB 3.32Å; L264-A267 PolarHBondContact O-N 2.78Å; L264-A267 VanDerWaalsContact O-N 3.08Å; L264-V268 WeakPolarHBondContact O-CG2 2.99Å; L264-V268 PolarHBondContact O-N 3Å |
| 265 | N | 92.8 | Very high | 92.6 | Very high | 31 Ų | 31 | 46 Ų | 46 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -29.5 | 173.4 | -71 | -23.8 | 0 | 0 | 0 | 112.8 | Q261 E262 G269 R272 | Q261-N265 WeakPolarHBondContact O-CB 3.46Å; Q261-N265 PolarHBondContact O-N 2.7Å; Q261-N265 PolarHBondContact O-ND2 2.92Å; E262-N265 PolarHBondContact O-N 2.96Å; E262-N265 PolarHBondContact OE2-ND2 2.79Å; N265-G269 PolarHBondContact O-N 3.48Å; N265-R272 VanDerWaalsContact O-CD 3.27Å; N265-R272 WeakPolarHBondContact O-CD 3.38Å; N265-R272 PolarHBondContact O-NH1 3.17Å |
| 266 | D | 93.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -76.5 | -28 | 172.7 | -75.1 | -22.8 | 0 | 0 | 0 | 112.3 | K9 P132 E262 E263 L264 | K9-D266 IonicContact NZ-OD1 2.72Å; K9-D266 PolarHBondContact NZ-OD1 3.1Å; K9-D266 IonicContact NZ-OD2 3.47Å; K9-D266 PolarHBondContact NZ-OD2 2.85Å; P132-D266 VanDerWaalsContact CG-O 3.28Å; P132-D266 WeakPolarHBondContact CG-O 3.45Å; E262-D266 WeakPolarHBondContact O-CB 3.44Å; E262-D266 PolarHBondContact O-N 3.04Å; E263-D266 PolarHBondContact O-N 2.76Å; L264-D266 PolarHBondContact O-N 2.77Å |
| 267 | A | 94.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F97 L134 L142 E263 L264 G269 | F97-A267 HydrophobicContact CB-CB 4.43Å; F97-A267 HydrophobicContact CD2-CB 3.5Å; F97-A267 VanDerWaalsContact CD2-CB 3.5Å; F97-A267 HydrophobicContact CE2-CB 3.78Å; F97-A267 HydrophobicContact CG-CB 3.91Å; F97-A267 HydrophobicContact CZ-CB 4.41Å; L134-A267 HydrophobicContact CD1-CB 4Å; L142-A267 HydrophobicContact CD2-CB 4.15Å; E263-A267 PolarHBondContact O-N 2.77Å; L264-A267 WeakPolarHBondContact O-CB 3.32Å; L264-A267 PolarHBondContact O-N 2.78Å; L264-A267 VanDerWaalsContact O-N 3.08Å; A267-G269 PolarHBondContact O-N 3.27Å |
| 268 | V | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -33.3 | 173.8 | -178 | 0 | 0 | 0 | 0 | 110.9 | Y133 L134 E139 L264 F270 S271 R272 | Y133-V268 WeakPolarHBondContact CA-O 3.4Å; L134-V268 HydrophobicContact CD1-CG2 4.24Å; E139-V268 HydrophobicContact CB-CG2 4.09Å; E139-V268 VanDerWaalsContact CD-CG2 3.42Å; E139-V268 HydrophobicContact CG-CG2 3.6Å; E139-V268 WeakPolarHBondContact OE2-CG1 3.26Å; L264-V268 WeakPolarHBondContact O-CG2 2.99Å; L264-V268 PolarHBondContact O-N 3Å; V268-F270 PolarHBondContact O-N 3.48Å; V268-S271 PolarHBondContact O-N 2.95Å; V268-R272 HydrophobicContact CB-CG 4.3Å; V268-R272 HydrophobicContact CG1-CG 3.84Å |
| 269 | G | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | 52.9 | -119.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F8 P132 N265 A267 S271 R272 | F8-G269 WeakPolarHBondContact CE1-O 3.22Å; F8-G269 VanDerWaalsContact CZ-O 3.23Å; F8-G269 WeakPolarHBondContact CZ-O 3.43Å; P132-G269 WeakPolarHBondContact O-CA 3.44Å; N265-G269 PolarHBondContact O-N 3.48Å; A267-G269 PolarHBondContact O-N 3.27Å; G269-S271 VanDerWaalsContact C-N 3.33Å; G269-S271 PolarHBondContact O-N 3.47Å; G269-R272 VanDerWaalsContact O-CB 3.32Å; G269-R272 WeakPolarHBondContact O-CB 3.37Å; G269-R272 WeakPolarHBondContact O-CG 3.43Å; G269-R272 PolarHBondContact O-N 3.2Å |
| 270 | F | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.7 | -173 | -178.5 | -108.4 | 0 | 0 | 0 | 114.6 | F8 F69 F90 V92 I131 P132 V268 R272 V273 I274 F300 | F8-F270 HydrophobicContact CE2-CD2 4.37Å; F69-F270 HydrophobicContact CB-CE1 4.04Å; F69-F270 HydrophobicContact CB-CE2 4.49Å; F69-F270 HydrophobicContact CB-CZ 3.66Å; F69-F270 AromaticContact CD1-CZ 3.75Å; F69-F270 HydrophobicContact CD1-CZ 3.75Å; F69-F270 HydrophobicContact CD2-CE1 4.15Å; F69-F270 HydrophobicContact CD2-CZ 4.1Å; F69-F270 HydrophobicContact CE1-CZ 4.42Å; F69-F270 HydrophobicContact CG-CE1 4.02Å; F69-F270 AromaticContact CG-CZ 3.57Å; F69-F270 HydrophobicContact CG-CZ 3.57Å; F90-F270 HydrophobicContact CB-CD2 3.83Å; F90-F270 HydrophobicContact CB-CE2 3.47Å; F90-F270 VanDerWaalsContact CB-CE2 3.47Å; F90-F270 HydrophobicContact CB-CZ 4.16Å; F90-F270 AromaticContact CD1-CD2 3.91Å; F90-F270 HydrophobicContact CD1-CD2 3.91Å; F90-F270 AromaticContact CD1-CE2 3.74Å; F90-F270 HydrophobicContact CD1-CE2 3.74Å; F90-F270 AromaticContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CZ 4.31Å; F90-F270 HydrophobicContact CE1-CE2 4.35Å; F90-F270 HydrophobicContact CE2-CE2 4.26Å; F90-F270 AromaticContact CG-CD2 3.89Å; F90-F270 HydrophobicContact CG-CD2 3.89Å; F90-F270 AromaticContact CG-CE2 3.35Å; F90-F270 HydrophobicContact CG-CE2 3.35Å; F90-F270 HydrophobicContact CG-CZ 4.28Å; V92-F270 HydrophobicContact CG1-CB 3.73Å; V92-F270 HydrophobicContact CG1-CD1 3.6Å; V92-F270 HydrophobicContact CG1-CD2 3.96Å; V92-F270 HydrophobicContact CG1-CE1 4.19Å; V92-F270 HydrophobicContact CG1-CG 3.45Å; V92-F270 VanDerWaalsContact CG1-CG 3.45Å; I131-F270 HydrophobicContact CB-CB 4.49Å; I131-F270 HydrophobicContact CG2-CB 4.01Å; P132-F270 PolarHBondContact O-N 2.95Å; V268-F270 PolarHBondContact O-N 3.48Å; F270-R272 PolarHBondContact O-N 2.84Å; F270-V273 HydrophobicContact CD2-CB 4.08Å; F270-V273 HydrophobicContact CD2-CG2 3.95Å; F270-V273 HydrophobicContact CE2-CB 3.79Å; F270-V273 HydrophobicContact CE2-CG1 4.04Å; F270-V273 HydrophobicContact CE2-CG2 3.99Å; F270-V273 HydrophobicContact CZ-CB 4.39Å; F270-V273 WeakPolarHBondContact O-CB 3.38Å; F270-V273 PolarHBondContact O-N 3.22Å; F270-I274 HydrophobicContact CD1-CG1 4.32Å; F270-I274 HydrophobicContact CE1-CD1 3.7Å; F270-I274 HydrophobicContact CE1-CG1 3.84Å; F270-I274 HydrophobicContact CZ-CD1 3.88Å; F270-I274 HydrophobicContact CZ-CG1 4.35Å; F270-F300 AromaticContact CD1-CD1 3.95Å; F270-F300 HydrophobicContact CD1-CD1 3.95Å; F270-F300 HydrophobicContact CD1-CD2 4.34Å; F270-F300 AromaticContact CD1-CE1 3.67Å; F270-F300 HydrophobicContact CD1-CE1 3.67Å; F270-F300 HydrophobicContact CD1-CE2 4.08Å; F270-F300 HydrophobicContact CD1-CG 4.29Å; F270-F300 AromaticContact CD1-CZ 3.75Å; F270-F300 HydrophobicContact CD1-CZ 3.75Å; F270-F300 HydrophobicContact CE1-CD2 4.19Å; F270-F300 HydrophobicContact CE1-CE1 4.27Å; F270-F300 AromaticContact CE1-CE2 3.84Å; F270-F300 HydrophobicContact CE1-CE2 3.84Å; F270-F300 AromaticContact CE1-CZ 3.9Å; F270-F300 HydrophobicContact CE1-CZ 3.9Å |
| 271 | S | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.9 | -26.6 | 178.5 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | L134 V268 G269 V273 I274 H275 | L134-S271 WeakPolarHBondContact O-CB 3.31Å; L134-S271 PolarHBondContact O-OG 3.08Å; V268-S271 PolarHBondContact O-N 2.95Å; G269-S271 VanDerWaalsContact C-N 3.33Å; G269-S271 PolarHBondContact O-N 3.47Å; S271-V273 PolarHBondContact O-N 3.18Å; S271-I274 PolarHBondContact O-N 2.74Å; S271-I274 VanDerWaalsContact O-N 3.11Å; S271-H275 PolarHBondContact O-CD2 3Å; S271-H275 VanDerWaalsContact O-CD2 3.22Å; S271-H275 VanDerWaalsContact O-CG 3.25Å; S271-H275 PolarHBondContact O-N 2.95Å |
| 272 | R | 98.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 30.4 Ų | 30.4 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -25.4 | 172.7 | -60.6 | 174.5 | 57.2 | -175.3 | 1.1 | 114.4 | L12 Y16 N265 V268 G269 F270 A276 | L12-R272 VanDerWaalsContact CD2-CZ 3.42Å; Y16-R272 PolarHBondContact OH-NE 2.86Å; N265-R272 VanDerWaalsContact O-CD 3.27Å; N265-R272 WeakPolarHBondContact O-CD 3.38Å; N265-R272 PolarHBondContact O-NH1 3.17Å; V268-R272 HydrophobicContact CB-CG 4.3Å; V268-R272 HydrophobicContact CG1-CG 3.84Å; G269-R272 VanDerWaalsContact O-CB 3.32Å; G269-R272 WeakPolarHBondContact O-CB 3.37Å; G269-R272 WeakPolarHBondContact O-CG 3.43Å; G269-R272 PolarHBondContact O-N 3.2Å; F270-R272 PolarHBondContact O-N 2.84Å; R272-A276 PolarHBondContact O-N 2.97Å |
| 273 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -77.3 | -45.3 | 173 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | F8 L12 V15 I19 L71 F90 F270 S271 H275 A276 I277 | F8-V273 HydrophobicContact CE2-CG2 3.72Å; F8-V273 HydrophobicContact CZ-CG2 3.98Å; L12-V273 HydrophobicContact CD1-CG2 3.92Å; V15-V273 HydrophobicContact CG1-CG1 3.94Å; V15-V273 HydrophobicContact CG1-CG2 4.23Å; I19-V273 HydrophobicContact CD1-CG1 4.21Å; L71-V273 HydrophobicContact CD2-CG1 4.46Å; F90-V273 HydrophobicContact CE1-CG2 4.21Å; F90-V273 HydrophobicContact CE2-CG1 4.4Å; F90-V273 HydrophobicContact CZ-CG1 4.26Å; F90-V273 HydrophobicContact CZ-CG2 4.42Å; F270-V273 HydrophobicContact CD2-CB 4.08Å; F270-V273 HydrophobicContact CD2-CG2 3.95Å; F270-V273 HydrophobicContact CE2-CB 3.79Å; F270-V273 HydrophobicContact CE2-CG1 4.04Å; F270-V273 HydrophobicContact CE2-CG2 3.99Å; F270-V273 HydrophobicContact CZ-CB 4.39Å; F270-V273 WeakPolarHBondContact O-CB 3.38Å; F270-V273 PolarHBondContact O-N 3.22Å; S271-V273 PolarHBondContact O-N 3.18Å; V273-H275 VanDerWaalsContact C-N 3.35Å; V273-H275 PolarHBondContact O-N 3.12Å; V273-A276 WeakPolarHBondContact O-CB 3.19Å; V273-A276 PolarHBondContact O-N 3.33Å; V273-I277 HydrophobicContact CG1-CD1 4.26Å; V273-I277 WeakPolarHBondContact O-CG1 3.08Å; V273-I277 PolarHBondContact O-N 3.17Å |
| 274 | I | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 176.4 | -56.9 | -53.2 | 0 | 0 | 0 | 110.9 | F69 F270 S271 A276 I277 A278 T296 F300 V318 | F69-I274 HydrophobicContact CD2-CD1 4.45Å; F69-I274 HydrophobicContact CE1-CD1 4.47Å; F69-I274 HydrophobicContact CE2-CD1 3.9Å; F69-I274 HydrophobicContact CZ-CD1 3.91Å; F270-I274 HydrophobicContact CD1-CG1 4.32Å; F270-I274 HydrophobicContact CE1-CD1 3.7Å; F270-I274 HydrophobicContact CE1-CG1 3.84Å; F270-I274 HydrophobicContact CZ-CD1 3.88Å; F270-I274 HydrophobicContact CZ-CG1 4.35Å; S271-I274 PolarHBondContact O-N 2.74Å; S271-I274 VanDerWaalsContact O-N 3.11Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.23Å; I274-I277 HydrophobicContact CD1-CD1 4.49Å; I274-I277 PolarHBondContact O-N 3.33Å; I274-A278 WeakPolarHBondContact O-CB 3.48Å; I274-A278 PolarHBondContact O-N 3.36Å; I274-T296 HydrophobicContact CD1-CG2 3.74Å; I274-T296 HydrophobicContact CG1-CG2 4.17Å; I274-T296 HydrophobicContact CG2-CG2 4.02Å; I274-F300 HydrophobicContact CB-CB 4.3Å; I274-F300 HydrophobicContact CD1-CD2 4.28Å; I274-F300 HydrophobicContact CG1-CB 3.89Å; I274-F300 HydrophobicContact CG1-CD2 3.79Å; I274-F300 HydrophobicContact CG1-CG 3.97Å; I274-F300 HydrophobicContact CG2-CB 4.42Å; I274-V318 HydrophobicContact CG2-CG1 3.77Å |
| 275 | H | 97.9 | Very high | 97.6 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 174.2 | -58.4 | -31 | 0 | 0 | 0 | 113 | S271 V273 N279 | S271-H275 PolarHBondContact O-CD2 3Å; S271-H275 VanDerWaalsContact O-CD2 3.22Å; S271-H275 VanDerWaalsContact O-CG 3.25Å; S271-H275 PolarHBondContact O-N 2.95Å; V273-H275 VanDerWaalsContact C-N 3.35Å; V273-H275 PolarHBondContact O-N 3.12Å; H275-N279 VanDerWaalsContact O-CB 3.22Å; H275-N279 WeakPolarHBondContact O-CB 3.36Å; H275-N279 PolarHBondContact O-N 3.43Å; H275-N279 PolarHBondContact O-ND2 3.35Å; H275-N279 VanDerWaalsContact O-ND2 3.07Å |
| 276 | A | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.5 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y16 I19 R272 V273 I274 S280 | Y16-A276 HydrophobicContact CD1-CB 3.69Å; Y16-A276 HydrophobicContact CE1-CB 3.59Å; I19-A276 HydrophobicContact CD1-CB 3.95Å; I19-A276 HydrophobicContact CG2-CB 4.41Å; R272-A276 PolarHBondContact O-N 2.97Å; V273-A276 WeakPolarHBondContact O-CB 3.19Å; V273-A276 PolarHBondContact O-N 3.33Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.23Å; A276-S280 WeakPolarHBondContact O-CB 3.32Å; A276-S280 PolarHBondContact O-N 3.2Å; A276-S280 VanDerWaalsContact O-N 3.17Å |
| 277 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -50.1 | 172 | -63.6 | 167.8 | 0 | 0 | 0 | 109.6 | I19 F25 F69 L71 V273 I274 S280 V284 F319 | I19-I277 HydrophobicContact CD1-CG1 3.87Å; I19-I277 HydrophobicContact CG1-CG1 4.41Å; F25-I277 HydrophobicContact CD2-CG2 4.04Å; F25-I277 HydrophobicContact CE2-CG2 4.26Å; F69-I277 HydrophobicContact CE1-CD1 4.46Å; L71-I277 HydrophobicContact CD1-CD1 4.12Å; L71-I277 HydrophobicContact CD2-CD1 4.36Å; V273-I277 HydrophobicContact CG1-CD1 4.26Å; V273-I277 WeakPolarHBondContact O-CG1 3.08Å; V273-I277 PolarHBondContact O-N 3.17Å; I274-I277 HydrophobicContact CD1-CD1 4.49Å; I274-I277 PolarHBondContact O-N 3.33Å; I277-S280 WeakPolarHBondContact O-CB 3.2Å; I277-S280 PolarHBondContact O-N 2.91Å; I277-S280 PolarHBondContact O-OG 3.27Å; I277-V284 HydrophobicContact CG2-CG2 3.6Å; I277-F319 HydrophobicContact CG2-CD1 4.13Å; I277-F319 HydrophobicContact CG2-CE1 3.86Å |
| 278 | A | 97.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -55.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I274 S280 G281 V318 | I274-A278 WeakPolarHBondContact O-CB 3.48Å; I274-A278 PolarHBondContact O-N 3.36Å; A278-S280 PolarHBondContact O-N 2.75Å; A278-S280 VanDerWaalsContact O-N 3.12Å; A278-G281 PolarHBondContact O-N 2.79Å; A278-G281 VanDerWaalsContact O-N 3.14Å; A278-V318 WeakPolarHBondContact CA-O 3.39Å; A278-V318 WeakPolarHBondContact CB-O 3.42Å |
| 279 | N | 98.1 | Very high | 98.4 | Very high | 143 Ų | 143 | 22.9 Ų | 22.9 | 77% | 0.765 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -63.5 | -19.4 | -179 | -70.8 | -28.1 | 0 | 0 | 0 | 113.5 | H275 G281 | H275-N279 VanDerWaalsContact O-CB 3.22Å; H275-N279 WeakPolarHBondContact O-CB 3.36Å; H275-N279 PolarHBondContact O-N 3.43Å; H275-N279 PolarHBondContact O-ND2 3.35Å; H275-N279 VanDerWaalsContact O-ND2 3.07Å; N279-G281 VanDerWaalsContact C-N 3.29Å; N279-G281 PolarHBondContact O-N 3.33Å |
| 280 | S | 98.4 | Very high | 98.4 | Very high | 34 Ų | 34 | 23.7 Ų | 23.7 | 24% | 0.238 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.6 | -24 | 177.4 | 81.1 | 0 | 0 | 0 | 0 | 113.4 | F25 A276 I277 A278 K282 | F25-S280 WeakPolarHBondContact CE2-OG 3.49Å; A276-S280 WeakPolarHBondContact O-CB 3.32Å; A276-S280 PolarHBondContact O-N 3.2Å; A276-S280 VanDerWaalsContact O-N 3.17Å; I277-S280 WeakPolarHBondContact O-CB 3.2Å; I277-S280 PolarHBondContact O-N 2.91Å; I277-S280 PolarHBondContact O-OG 3.27Å; A278-S280 PolarHBondContact O-N 2.75Å; A278-S280 VanDerWaalsContact O-N 3.12Å; S280-K282 WeakPolarHBondContact O-CG 3.25Å; S280-K282 PolarHBondContact O-N 3.01Å; S280-K282 PolarHBondContact OG-N 2.82Å |
| 281 | G | 97.9 | Very high | 98.4 | Very high | 36 Ų | 36 | 25.2 Ų | 25.2 | 37% | 0.371 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 11.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A278 N279 | A278-G281 PolarHBondContact O-N 2.79Å; A278-G281 VanDerWaalsContact O-N 3.14Å; N279-G281 VanDerWaalsContact C-N 3.29Å; N279-G281 PolarHBondContact O-N 3.33Å |
| 282 | K | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 20% | 0.204 | 15% | 0.145 | C | C | . | . | trans | -80.4 | 162.8 | -177.9 | -58.9 | -164.3 | -179.2 | 88.1 | 0 | 111.5 | I19 E20 A22 F25 S280 V284 | I19-K282 PolarHBondContact O-NZ 2.78Å; E20-K282 WeakPolarHBondContact O-CE 3.29Å; E20-K282 PolarHBondContact O-NZ 3.18Å; A22-K282 WeakPolarHBondContact O-CD 3.49Å; A22-K282 WeakPolarHBondContact O-CE 3.25Å; F25-K282 HydrophobicContact CD2-CB 4.43Å; F25-K282 HydrophobicContact CE2-CB 3.81Å; F25-K282 HydrophobicContact CE2-CD 4.38Å; F25-K282 HydrophobicContact CE2-CG 4.44Å; F25-K282 HydrophobicContact CZ-CB 4.24Å; F25-K282 HydrophobicContact CZ-CD 3.96Å; F25-K282 HydrophobicContact CZ-CG 4.48Å; S280-K282 WeakPolarHBondContact O-CG 3.25Å; S280-K282 PolarHBondContact O-N 3.01Å; S280-K282 PolarHBondContact OG-N 2.82Å; K282-V284 PolarHBondContact O-N 2.8Å | ||
| 283 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.7 | 176.3 | 174.1 | 64.7 | 0 | 0 | 0 | 110.2 | F24 F25 I285 R321 L323 F390 A410 I415 F419 | F24-L283 WeakPolarHBondContact CA-O 3.36Å; F24-L283 HydrophobicContact CB-CB 3.87Å; F24-L283 HydrophobicContact CB-CD2 4.31Å; F24-L283 HydrophobicContact CB-CG 4.26Å; F24-L283 WeakPolarHBondContact CB-O 3.32Å; F25-L283 PolarHBondContact N-O 3.49Å; L283-I285 HydrophobicContact CD1-CG1 4.33Å; L283-I285 HydrophobicContact CD2-CD1 3.73Å; L283-I285 HydrophobicContact CD2-CG1 3.97Å; L283-I285 HydrophobicContact CG-CD1 4.07Å; L283-I285 HydrophobicContact CG-CG1 3.74Å; L283-R321 HydrophobicContact CD1-CG 3.76Å; L283-L323 HydrophobicContact CD1-CB 3.81Å; L283-F390 HydrophobicContact CD2-CE1 4.38Å; L283-F390 HydrophobicContact CD2-CE2 4.24Å; L283-F390 HydrophobicContact CD2-CZ 3.83Å; L283-A410 HydrophobicContact CD2-CB 3.99Å; L283-I415 HydrophobicContact CD2-CD1 4.11Å; L283-F419 HydrophobicContact CD1-CD1 3.97Å; L283-F419 HydrophobicContact CD1-CE1 3.78Å; L283-F419 HydrophobicContact CD2-CE1 4.19Å |
| 284 | V | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.9 | 170.8 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | F25 I27 I277 K282 F319 R321 L322 L323 | F25-V284 HydrophobicContact CD2-CG2 4.17Å; F25-V284 CarbonylContact O-C 3.51Å; I27-V284 HydrophobicContact CD1-CG1 3.55Å; I27-V284 HydrophobicContact CG1-CG1 3.71Å; I27-V284 HydrophobicContact CG2-CG1 4.21Å; I277-V284 HydrophobicContact CG2-CG2 3.6Å; K282-V284 PolarHBondContact O-N 2.8Å; V284-F319 HydrophobicContact CB-CD1 4.33Å; V284-F319 HydrophobicContact CG1-CD1 4.26Å; V284-F319 HydrophobicContact CG1-CE1 4.23Å; V284-F319 HydrophobicContact CG2-CD1 3.83Å; V284-F319 HydrophobicContact CG2-CE1 4.22Å; V284-R321 PolarHBondContact N-O 3.12Å; V284-L322 HydrophobicContact CB-CD2 3.96Å; V284-L322 HydrophobicContact CG1-CD2 3.88Å; V284-L322 CarbonylContact O-C 3.53Å; V284-L322 VanDerWaalsContact O-CA 3.25Å; V284-L322 WeakPolarHBondContact O-CA 3.35Å; V284-L323 PolarHBondContact O-N 2.78Å |
| 285 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143 | -173.8 | -51.9 | -171.9 | 0 | 0 | 0 | 108.9 | F24 F25 A26 I27 L283 L323 T325 T386 F390 | F24-I285 HydrophobicContact CD2-CD1 3.38Å; F24-I285 HydrophobicContact CD2-CG1 4.08Å; F24-I285 HydrophobicContact CE2-CD1 3.68Å; F24-I285 HydrophobicContact CG-CD1 4.14Å; F25-I285 WeakPolarHBondContact O-CB 3.41Å; F25-I285 WeakPolarHBondContact O-CG1 3.47Å; F25-I285 PolarHBondContact O-N 3.25Å; A26-I285 CarbonylContact C-O 3.44Å; A26-I285 VanDerWaalsContact CA-O 3.23Å; A26-I285 WeakPolarHBondContact CA-O 3.45Å; A26-I285 HydrophobicContact CB-CB 4.28Å; I27-I285 PolarHBondContact N-O 3.4Å; L283-I285 HydrophobicContact CD1-CG1 4.33Å; L283-I285 HydrophobicContact CD2-CD1 3.73Å; L283-I285 HydrophobicContact CD2-CG1 3.97Å; L283-I285 HydrophobicContact CG-CD1 4.07Å; L283-I285 HydrophobicContact CG-CG1 3.74Å; I285-L323 WeakPolarHBondContact CA-O 3.33Å; I285-L323 HydrophobicContact CG2-CD2 4.22Å; I285-L323 WeakPolarHBondContact CG2-O 3.16Å; I285-T325 HydrophobicContact CG2-CG2 3.55Å; I285-T386 HydrophobicContact CG2-CG2 3.93Å; I285-F390 HydrophobicContact CD1-CB 3.86Å; I285-F390 HydrophobicContact CD1-CD1 3.18Å; I285-F390 HydrophobicContact CD1-CD2 3.74Å; I285-F390 HydrophobicContact CD1-CE1 3.52Å; I285-F390 HydrophobicContact CD1-CE2 4.04Å; I285-F390 HydrophobicContact CD1-CG 3.29Å; I285-F390 HydrophobicContact CD1-CZ 3.92Å; I285-F390 HydrophobicContact CG2-CB 4.04Å; I285-F390 HydrophobicContact CG2-CG 4.46Å |
| 286 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M289 L323 T325 T386 | G286-M289 VanDerWaalsContact N-CE 3.27Å; G286-L323 PolarHBondContact N-O 2.83Å; G286-T325 PolarHBondContact O-N 3.13Å; G286-T325 PolarHBondContact O-OG1 2.72Å; G286-T386 VanDerWaalsContact C-CG2 3.48Å |
| 287 | H | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -130.2 | 114.7 | 177.6 | -175.4 | 86.5 | 0 | 0 | 0 | 109.4 | M289 T325 T341 L343 T386 | H287-M289 PolarHBondContact O-N 2.86Å; H287-T325 WeakPolarHBondContact CB-OG1 3.31Å; H287-T325 PolarHBondContact ND1-OG1 2.85Å; H287-T341 PolarHBondContact CE1-O 2.89Å; H287-T341 PolarHBondContact NE2-O 3.24Å; H287-T341 VanDerWaalsContact NE2-O 3.1Å; H287-L343 HydrophobicContact CB-CD1 4.23Å; H287-L343 PolarHBondContact NE2-N 2.82Å; H287-T386 HydrophobicContact CB-CG2 4.23Å |
| 288 | N | 97.6 | Very high | 98.4 | Very high | 53 Ų | 53 | 22.5 Ų | 22.5 | 28% | 0.283 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 59.8 | 31.1 | -174.5 | -166.8 | 40.9 | 0 | 0 | 0 | 113.2 | L290 D324 K326 F423 | N288-L290 PolarHBondContact O-N 3.24Å; N288-D324 VanDerWaalsContact CA-OD2 3.32Å; N288-D324 WeakPolarHBondContact CA-OD2 3.43Å; N288-D324 PolarHBondContact N-OD1 2.92Å; N288-D324 PolarHBondContact N-OD2 3.44Å; N288-K326 HydrophobicContact CB-CD 3.67Å; N288-F423 VanDerWaalsContact OD1-CD1 3.25Å; N288-F423 WeakPolarHBondContact OD1-CD1 3.36Å |
| 289 | M | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 19.6 | -153.2 | 71.4 | 170.6 | 131 | 0 | 0 | 116 | G286 H287 L291 D292 V293 L322 L323 D324 L422 | G286-M289 VanDerWaalsContact N-CE 3.27Å; H287-M289 PolarHBondContact O-N 2.86Å; M289-L291 VanDerWaalsContact C-N 3.3Å; M289-L291 PolarHBondContact O-N 3.04Å; M289-D292 VanDerWaalsContact CA-OD2 3.23Å; M289-D292 WeakPolarHBondContact CA-OD2 3.21Å; M289-D292 HydrophobicContact CB-CB 4.18Å; M289-D292 PolarHBondContact O-N 2.95Å; M289-V293 HydrophobicContact CG-CG2 4.07Å; M289-V293 WeakPolarHBondContact O-CG2 3.41Å; M289-V293 PolarHBondContact O-N 2.97Å; M289-V293 HydrophobicContact SD-CG2 4.03Å; M289-L322 HydrophobicContact CE-CB 4.22Å; M289-L322 HydrophobicContact CE-CD2 4.02Å; M289-L322 HydrophobicContact SD-CD2 3.74Å; M289-L323 WeakPolarHBondContact CE-O 3.37Å; M289-D324 HydrophobicContact CE-CB 4.09Å; M289-D324 PolarHBondContact N-OD2 3.06Å; M289-D324 VanDerWaalsContact N-OD2 3.08Å; M289-L422 HydrophobicContact CE-CD2 4.02Å; M289-L422 HydrophobicContact CG-CD2 3.64Å; M289-L422 HydrophobicContact SD-CD2 4.2Å |
| 290 | L | 97.9 | Very high | 98.4 | Very high | 17 Ų | 17 | 15.7 Ų | 15.7 | 9% | 0.089 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | -176.1 | 179.7 | 59.9 | 0 | 0 | 0 | 111.5 | L57 N288 M294 L422 L424 L433 | L57-L290 HydrophobicContact CD1-CD2 3.66Å; L57-L290 HydrophobicContact CD1-CG 4.19Å; N288-L290 PolarHBondContact O-N 3.24Å; L290-M294 HydrophobicContact CD1-CG 4.47Å; L290-M294 HydrophobicContact CD1-SD 4.33Å; L290-M294 HydrophobicContact CG-SD 4.26Å; L290-M294 WeakPolarHBondContact O-CB 3.36Å; L290-M294 WeakPolarHBondContact O-CG 3.44Å; L290-M294 PolarHBondContact O-N 2.94Å; L290-M294 VanDerWaalsContact O-N 3.08Å; L290-L422 HydrophobicContact CD1-CB 4.42Å; L290-L422 HydrophobicContact CD1-CD1 3.81Å; L290-L424 HydrophobicContact CD2-CD1 4.1Å; L290-L433 HydrophobicContact CD1-CD2 3.9Å |
| 291 | L | 97.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 17% | 0.168 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.1 | -42.4 | 176.2 | -75 | 177 | 0 | 0 | 0 | 111.8 | F31 I34 L57 M62 M289 V293 M294 H295 | F31-L291 HydrophobicContact CE2-CB 4Å; F31-L291 HydrophobicContact CZ-CB 4.04Å; I34-L291 HydrophobicContact CG2-CD1 4.14Å; L57-L291 HydrophobicContact CD2-CD2 4.3Å; M62-L291 HydrophobicContact CE-CD2 4.12Å; M289-L291 VanDerWaalsContact C-N 3.3Å; M289-L291 PolarHBondContact O-N 3.04Å; L291-V293 VanDerWaalsContact C-N 3.33Å; L291-V293 PolarHBondContact O-N 3.32Å; L291-M294 PolarHBondContact O-N 3.07Å; L291-H295 WeakPolarHBondContact O-CB 3.36Å; L291-H295 PolarHBondContact O-CD2 3.1Å; L291-H295 PolarHBondContact O-N 2.89Å |
| 292 | D | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 15.5 Ų | 15.5 | 6% | 0.064 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 177.5 | -51.3 | -97.8 | 0 | 0 | 0 | 111.5 | G29 M289 T296 | G29-D292 PolarHBondContact N-OD1 3.41Å; M289-D292 VanDerWaalsContact CA-OD2 3.23Å; M289-D292 WeakPolarHBondContact CA-OD2 3.21Å; M289-D292 HydrophobicContact CB-CB 4.18Å; M289-D292 PolarHBondContact O-N 2.95Å; D292-T296 WeakPolarHBondContact O-CB 3.19Å; D292-T296 PolarHBondContact O-N 2.64Å; D292-T296 PolarHBondContact O-OG1 3.05Å |
| 293 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | M289 L291 T296 V297 F311 T315 F319 L322 L422 | M289-V293 HydrophobicContact CG-CG2 4.07Å; M289-V293 WeakPolarHBondContact O-CG2 3.41Å; M289-V293 PolarHBondContact O-N 2.97Å; M289-V293 HydrophobicContact SD-CG2 4.03Å; L291-V293 VanDerWaalsContact C-N 3.33Å; L291-V293 PolarHBondContact O-N 3.32Å; V293-T296 PolarHBondContact O-N 3.2Å; V293-V297 HydrophobicContact CG1-CG2 4.45Å; V293-V297 WeakPolarHBondContact O-CB 3.42Å; V293-V297 VanDerWaalsContact O-CG2 3.29Å; V293-V297 WeakPolarHBondContact O-CG2 3.48Å; V293-V297 PolarHBondContact O-N 3.47Å; V293-F311 HydrophobicContact CG1-CZ 4.17Å; V293-T315 HydrophobicContact CG1-CG2 3.49Å; V293-T315 VanDerWaalsContact CG1-CG2 3.49Å; V293-F319 HydrophobicContact CG1-CD2 4.39Å; V293-F319 HydrophobicContact CG2-CD2 4.28Å; V293-F319 HydrophobicContact CG2-CE2 4.29Å; V293-L322 HydrophobicContact CG1-CD1 4.49Å; V293-L322 HydrophobicContact CG2-CD1 4.12Å; V293-L322 HydrophobicContact CG2-CD2 4.15Å; V293-L422 HydrophobicContact CB-CD1 4.32Å; V293-L422 HydrophobicContact CG1-CD1 4.3Å; V293-L422 HydrophobicContact CG2-CD1 4.31Å; V293-L422 HydrophobicContact CG2-CD2 4.43Å |
| 294 | M | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 177.8 | -76.9 | -179.2 | 75.3 | 0 | 0 | 112.2 | Y54 L57 K58 M62 L290 L291 H298 L304 F311 | Y54-M294 HydrophobicContact CD2-CE 3.99Å; Y54-M294 HydrophobicContact CE2-CE 4.05Å; L57-M294 HydrophobicContact CB-CE 3.77Å; L57-M294 HydrophobicContact CB-SD 3.91Å; L57-M294 HydrophobicContact CD1-SD 4.04Å; K58-M294 HydrophobicContact CB-CE 4.3Å; M62-M294 HydrophobicContact CE-CB 3.74Å; M62-M294 HydrophobicContact CE-CE 4.27Å; M62-M294 HydrophobicContact CG-CE 4.4Å; M62-M294 HydrophobicContact SD-CB 3.84Å; M62-M294 HydrophobicContact SD-CE 4.26Å; L290-M294 HydrophobicContact CD1-CG 4.47Å; L290-M294 HydrophobicContact CD1-SD 4.33Å; L290-M294 HydrophobicContact CG-SD 4.26Å; L290-M294 WeakPolarHBondContact O-CB 3.36Å; L290-M294 WeakPolarHBondContact O-CG 3.44Å; L290-M294 PolarHBondContact O-N 2.94Å; L290-M294 VanDerWaalsContact O-N 3.08Å; L291-M294 PolarHBondContact O-N 3.07Å; M294-H298 WeakPolarHBondContact O-CB 3.23Å; M294-H298 PolarHBondContact O-N 3.1Å; M294-L304 HydrophobicContact CB-CD1 4.06Å; M294-L304 HydrophobicContact CE-CD1 3.46Å; M294-L304 VanDerWaalsContact CE-CD1 3.46Å; M294-L304 HydrophobicContact CG-CD1 4.19Å; M294-F311 HydrophobicContact CB-CZ 4.49Å; M294-F311 HydrophobicContact CG-CE1 4.28Å; M294-F311 HydrophobicContact CG-CE2 3.83Å; M294-F311 HydrophobicContact CG-CZ 3.48Å; M294-F311 VanDerWaalsContact CG-CZ 3.48Å |
| 295 | H | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.6 | -78.6 | -71.7 | 0 | 0 | 0 | 112.5 | F31 S61 M62 F64 L66 L291 V297 H298 Q299 | F31-H295 AromaticContact CD1-CD2 3.68Å; F31-H295 HydrophobicContact CE1-CB 4.31Å; F31-H295 AromaticContact CE1-CD2 3.53Å; S61-H295 PolarHBondContact O-CE1 2.99Å; M62-H295 WeakPolarHBondContact CE-NE2 3.46Å; F64-H295 PolarHBondContact O-CE1 2.88Å; F64-H295 PolarHBondContact O-ND1 3.01Å; L66-H295 HydrophobicContact CB-CB 3.87Å; L66-H295 HydrophobicContact CD1-CB 3.99Å; L291-H295 WeakPolarHBondContact O-CB 3.36Å; L291-H295 PolarHBondContact O-CD2 3.1Å; L291-H295 PolarHBondContact O-N 2.89Å; H295-V297 PolarHBondContact O-N 3.44Å; H295-H298 PolarHBondContact O-N 3.44Å; H295-Q299 WeakPolarHBondContact O-CB 3.27Å; H295-Q299 PolarHBondContact O-N 3.25Å |
| 296 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | F69 I274 D292 V293 F300 F319 | F69-T296 HydrophobicContact CE2-CG2 4.14Å; I274-T296 HydrophobicContact CD1-CG2 3.74Å; I274-T296 HydrophobicContact CG1-CG2 4.17Å; I274-T296 HydrophobicContact CG2-CG2 4.02Å; D292-T296 WeakPolarHBondContact O-CB 3.19Å; D292-T296 PolarHBondContact O-N 2.64Å; D292-T296 PolarHBondContact O-OG1 3.05Å; V293-T296 PolarHBondContact O-N 3.2Å; T296-F300 HydrophobicContact CG2-CD2 3.82Å; T296-F300 HydrophobicContact CG2-CE2 4.39Å; T296-F300 WeakPolarHBondContact O-CB 3.49Å; T296-F300 VanDerWaalsContact O-CD2 3.27Å; T296-F300 WeakPolarHBondContact O-CD2 3.49Å; T296-F300 PolarHBondContact O-N 3.11Å; T296-F300 VanDerWaalsContact O-N 3.1Å; T296-F319 HydrophobicContact CG2-CE2 4.07Å; T296-F319 HydrophobicContact CG2-CZ 3.81Å |
| 297 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | V293 H295 Q299 Y301 C302 L304 M314 V318 | V293-V297 HydrophobicContact CG1-CG2 4.45Å; V293-V297 WeakPolarHBondContact O-CB 3.42Å; V293-V297 VanDerWaalsContact O-CG2 3.29Å; V293-V297 WeakPolarHBondContact O-CG2 3.48Å; V293-V297 PolarHBondContact O-N 3.47Å; H295-V297 PolarHBondContact O-N 3.44Å; V297-Q299 PolarHBondContact O-N 3.12Å; V297-Y301 WeakPolarHBondContact O-CA 3.41Å; V297-Y301 WeakPolarHBondContact O-CB 3.21Å; V297-Y301 PolarHBondContact O-N 2.68Å; V297-Y301 VanDerWaalsContact O-N 3.07Å; V297-C302 CarbonylContact C-O 3.31Å; V297-C302 PolarHBondContact O-N 3.1Å; V297-L304 HydrophobicContact CB-CD2 4.1Å; V297-L304 HydrophobicContact CG1-CD2 3.82Å; V297-M314 HydrophobicContact CG1-CG 3.64Å; V297-M314 HydrophobicContact CG1-SD 3.34Å; V297-M314 WeakPolarHBondContact CG1-SD 3.04Å; V297-V318 HydrophobicContact CG2-CB 4.3Å; V297-V318 HydrophobicContact CG2-CG2 4.21Å |
| 298 | H | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | -177.4 | -173.2 | 18.5 | 0 | 0 | 0 | 113.6 | M62 M294 H295 C302 L304 | M62-H298 HydrophobicContact SD-CB 4.25Å; M294-H298 WeakPolarHBondContact O-CB 3.23Å; M294-H298 PolarHBondContact O-N 3.1Å; H295-H298 PolarHBondContact O-N 3.44Å; H298-C302 VanDerWaalsContact CA-O 3.32Å; H298-C302 WeakPolarHBondContact CA-O 3.42Å; H298-L304 HydrophobicContact CB-CD2 3.97Å; H298-L304 HydrophobicContact CB-CG 3.95Å |
| 299 | Q | 98.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -86.5 | -35.8 | -171.2 | -71.5 | 171.7 | -110.4 | 0 | 0 | 113.1 | L66 Y133 H295 V297 | L66-Q299 PolarHBondContact O-NE2 3.48Å; Y133-Q299 VanDerWaalsContact CD2-O 3.31Å; Y133-Q299 WeakPolarHBondContact CD2-O 3.37Å; Y133-Q299 HydrophobicContact CE2-CB 3.86Å; Y133-Q299 HydrophobicContact CE2-CG 4.43Å; Y133-Q299 WeakPolarHBondContact CE2-O 3.31Å; Y133-Q299 PolarHBondContact OH-NE2 3.18Å; H295-Q299 WeakPolarHBondContact O-CB 3.27Å; H295-Q299 PolarHBondContact O-N 3.25Å; V297-Q299 PolarHBondContact O-N 3.12Å |
| 300 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -114.4 | -7 | -168.6 | -44.1 | -57.9 | 0 | 0 | 0 | 114.3 | V92 Y133 F270 I274 T296 | V92-F300 HydrophobicContact CG2-CZ 4.11Å; Y133-F300 HydrophobicContact CD1-CD1 4.3Å; Y133-F300 AromaticContact CD1-CE1 3.67Å; Y133-F300 HydrophobicContact CD1-CE1 3.67Å; Y133-F300 AromaticContact CD2-CD1 3.7Å; Y133-F300 HydrophobicContact CD2-CD1 3.7Å; Y133-F300 AromaticContact CD2-CE1 3.78Å; Y133-F300 HydrophobicContact CD2-CE1 3.78Å; Y133-F300 AromaticContact CE1-CE1 3.93Å; Y133-F300 HydrophobicContact CE1-CE1 3.93Å; Y133-F300 HydrophobicContact CE2-CD1 4.26Å; Y133-F300 HydrophobicContact CE2-CE1 4.07Å; Y133-F300 AromaticContact CG-CD1 3.72Å; Y133-F300 HydrophobicContact CG-CD1 3.72Å; Y133-F300 AromaticContact CG-CE1 3.57Å; Y133-F300 HydrophobicContact CG-CE1 3.57Å; F270-F300 AromaticContact CD1-CD1 3.95Å; F270-F300 HydrophobicContact CD1-CD1 3.95Å; F270-F300 HydrophobicContact CD1-CD2 4.34Å; F270-F300 AromaticContact CD1-CE1 3.67Å; F270-F300 HydrophobicContact CD1-CE1 3.67Å; F270-F300 HydrophobicContact CD1-CE2 4.08Å; F270-F300 HydrophobicContact CD1-CG 4.29Å; F270-F300 AromaticContact CD1-CZ 3.75Å; F270-F300 HydrophobicContact CD1-CZ 3.75Å; F270-F300 HydrophobicContact CE1-CD2 4.19Å; F270-F300 HydrophobicContact CE1-CE1 4.27Å; F270-F300 AromaticContact CE1-CE2 3.84Å; F270-F300 HydrophobicContact CE1-CE2 3.84Å; F270-F300 AromaticContact CE1-CZ 3.9Å; F270-F300 HydrophobicContact CE1-CZ 3.9Å; I274-F300 HydrophobicContact CB-CB 4.3Å; I274-F300 HydrophobicContact CD1-CD2 4.28Å; I274-F300 HydrophobicContact CG1-CB 3.89Å; I274-F300 HydrophobicContact CG1-CD2 3.79Å; I274-F300 HydrophobicContact CG1-CG 3.97Å; I274-F300 HydrophobicContact CG2-CB 4.42Å; T296-F300 HydrophobicContact CG2-CD2 3.82Å; T296-F300 HydrophobicContact CG2-CE2 4.39Å; T296-F300 WeakPolarHBondContact O-CB 3.49Å; T296-F300 VanDerWaalsContact O-CD2 3.27Å; T296-F300 WeakPolarHBondContact O-CD2 3.49Å; T296-F300 PolarHBondContact O-N 3.11Å; T296-F300 VanDerWaalsContact O-N 3.1Å |
| 301 | Y | 95.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 27.4 Ų | 27.4 | 20% | 0.2 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -74.5 | 176.9 | -166.3 | -100.8 | 0 | 0 | 0 | 112 | N135 Q136 V297 M314 V318 | N135-Y301 WeakPolarHBondContact CB-O 3.39Å; Q136-Y301 WeakPolarHBondContact CB-O 3.35Å; Q136-Y301 PolarHBondContact N-O 2.89Å; Q136-Y301 VanDerWaalsContact OE1-CZ 3.32Å; Q136-Y301 PolarHBondContact OE1-OH 3.22Å; V297-Y301 WeakPolarHBondContact O-CA 3.41Å; V297-Y301 WeakPolarHBondContact O-CB 3.21Å; V297-Y301 PolarHBondContact O-N 2.68Å; V297-Y301 VanDerWaalsContact O-N 3.07Å; Y301-M314 HydrophobicContact CD1-CG 3.63Å; Y301-M314 HydrophobicContact CD1-SD 4.1Å; Y301-M314 HydrophobicContact CE1-CG 3.79Å; Y301-V318 HydrophobicContact CD1-CG2 3.94Å; Y301-V318 HydrophobicContact CD2-CG2 3.67Å; Y301-V318 HydrophobicContact CE1-CG2 4.47Å; Y301-V318 HydrophobicContact CE2-CG2 4.23Å; Y301-V318 HydrophobicContact CG-CG2 3.5Å; Y301-V318 VanDerWaalsContact CG-CG2 3.5Å |
| 302 | C | 93.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 10% | 0.101 | 15% | 0.153 | C | C | . | . | trans | -151.2 | 153.5 | 178.9 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | V297 H298 L304 M314 | V297-C302 CarbonylContact C-O 3.31Å; V297-C302 PolarHBondContact O-N 3.1Å; H298-C302 VanDerWaalsContact CA-O 3.32Å; H298-C302 WeakPolarHBondContact CA-O 3.42Å; C302-L304 PolarHBondContact O-N 2.93Å; C302-M314 HydrophobicContact CB-CE 3.79Å; C302-M314 HydrophobicContact CB-SD 3.83Å | ||
| 303 | P | 96.4 | Very high | 97 | Very high | 74 Ų | 74 | 31.8 Ų | 31.8 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -50.4 | 136.6 | 166.3 | -26.1 | 35.4 | 0 | 0 | 0 | 112.3 | ||
| 304 | L | 97.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 133.2 | -173.4 | -64.7 | -164.1 | 0 | 0 | 0 | 111.9 | Y54 K58 M62 M294 V297 H298 C302 F311 | Y54-L304 HydrophobicContact CE2-CD1 4.31Å; K58-L304 HydrophobicContact CD-CB 4.24Å; K58-L304 WeakPolarHBondContact CE-O 3.4Å; K58-L304 HydrophobicContact CG-CB 4.32Å; K58-L304 PolarHBondContact NZ-O 3.27Å; M62-L304 HydrophobicContact CG-CD1 3.81Å; M62-L304 HydrophobicContact SD-CD1 3.57Å; M62-L304 VanDerWaalsContact SD-CD1 3.57Å; M62-L304 HydrophobicContact SD-CG 4.34Å; M294-L304 HydrophobicContact CB-CD1 4.06Å; M294-L304 HydrophobicContact CE-CD1 3.46Å; M294-L304 VanDerWaalsContact CE-CD1 3.46Å; M294-L304 HydrophobicContact CG-CD1 4.19Å; V297-L304 HydrophobicContact CB-CD2 4.1Å; V297-L304 HydrophobicContact CG1-CD2 3.82Å; H298-L304 HydrophobicContact CB-CD2 3.97Å; H298-L304 HydrophobicContact CB-CG 3.95Å; C302-L304 PolarHBondContact O-N 2.93Å; L304-F311 HydrophobicContact CD2-CD2 4Å; L304-F311 HydrophobicContact CD2-CE2 4.06Å |
| 305 | P | 97.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 172.5 | -169.9 | 30.6 | -36.9 | 0 | 0 | 0 | 113.3 | Y54 K58 E310 F311 M314 | Y54-P305 WeakPolarHBondContact OH-CD 3.38Å; Y54-P305 PolarHBondContact OH-O 3.04Å; K58-P305 PolarHBondContact NZ-O 3.24Å; P305-E310 HydrophobicContact CB-CB 3.5Å; P305-E310 HydrophobicContact CB-CG 4.46Å; P305-E310 WeakPolarHBondContact CB-OE2 3.42Å; P305-E310 VanDerWaalsContact CG-C 3.5Å; P305-E310 HydrophobicContact CG-CB 3.59Å; P305-F311 HydrophobicContact CG-CB 3.88Å; P305-F311 VanDerWaalsContact CG-N 3.26Å; P305-M314 HydrophobicContact CB-CE 4.31Å; P305-M314 HydrophobicContact CG-CE 4.1Å |
| 306 | A | 95.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 35.3 Ų | 35.3 | 49% | 0.488 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -70 | -43.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q55 E310 | Q55-A306 PolarHBondContact NE2-O 3.46Å; A306-E310 PolarHBondContact N-OE2 2.97Å |
| 307 | D | 94.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -110.5 | 154.8 | -175.8 | -66 | -85.4 | 0 | 0 | 0 | 111.6 | S309 E310 F311 | D307-S309 VanDerWaalsContact C-N 3.28Å; D307-S309 PolarHBondContact O-N 2.97Å; D307-E310 PolarHBondContact O-N 3.02Å; D307-F311 PolarHBondContact O-N 2.75Å |
| 308 | L | 95.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -31.4 | -179 | 172.2 | 61.8 | 0 | 0 | 0 | 113.1 | P50 E51 Y54 F311 K312 L433 | P50-L308 HydrophobicContact CB-CD2 3.7Å; E51-L308 WeakPolarHBondContact OE2-CB 3.41Å; E51-L308 PolarHBondContact OE2-N 2.8Å; Y54-L308 HydrophobicContact CD1-CB 3.95Å; Y54-L308 HydrophobicContact CD1-CD1 4.47Å; Y54-L308 HydrophobicContact CD2-CD1 4.14Å; Y54-L308 HydrophobicContact CG-CB 4.2Å; Y54-L308 HydrophobicContact CG-CD1 3.91Å; L308-F311 HydrophobicContact CD1-CD1 3.86Å; L308-F311 WeakPolarHBondContact O-CB 3.16Å; L308-F311 PolarHBondContact O-N 2.9Å; L308-K312 HydrophobicContact CD1-CG 4.32Å; L308-K312 HydrophobicContact CG-CG 4.49Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.36Å; L308-L433 HydrophobicContact CD1-CD1 3.87Å; L308-L433 HydrophobicContact CD1-CD2 4.21Å; L308-L433 HydrophobicContact CD2-CD1 3.75Å; L308-L433 HydrophobicContact CG-CD1 4.31Å |
| 309 | S | 96.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 36.6 Ų | 36.6 | 48% | 0.476 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 179.5 | -163.2 | 0 | 0 | 0 | 0 | 111.4 | D307 F311 K312 E313 | D307-S309 VanDerWaalsContact C-N 3.28Å; D307-S309 PolarHBondContact O-N 2.97Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 3.34Å; S309-K312 WeakPolarHBondContact O-CB 3.21Å; S309-K312 PolarHBondContact O-N 2.94Å; S309-K312 VanDerWaalsContact O-N 3.11Å; S309-E313 PolarHBondContact O-N 3.45Å; S309-E313 PolarHBondContact OG-OE1 3.3Å |
| 310 | E | 96.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 38.5 Ų | 38.5 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 177 | -59.6 | 179.4 | 147.3 | 0 | 0 | 110.8 | P305 A306 D307 M314 | P305-E310 HydrophobicContact CB-CB 3.5Å; P305-E310 HydrophobicContact CB-CG 4.46Å; P305-E310 WeakPolarHBondContact CB-OE2 3.42Å; P305-E310 VanDerWaalsContact CG-C 3.5Å; P305-E310 HydrophobicContact CG-CB 3.59Å; A306-E310 PolarHBondContact N-OE2 2.97Å; D307-E310 PolarHBondContact O-N 3.02Å; E310-M314 VanDerWaalsContact O-CB 3.26Å; E310-M314 WeakPolarHBondContact O-CB 3.28Å; E310-M314 PolarHBondContact O-N 2.92Å |
| 311 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -38.3 | 175.2 | 170.3 | -104.9 | 0 | 0 | 0 | 112.5 | Y54 V293 M294 L304 P305 D307 L308 S309 T315 L433 | Y54-F311 HydrophobicContact CD2-CB 4.4Å; Y54-F311 HydrophobicContact CD2-CD1 4.04Å; Y54-F311 HydrophobicContact CD2-CG 4.14Å; Y54-F311 HydrophobicContact CE2-CB 3.65Å; Y54-F311 AromaticContact CE2-CD1 3.91Å; Y54-F311 HydrophobicContact CE2-CD1 3.91Å; Y54-F311 AromaticContact CE2-CD2 3.94Å; Y54-F311 HydrophobicContact CE2-CD2 3.94Å; Y54-F311 AromaticContact CE2-CG 3.53Å; Y54-F311 HydrophobicContact CE2-CG 3.53Å; V293-F311 HydrophobicContact CG1-CZ 4.17Å; M294-F311 HydrophobicContact CB-CZ 4.49Å; M294-F311 HydrophobicContact CG-CE1 4.28Å; M294-F311 HydrophobicContact CG-CE2 3.83Å; M294-F311 HydrophobicContact CG-CZ 3.48Å; M294-F311 VanDerWaalsContact CG-CZ 3.48Å; L304-F311 HydrophobicContact CD2-CD2 4Å; L304-F311 HydrophobicContact CD2-CE2 4.06Å; P305-F311 HydrophobicContact CG-CB 3.88Å; P305-F311 VanDerWaalsContact CG-N 3.26Å; D307-F311 PolarHBondContact O-N 2.75Å; L308-F311 HydrophobicContact CD1-CD1 3.86Å; L308-F311 WeakPolarHBondContact O-CB 3.16Å; L308-F311 PolarHBondContact O-N 2.9Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 3.34Å; F311-T315 WeakPolarHBondContact CE2-OG1 3.31Å; F311-T315 WeakPolarHBondContact CZ-OG1 3.28Å; F311-T315 VanDerWaalsContact O-CB 3.25Å; F311-T315 WeakPolarHBondContact O-CB 3.39Å; F311-T315 PolarHBondContact O-N 3.34Å; F311-T315 PolarHBondContact O-OG1 2.98Å; F311-L433 HydrophobicContact CE1-CD2 4.27Å |
| 312 | K | 97.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 175.1 | -68.4 | 178.2 | 178.3 | -167.2 | 0 | 111.3 | L308 S309 T315 T316 N434 L435 G437 D439 | L308-K312 HydrophobicContact CD1-CG 4.32Å; L308-K312 HydrophobicContact CG-CG 4.49Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.36Å; S309-K312 WeakPolarHBondContact O-CB 3.21Å; S309-K312 PolarHBondContact O-N 2.94Å; S309-K312 VanDerWaalsContact O-N 3.11Å; K312-T315 PolarHBondContact O-N 2.88Å; K312-T316 PolarHBondContact O-N 3.27Å; K312-T316 PolarHBondContact O-OG1 3.47Å; K312-N434 WeakPolarHBondContact CD-O 3.31Å; K312-N434 WeakPolarHBondContact CE-O 3.34Å; K312-N434 PolarHBondContact NZ-O 2.72Å; K312-L435 HydrophobicContact CG-CD2 4.03Å; K312-G437 PolarHBondContact NZ-O 2.84Å; K312-D439 IonicContact NZ-OD1 2.67Å; K312-D439 PolarHBondContact NZ-OD1 3.37Å; K312-D439 IonicContact NZ-OD2 3.64Å; K312-D439 PolarHBondContact NZ-OD2 3.5Å |
| 313 | E | 95.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 39.5 Ų | 39.5 | 55% | 0.547 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 176.3 | -68.9 | 168.3 | -143.2 | 0 | 0 | 111.7 | S309 T315 T316 C317 | S309-E313 PolarHBondContact O-N 3.45Å; S309-E313 PolarHBondContact OG-OE1 3.3Å; E313-T315 VanDerWaalsContact C-N 3.33Å; E313-T315 PolarHBondContact O-N 3.39Å; E313-T316 PolarHBondContact O-N 2.68Å; E313-T316 PolarHBondContact O-OG1 3.23Å; E313-C317 PolarHBondContact O-N 3.05Å; E313-C317 PolarHBondContact O-SG 3.11Å |
| 314 | M | 95.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 36 Ų | 36 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 176.4 | -169 | -179.5 | -70.8 | 0 | 0 | 112 | V297 Y301 C302 P305 E310 C317 V318 | V297-M314 HydrophobicContact CG1-CG 3.64Å; V297-M314 HydrophobicContact CG1-SD 3.34Å; V297-M314 WeakPolarHBondContact CG1-SD 3.04Å; Y301-M314 HydrophobicContact CD1-CG 3.63Å; Y301-M314 HydrophobicContact CD1-SD 4.1Å; Y301-M314 HydrophobicContact CE1-CG 3.79Å; C302-M314 HydrophobicContact CB-CE 3.79Å; C302-M314 HydrophobicContact CB-SD 3.83Å; P305-M314 HydrophobicContact CB-CE 4.31Å; P305-M314 HydrophobicContact CG-CE 4.1Å; E310-M314 VanDerWaalsContact O-CB 3.26Å; E310-M314 WeakPolarHBondContact O-CB 3.28Å; E310-M314 PolarHBondContact O-N 2.92Å; M314-C317 WeakPolarHBondContact O-CB 3.3Å; M314-C317 PolarHBondContact O-N 2.87Å; M314-V318 PolarHBondContact O-N 3.36Å |
| 315 | T | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | V293 F311 K312 E313 C317 V318 F319 L322 L435 | V293-T315 HydrophobicContact CG1-CG2 3.49Å; V293-T315 VanDerWaalsContact CG1-CG2 3.49Å; F311-T315 WeakPolarHBondContact CE2-OG1 3.31Å; F311-T315 WeakPolarHBondContact CZ-OG1 3.28Å; F311-T315 VanDerWaalsContact O-CB 3.25Å; F311-T315 WeakPolarHBondContact O-CB 3.39Å; F311-T315 PolarHBondContact O-N 3.34Å; F311-T315 PolarHBondContact O-OG1 2.98Å; K312-T315 PolarHBondContact O-N 2.88Å; E313-T315 VanDerWaalsContact C-N 3.33Å; E313-T315 PolarHBondContact O-N 3.39Å; T315-C317 VanDerWaalsContact C-N 3.26Å; T315-C317 PolarHBondContact O-N 2.91Å; T315-V318 PolarHBondContact O-N 3.4Å; T315-F319 PolarHBondContact O-N 3.3Å; T315-L322 HydrophobicContact CG2-CD1 3.73Å; T315-L435 HydrophobicContact CG2-CD1 3.71Å; T315-L435 HydrophobicContact CG2-CD2 4.37Å |
| 316 | T | 95.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 26% | 0.264 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69 | -23.8 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 113 | K312 E313 F319 P320 L435 | K312-T316 PolarHBondContact O-N 3.27Å; K312-T316 PolarHBondContact O-OG1 3.47Å; E313-T316 PolarHBondContact O-N 2.68Å; E313-T316 PolarHBondContact O-OG1 3.23Å; T316-F319 CarbonylContact O-C 3.4Å; T316-P320 WeakPolarHBondContact O-CA 3.33Å; T316-L435 HydrophobicContact CG2-CB 4.27Å |
| 317 | C | 94.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 52% | 0.52 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 170.3 | -65.1 | 0 | 0 | 0 | 0 | 113 | E313 M314 T315 | E313-C317 PolarHBondContact O-N 3.05Å; E313-C317 PolarHBondContact O-SG 3.11Å; M314-C317 WeakPolarHBondContact O-CB 3.3Å; M314-C317 PolarHBondContact O-N 2.87Å; T315-C317 VanDerWaalsContact C-N 3.26Å; T315-C317 PolarHBondContact O-N 2.91Å |
| 318 | V | 96 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -83.6 | -38.3 | 179 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | I274 A278 V297 Y301 M314 T315 | I274-V318 HydrophobicContact CG2-CG1 3.77Å; A278-V318 WeakPolarHBondContact CA-O 3.39Å; A278-V318 WeakPolarHBondContact CB-O 3.42Å; V297-V318 HydrophobicContact CG2-CB 4.3Å; V297-V318 HydrophobicContact CG2-CG2 4.21Å; Y301-V318 HydrophobicContact CD1-CG2 3.94Å; Y301-V318 HydrophobicContact CD2-CG2 3.67Å; Y301-V318 HydrophobicContact CE1-CG2 4.47Å; Y301-V318 HydrophobicContact CE2-CG2 4.23Å; Y301-V318 HydrophobicContact CG-CG2 3.5Å; Y301-V318 VanDerWaalsContact CG-CG2 3.5Å; M314-V318 PolarHBondContact O-N 3.36Å; T315-V318 PolarHBondContact O-N 3.4Å |
| 319 | F | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | trans | -133.8 | 87.9 | -179.2 | -61.6 | -51.2 | 0 | 0 | 0 | 110.3 | I27 I277 V284 V293 T296 T315 T316 R321 L322 | I27-F319 HydrophobicContact CD1-CE1 4.45Å; I27-F319 HydrophobicContact CD1-CE2 4.31Å; I27-F319 HydrophobicContact CD1-CZ 3.85Å; I277-F319 HydrophobicContact CG2-CD1 4.13Å; I277-F319 HydrophobicContact CG2-CE1 3.86Å; V284-F319 HydrophobicContact CB-CD1 4.33Å; V284-F319 HydrophobicContact CG1-CD1 4.26Å; V284-F319 HydrophobicContact CG1-CE1 4.23Å; V284-F319 HydrophobicContact CG2-CD1 3.83Å; V284-F319 HydrophobicContact CG2-CE1 4.22Å; V293-F319 HydrophobicContact CG1-CD2 4.39Å; V293-F319 HydrophobicContact CG2-CD2 4.28Å; V293-F319 HydrophobicContact CG2-CE2 4.29Å; T296-F319 HydrophobicContact CG2-CE2 4.07Å; T296-F319 HydrophobicContact CG2-CZ 3.81Å; T315-F319 PolarHBondContact O-N 3.3Å; T316-F319 CarbonylContact O-C 3.4Å; F319-R321 PolarHBondContact O-N 3.07Å; F319-L322 HydrophobicContact CB-CD1 3.81Å; F319-L322 HydrophobicContact CB-CD2 3.78Å; F319-L322 HydrophobicContact CB-CG 3.65Å; F319-L322 HydrophobicContact CD2-CD1 4.29Å; F319-L322 HydrophobicContact CD2-CD2 3.98Å; F319-L322 HydrophobicContact CG-CD1 4.48Å; F319-L322 HydrophobicContact CG-CD2 3.96Å; F319-L322 HydrophobicContact CG-CG 4.36Å | ||
| 320 | P | 96.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 28.5 Ų | 28.5 | 36% | 0.357 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -61 | -19.9 | -178.1 | -26.7 | 35.8 | 0 | 0 | 0 | 114.8 | T316 N420 | T316-P320 WeakPolarHBondContact O-CA 3.33Å; P320-N420 PolarHBondContact O-ND2 3.24Å |
| 321 | R | 98.1 | Very high | 97.2 | Very high | 86 Ų | 86 | 26.5 Ų | 26.5 | 33% | 0.325 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -149.4 | 104 | 179.6 | -168 | -177.7 | -71.3 | 159.1 | 4.7 | 111.5 | L283 V284 F319 F419 N420 | L283-R321 HydrophobicContact CD1-CG 3.76Å; V284-R321 PolarHBondContact N-O 3.12Å; F319-R321 PolarHBondContact O-N 3.07Å; R321-F419 HydrophobicContact CG-CB 4.31Å; R321-F419 HydrophobicContact CG-CD1 3.82Å; R321-F419 HydrophobicContact CG-CD2 3.99Å; R321-F419 HydrophobicContact CG-CE1 4.11Å; R321-F419 HydrophobicContact CG-CE2 4.28Å; R321-F419 HydrophobicContact CG-CG 3.78Å; R321-F419 HydrophobicContact CG-CZ 4.34Å; R321-N420 WeakPolarHBondContact CA-OD1 3.4Å |
| 322 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 151.5 | 175.1 | -71.8 | 161.1 | 0 | 0 | 0 | 111.6 | V284 M289 V293 T315 F319 F419 N420 L422 L435 | V284-L322 HydrophobicContact CB-CD2 3.96Å; V284-L322 HydrophobicContact CG1-CD2 3.88Å; V284-L322 CarbonylContact O-C 3.53Å; V284-L322 VanDerWaalsContact O-CA 3.25Å; V284-L322 WeakPolarHBondContact O-CA 3.35Å; M289-L322 HydrophobicContact CE-CB 4.22Å; M289-L322 HydrophobicContact CE-CD2 4.02Å; M289-L322 HydrophobicContact SD-CD2 3.74Å; V293-L322 HydrophobicContact CG1-CD1 4.49Å; V293-L322 HydrophobicContact CG2-CD1 4.12Å; V293-L322 HydrophobicContact CG2-CD2 4.15Å; T315-L322 HydrophobicContact CG2-CD1 3.73Å; F319-L322 HydrophobicContact CB-CD1 3.81Å; F319-L322 HydrophobicContact CB-CD2 3.78Å; F319-L322 HydrophobicContact CB-CG 3.65Å; F319-L322 HydrophobicContact CD2-CD1 4.29Å; F319-L322 HydrophobicContact CD2-CD2 3.98Å; F319-L322 HydrophobicContact CG-CD1 4.48Å; F319-L322 HydrophobicContact CG-CD2 3.96Å; F319-L322 HydrophobicContact CG-CG 4.36Å; L322-F419 CarbonylContact O-C 3.55Å; L322-F419 VanDerWaalsContact O-CA 3.29Å; L322-F419 WeakPolarHBondContact O-CA 3.42Å; L322-N420 PolarHBondContact N-OD1 3.33Å; L322-N420 PolarHBondContact O-N 3.06Å; L322-L422 HydrophobicContact CB-CD2 4.48Å; L322-L422 HydrophobicContact CD1-CD2 4.33Å; L322-L435 HydrophobicContact CD1-CD1 3.59Å |
| 323 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 118.3 | 166.5 | -177.7 | 155.7 | 0 | 0 | 0 | 110.6 | L283 V284 I285 G286 M289 T325 M328 F390 I415 F418 F419 | L283-L323 HydrophobicContact CD1-CB 3.81Å; V284-L323 PolarHBondContact O-N 2.78Å; I285-L323 WeakPolarHBondContact CA-O 3.33Å; I285-L323 HydrophobicContact CG2-CD2 4.22Å; I285-L323 WeakPolarHBondContact CG2-O 3.16Å; G286-L323 PolarHBondContact N-O 2.83Å; M289-L323 WeakPolarHBondContact CE-O 3.37Å; L323-T325 HydrophobicContact CD2-CG2 4.25Å; L323-M328 HydrophobicContact CD1-SD 4.46Å; L323-M328 HydrophobicContact CD2-CB 4.45Å; L323-M328 HydrophobicContact CD2-SD 3.99Å; L323-F390 HydrophobicContact CD1-CD2 4.05Å; L323-F390 HydrophobicContact CD1-CE2 3.77Å; L323-F390 HydrophobicContact CD2-CD2 3.86Å; L323-F390 HydrophobicContact CD2-CE2 4.42Å; L323-I415 HydrophobicContact CD1-CB 4.41Å; L323-F418 HydrophobicContact CD1-CB 3.86Å; L323-F418 HydrophobicContact CG-CB 4.03Å; L323-F419 HydrophobicContact CD1-CD1 4.31Å; L323-F419 HydrophobicContact CD1-CE1 4.31Å |
| 324 | D | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.4 | 176.8 | -168.3 | -39.1 | 0 | 0 | 0 | 110.9 | N288 M289 K326 L327 M328 F423 | N288-D324 VanDerWaalsContact CA-OD2 3.32Å; N288-D324 WeakPolarHBondContact CA-OD2 3.43Å; N288-D324 PolarHBondContact N-OD1 2.92Å; N288-D324 PolarHBondContact N-OD2 3.44Å; M289-D324 HydrophobicContact CE-CB 4.09Å; M289-D324 PolarHBondContact N-OD2 3.06Å; M289-D324 VanDerWaalsContact N-OD2 3.08Å; D324-K326 VanDerWaalsContact C-N 3.27Å; D324-K326 PolarHBondContact O-N 2.87Å; D324-K326 WeakPolarHBondContact OD1-CA 3.48Å; D324-K326 VanDerWaalsContact OD1-CB 3.23Å; D324-K326 WeakPolarHBondContact OD1-CB 3.39Å; D324-K326 PolarHBondContact OD1-N 2.95Å; D324-L327 HydrophobicContact CB-CB 4.03Å; D324-L327 PolarHBondContact O-N 3.29Å; D324-L327 PolarHBondContact OD1-N 2.88Å; D324-M328 PolarHBondContact O-N 2.72Å; D324-F423 VanDerWaalsContact OD2-CB 3.25Å; D324-F423 WeakPolarHBondContact OD2-CB 3.33Å; D324-F423 PolarHBondContact OD2-N 3.19Å; D324-F423 VanDerWaalsContact OD2-N 3.09Å |
| 325 | T | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -28.5 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | I285 G286 H287 L323 M328 A329 T386 F390 M393 | I285-T325 HydrophobicContact CG2-CG2 3.55Å; G286-T325 PolarHBondContact O-N 3.13Å; G286-T325 PolarHBondContact O-OG1 2.72Å; H287-T325 WeakPolarHBondContact CB-OG1 3.31Å; H287-T325 PolarHBondContact ND1-OG1 2.85Å; L323-T325 HydrophobicContact CD2-CG2 4.25Å; T325-M328 PolarHBondContact O-N 3.27Å; T325-A329 VanDerWaalsContact O-CB 3.3Å; T325-A329 WeakPolarHBondContact O-CB 3.36Å; T325-A329 PolarHBondContact O-N 2.93Å; T325-T386 HydrophobicContact CG2-CG2 3.93Å; T325-F390 HydrophobicContact CG2-CB 3.96Å; T325-M393 HydrophobicContact CG2-CE 4.24Å |
| 326 | K | 98.5 | Very high | 96.7 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.4 | -39.8 | 175.8 | -169.9 | 170.3 | -177 | 61.1 | 0 | 110.8 | N288 D324 S330 T341 F423 | N288-K326 HydrophobicContact CB-CD 3.67Å; D324-K326 VanDerWaalsContact C-N 3.27Å; D324-K326 PolarHBondContact O-N 2.87Å; D324-K326 WeakPolarHBondContact OD1-CA 3.48Å; D324-K326 VanDerWaalsContact OD1-CB 3.23Å; D324-K326 WeakPolarHBondContact OD1-CB 3.39Å; D324-K326 PolarHBondContact OD1-N 2.95Å; K326-S330 VanDerWaalsContact O-CB 3.3Å; K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.08Å; K326-S330 VanDerWaalsContact O-N 3.12Å; K326-S330 PolarHBondContact O-OG 3.01Å; K326-T341 VanDerWaalsContact NZ-C 3.28Å; K326-T341 PolarHBondContact NZ-O 3.48Å; K326-T341 PolarHBondContact NZ-OG1 2.92Å; K326-F423 HydrophobicContact CB-CB 4.44Å; K326-F423 HydrophobicContact CB-CD2 4.41Å; K326-F423 HydrophobicContact CB-CG 4.29Å; K326-F423 HydrophobicContact CD-CD1 3.76Å; K326-F423 HydrophobicContact CD-CD2 4.5Å; K326-F423 HydrophobicContact CD-CE1 3.74Å; K326-F423 HydrophobicContact CD-CG 4.13Å; K326-F423 HydrophobicContact CD-CZ 4.13Å; K326-F423 VanDerWaalsContact CE-CE1 3.49Å; K326-F423 HydrophobicContact CG-CD1 4.2Å; K326-F423 HydrophobicContact CG-CD2 4.05Å; K326-F423 HydrophobicContact CG-CE1 4.24Å; K326-F423 HydrophobicContact CG-CE2 4.11Å; K326-F423 HydrophobicContact CG-CG 4.08Å; K326-F423 HydrophobicContact CG-CZ 4.2Å |
| 327 | L | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 172.6 | 179.2 | 61.8 | 0 | 0 | 0 | 111.5 | D324 A329 S330 T331 K421 F423 P431 Y432 | D324-L327 HydrophobicContact CB-CB 4.03Å; D324-L327 PolarHBondContact O-N 3.29Å; D324-L327 PolarHBondContact OD1-N 2.88Å; L327-A329 PolarHBondContact O-N 3.14Å; L327-S330 CarbonylContact O-C 3.2Å; L327-S330 PolarHBondContact O-N 3.17Å; L327-S330 VanDerWaalsContact O-N 3.08Å; L327-T331 WeakPolarHBondContact O-CB 3.25Å; L327-T331 PolarHBondContact O-N 3.45Å; L327-T331 VanDerWaalsContact O-N 3.17Å; L327-T331 PolarHBondContact O-OG1 3.5Å; L327-K421 HydrophobicContact CD2-CB 3.46Å; L327-K421 VanDerWaalsContact CD2-CB 3.46Å; L327-K421 WeakPolarHBondContact CD2-O 3.4Å; L327-F423 HydrophobicContact CB-CB 4.17Å; L327-F423 HydrophobicContact CB-CD2 4.19Å; L327-F423 HydrophobicContact CD1-CD2 4.39Å; L327-P431 HydrophobicContact CD1-CB 4.47Å; L327-Y432 HydrophobicContact CD1-CD1 4.08Å; L327-Y432 HydrophobicContact CD2-CD1 4.23Å; L327-Y432 HydrophobicContact CD2-CG 4.13Å |
| 328 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.2 | -51.6 | 177.6 | -170.7 | -179.8 | -169.6 | 0 | 0 | 111 | L323 D324 T325 S330 T331 F334 F390 M393 L397 I415 F418 | L323-M328 HydrophobicContact CD1-SD 4.46Å; L323-M328 HydrophobicContact CD2-CB 4.45Å; L323-M328 HydrophobicContact CD2-SD 3.99Å; D324-M328 PolarHBondContact O-N 2.72Å; T325-M328 PolarHBondContact O-N 3.27Å; M328-S330 PolarHBondContact O-N 3.47Å; M328-T331 PolarHBondContact O-N 3.23Å; M328-T331 VanDerWaalsContact O-N 3.14Å; M328-F334 HydrophobicContact CE-CE2 3.92Å; M328-F334 HydrophobicContact CE-CZ 3.89Å; M328-F334 HydrophobicContact CG-CD2 4.25Å; M328-F334 HydrophobicContact CG-CE2 3.87Å; M328-F334 WeakPolarHBondContact O-CD2 3.42Å; M328-F390 HydrophobicContact SD-CD2 4.23Å; M328-M393 HydrophobicContact CB-CE 4.19Å; M328-M393 HydrophobicContact CB-SD 4.38Å; M328-M393 HydrophobicContact CE-CB 3.82Å; M328-M393 HydrophobicContact CG-CE 4.22Å; M328-M393 HydrophobicContact CG-SD 4.09Å; M328-M393 HydrophobicContact SD-CB 3.9Å; M328-M393 HydrophobicContact SD-CE 3.9Å; M328-M393 HydrophobicContact SD-SD 4.25Å; M328-L397 HydrophobicContact CE-CD1 3.75Å; M328-I415 HydrophobicContact CE-CG2 4.22Å; M328-F418 HydrophobicContact CB-CD1 4.18Å; M328-F418 HydrophobicContact CB-CG 4.5Å; M328-F418 HydrophobicContact CE-CD2 4.1Å; M328-F418 HydrophobicContact CE-CE2 4.05Å; M328-F418 HydrophobicContact CG-CD1 3.97Å; M328-F418 HydrophobicContact CG-CD2 4.28Å; M328-F418 HydrophobicContact CG-CE1 4.05Å; M328-F418 HydrophobicContact CG-CE2 4.37Å; M328-F418 HydrophobicContact CG-CG 4.1Å; M328-F418 HydrophobicContact CG-CZ 4.26Å |
| 329 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -27.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T325 L327 T331 F334 I338 T341 L346 M393 | T325-A329 VanDerWaalsContact O-CB 3.3Å; T325-A329 WeakPolarHBondContact O-CB 3.36Å; T325-A329 PolarHBondContact O-N 2.93Å; L327-A329 PolarHBondContact O-N 3.14Å; A329-T331 VanDerWaalsContact C-N 3.34Å; A329-F334 WeakPolarHBondContact O-CB 3.36Å; A329-I338 HydrophobicContact CB-CD1 4.1Å; A329-I338 HydrophobicContact CB-CG2 4.5Å; A329-T341 HydrophobicContact CB-CG2 3.74Å; A329-L346 HydrophobicContact CB-CD1 3.65Å; A329-L346 HydrophobicContact CB-CD2 4.07Å; A329-M393 HydrophobicContact CB-CE 4.47Å; A329-M393 HydrophobicContact CB-SD 3.82Å |
| 330 | S | 95.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.2 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | K326 L327 M328 K335 | K326-S330 VanDerWaalsContact O-CB 3.3Å; K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.08Å; K326-S330 VanDerWaalsContact O-N 3.12Å; K326-S330 PolarHBondContact O-OG 3.01Å; L327-S330 CarbonylContact O-C 3.2Å; L327-S330 PolarHBondContact O-N 3.17Å; L327-S330 VanDerWaalsContact O-N 3.08Å; M328-S330 PolarHBondContact O-N 3.47Å; S330-K335 WeakPolarHBondContact O-CD 3.44Å |
| 331 | T | 94.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112.9 | 156.1 | -176 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | L327 M328 A329 F334 K335 F418 | L327-T331 WeakPolarHBondContact O-CB 3.25Å; L327-T331 PolarHBondContact O-N 3.45Å; L327-T331 VanDerWaalsContact O-N 3.17Å; L327-T331 PolarHBondContact O-OG1 3.5Å; M328-T331 PolarHBondContact O-N 3.23Å; M328-T331 VanDerWaalsContact O-N 3.14Å; A329-T331 VanDerWaalsContact C-N 3.34Å; T331-F334 WeakPolarHBondContact O-CA 3.34Å; T331-F334 WeakPolarHBondContact O-CB 3.46Å; T331-F334 PolarHBondContact O-N 3.36Å; T331-K335 PolarHBondContact O-N 2.99Å; T331-F418 HydrophobicContact CG2-CE1 3.84Å |
| 332 | Q | 92.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 144.7 | 175.2 | -65.5 | -62.7 | 16.1 | 0 | 0 | 111.7 | D336 | Q332-D336 PolarHBondContact NE2-OD1 2.9Å; Q332-D336 PolarHBondContact NE2-OD2 3.44Å; Q332-D336 PolarHBondContact OE1-OD1 3.17Å |
| 333 | P | 96.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 39 Ų | 39 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.9 | 5.7 | 4.5 | 35.9 | -37.5 | 0 | 0 | 0 | 115.1 | Y396 L397 F400 | P333-Y396 HydrophobicContact CB-CE1 4.45Å; P333-Y396 HydrophobicContact CG-CE1 3.98Å; P333-L397 HydrophobicContact CG-CD2 3.77Å; P333-F400 HydrophobicContact CB-CE2 4.49Å; P333-F400 HydrophobicContact CB-CZ 3.96Å; P333-F400 HydrophobicContact CG-CE2 3.96Å; P333-F400 HydrophobicContact CG-CZ 3.93Å |
| 334 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.3 | -174.4 | -54.7 | -78 | 0 | 0 | 0 | 113.3 | M328 A329 T331 D336 I337 I338 F355 M393 Y396 L397 F418 | M328-F334 HydrophobicContact CE-CE2 3.92Å; M328-F334 HydrophobicContact CE-CZ 3.89Å; M328-F334 HydrophobicContact CG-CD2 4.25Å; M328-F334 HydrophobicContact CG-CE2 3.87Å; M328-F334 WeakPolarHBondContact O-CD2 3.42Å; A329-F334 WeakPolarHBondContact O-CB 3.36Å; T331-F334 WeakPolarHBondContact O-CA 3.34Å; T331-F334 WeakPolarHBondContact O-CB 3.46Å; T331-F334 PolarHBondContact O-N 3.36Å; F334-D336 PolarHBondContact O-N 3.08Å; F334-D336 VanDerWaalsContact O-N 3.13Å; F334-I337 CarbonylContact O-C 3.59Å; F334-I337 VanDerWaalsContact O-CG1 3.3Å; F334-I337 WeakPolarHBondContact O-CG1 3.35Å; F334-I337 PolarHBondContact O-N 3.45Å; F334-I338 HydrophobicContact CB-CD1 4.01Å; F334-I338 HydrophobicContact CB-CG1 4.37Å; F334-I338 HydrophobicContact CD1-CD1 4.23Å; F334-I338 PolarHBondContact O-N 3.42Å; F334-F355 AromaticContact CD1-CE1 3.94Å; F334-F355 HydrophobicContact CD1-CE1 3.94Å; F334-F355 HydrophobicContact CD1-CZ 4.14Å; F334-F355 AromaticContact CE1-CE1 4Å; F334-F355 HydrophobicContact CE1-CE1 4Å; F334-M393 HydrophobicContact CD1-CB 4.32Å; F334-M393 HydrophobicContact CD1-CG 3.91Å; F334-M393 HydrophobicContact CD1-SD 4.13Å; F334-M393 HydrophobicContact CE1-CB 3.52Å; F334-M393 HydrophobicContact CE1-CG 3.59Å; F334-M393 HydrophobicContact CE1-SD 4.24Å; F334-M393 HydrophobicContact CE2-CB 4.49Å; F334-M393 HydrophobicContact CG-SD 4.34Å; F334-M393 HydrophobicContact CZ-CB 3.62Å; F334-M393 HydrophobicContact CZ-CG 4.11Å; F334-M393 WeakPolarHBondContact CZ-O 3.45Å; F334-Y396 HydrophobicContact CD1-CD1 4.13Å; F334-Y396 AromaticContact CE1-CD1 3.58Å; F334-Y396 HydrophobicContact CE1-CD1 3.58Å; F334-Y396 HydrophobicContact CE1-CE1 4.36Å; F334-Y396 HydrophobicContact CE1-CG 4.43Å; F334-Y396 HydrophobicContact CZ-CD1 4.28Å; F334-L397 HydrophobicContact CE2-CD1 4.34Å; F334-L397 HydrophobicContact CE2-CD2 3.89Å; F334-L397 HydrophobicContact CE2-CG 4.25Å; F334-L397 HydrophobicContact CZ-CD1 4.17Å; F334-L397 HydrophobicContact CZ-CD2 3.71Å; F334-L397 HydrophobicContact CZ-CG 3.76Å; F334-F418 HydrophobicContact CE2-CZ 4.17Å |
| 335 | K | 93.6 | Very high | 96 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.8 | -178.7 | -170.2 | 175.4 | -175.3 | 164.7 | 0 | 113.8 | S330 T331 W639 | S330-K335 WeakPolarHBondContact O-CD 3.44Å; T331-K335 PolarHBondContact O-N 2.99Å; K335-W639 HydrophobicContact CD-CH2 4.22Å; K335-W639 VanDerWaalsContact NZ-CH2 3.29Å |
| 336 | D | 93.6 | Very high | 95.9 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 65% | 0.647 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14 | 178.4 | -69 | -9.8 | 0 | 0 | 0 | 114 | Q332 F334 | Q332-D336 PolarHBondContact NE2-OD1 2.9Å; Q332-D336 PolarHBondContact NE2-OD2 3.44Å; Q332-D336 PolarHBondContact OE1-OD1 3.17Å; F334-D336 PolarHBondContact O-N 3.08Å; F334-D336 VanDerWaalsContact O-N 3.13Å |
| 337 | I | 95.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -8.8 | -171.6 | 58.7 | 177.5 | 0 | 0 | 0 | 114.3 | F334 R349 P354 F355 Y396 | F334-I337 CarbonylContact O-C 3.59Å; F334-I337 VanDerWaalsContact O-CG1 3.3Å; F334-I337 WeakPolarHBondContact O-CG1 3.35Å; F334-I337 PolarHBondContact O-N 3.45Å; I337-R349 PolarHBondContact O-NE 3.2Å; I337-R349 PolarHBondContact O-NH2 2.81Å; I337-P354 HydrophobicContact CD1-CG 4.04Å; I337-F355 HydrophobicContact CD1-CE1 4.08Å; I337-F355 HydrophobicContact CD1-CE2 4.03Å; I337-F355 HydrophobicContact CD1-CZ 3.38Å; I337-F355 HydrophobicContact CG1-CE2 4.37Å; I337-F355 HydrophobicContact CG1-CZ 3.91Å; I337-Y396 HydrophobicContact CD1-CD1 4.34Å; I337-Y396 HydrophobicContact CD1-CE1 3.53Å; I337-Y396 HydrophobicContact CD1-CE2 4.4Å |
| 338 | I | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -122.6 | 109 | 177 | -54.3 | -173.2 | 0 | 0 | 0 | 109.2 | A329 F334 N340 T341 L346 R349 L350 F355 M393 | A329-I338 HydrophobicContact CB-CD1 4.1Å; A329-I338 HydrophobicContact CB-CG2 4.5Å; F334-I338 HydrophobicContact CB-CD1 4.01Å; F334-I338 HydrophobicContact CB-CG1 4.37Å; F334-I338 HydrophobicContact CD1-CD1 4.23Å; F334-I338 PolarHBondContact O-N 3.42Å; I338-N340 VanDerWaalsContact CG2-O 3.26Å; I338-N340 WeakPolarHBondContact CG2-O 3.29Å; I338-T341 HydrophobicContact CG2-CG2 3.99Å; I338-L346 HydrophobicContact CD1-CD1 3.72Å; I338-L346 HydrophobicContact CG2-CD1 3.84Å; I338-R349 HydrophobicContact CG1-CG 4.24Å; I338-R349 HydrophobicContact CG2-CG 4.4Å; I338-L350 HydrophobicContact CD1-CD2 3.92Å; I338-F355 HydrophobicContact CD1-CE2 4.33Å; I338-F355 HydrophobicContact CD1-CZ 3.88Å; I338-F355 HydrophobicContact CG1-CE2 4.16Å; I338-F355 HydrophobicContact CG1-CZ 3.98Å; I338-M393 HydrophobicContact CD1-SD 4.37Å | ||
| 339 | N | 94 | Very high | 95.5 | Very high | 162 Ų | 162 | 50.3 Ų | 50.3 | 87% | 0.866 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -88.8 | -23.9 | -175.4 | -62.9 | -33.3 | 0 | 0 | 0 | 113.9 | ||
| 340 | N | 95.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | trans | -132.8 | 134.6 | 178.7 | -175.5 | 5.7 | 0 | 0 | 0 | 108.9 | I338 S342 E345 | I338-N340 VanDerWaalsContact CG2-O 3.26Å; I338-N340 WeakPolarHBondContact CG2-O 3.29Å; N340-S342 PolarHBondContact ND2-OG 3.12Å; N340-S342 PolarHBondContact OD1-N 3.13Å; N340-S342 VanDerWaalsContact OD1-N 3.16Å; N340-S342 PolarHBondContact OD1-OG 2.94Å; N340-E345 HydrophobicContact CB-CB 4.34Å; N340-E345 HydrophobicContact CB-CG 3.78Å; N340-E345 WeakPolarHBondContact ND2-CG 3.3Å | ||
| 341 | T | 96.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | trans | -121.3 | 24.8 | -174.6 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | H287 K326 A329 I338 | H287-T341 PolarHBondContact CE1-O 2.89Å; H287-T341 PolarHBondContact NE2-O 3.24Å; H287-T341 VanDerWaalsContact NE2-O 3.1Å; K326-T341 VanDerWaalsContact NZ-C 3.28Å; K326-T341 PolarHBondContact NZ-O 3.48Å; K326-T341 PolarHBondContact NZ-OG1 2.92Å; A329-T341 HydrophobicContact CB-CG2 3.74Å; I338-T341 HydrophobicContact CG2-CG2 3.99Å | ||
| 342 | S | 96 | Very high | 95.5 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.5 | 144 | 159.5 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | N340 A344 E345 L346 | N340-S342 PolarHBondContact ND2-OG 3.12Å; N340-S342 PolarHBondContact OD1-N 3.13Å; N340-S342 VanDerWaalsContact OD1-N 3.16Å; N340-S342 PolarHBondContact OD1-OG 2.94Å; S342-A344 PolarHBondContact O-N 2.86Å; S342-E345 PolarHBondContact O-N 2.86Å; S342-E345 VanDerWaalsContact O-N 3.11Å; S342-E345 WeakPolarHBondContact OG-CB 3.32Å; S342-L346 VanDerWaalsContact O-CB 3.27Å; S342-L346 WeakPolarHBondContact O-CB 3.37Å; S342-L346 PolarHBondContact O-N 2.95Å |
| 343 | L | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.2 | -48.6 | -172.1 | -174.6 | 60.2 | 0 | 0 | 0 | 113.2 | H287 E345 L346 E347 D382 I385 T386 | H287-L343 HydrophobicContact CB-CD1 4.23Å; H287-L343 PolarHBondContact NE2-N 2.82Å; L343-E345 PolarHBondContact O-N 2.65Å; L343-L346 PolarHBondContact O-N 3.39Å; L343-E347 WeakPolarHBondContact O-CB 3.3Å; L343-E347 PolarHBondContact O-N 3.08Å; L343-D382 HydrophobicContact CD2-CB 3.85Å; L343-I385 HydrophobicContact CD1-CG2 3.88Å; L343-I385 HydrophobicContact CD2-CG2 4.34Å; L343-I385 HydrophobicContact CG-CG2 3.89Å; L343-T386 WeakPolarHBondContact CD1-OG1 3.41Å |
| 344 | A | 93.2 | Very high | 95.6 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S342 K348 L376 | S342-A344 PolarHBondContact O-N 2.86Å; A344-K348 WeakPolarHBondContact O-CD 3.19Å; A344-K348 WeakPolarHBondContact O-CG 3.46Å; A344-K348 PolarHBondContact O-N 3.35Å; A344-L376 HydrophobicContact CB-CD1 3.7Å; A344-L376 HydrophobicContact CB-CD2 4.21Å |
| 345 | E | 95.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.6 | -33 | 177.8 | -170.4 | 61.8 | -163.6 | 0 | 0 | 111.3 | N340 S342 L343 K348 R349 | N340-E345 HydrophobicContact CB-CB 4.34Å; N340-E345 HydrophobicContact CB-CG 3.78Å; N340-E345 WeakPolarHBondContact ND2-CG 3.3Å; S342-E345 PolarHBondContact O-N 2.86Å; S342-E345 VanDerWaalsContact O-N 3.11Å; S342-E345 WeakPolarHBondContact OG-CB 3.32Å; L343-E345 PolarHBondContact O-N 2.65Å; E345-K348 PolarHBondContact O-N 2.99Å; E345-R349 VanDerWaalsContact O-CB 3.3Å; E345-R349 WeakPolarHBondContact O-CB 3.23Å; E345-R349 PolarHBondContact O-N 3.39Å |
| 346 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 172.8 | -177.1 | 61.8 | 0 | 0 | 0 | 110.7 | A329 I338 S342 L343 K348 R349 L350 C389 M393 | A329-L346 HydrophobicContact CB-CD1 3.65Å; A329-L346 HydrophobicContact CB-CD2 4.07Å; I338-L346 HydrophobicContact CD1-CD1 3.72Å; I338-L346 HydrophobicContact CG2-CD1 3.84Å; S342-L346 VanDerWaalsContact O-CB 3.27Å; S342-L346 WeakPolarHBondContact O-CB 3.37Å; S342-L346 PolarHBondContact O-N 2.95Å; L343-L346 PolarHBondContact O-N 3.39Å; L346-K348 PolarHBondContact O-N 3.4Å; L346-R349 PolarHBondContact O-N 2.88Å; L346-L350 HydrophobicContact CD1-CD1 3.75Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CG-CD1 3.75Å; L346-L350 HydrophobicContact CG-CG 4.39Å; L346-L350 VanDerWaalsContact O-CB 3.28Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 3.33Å; L346-C389 HydrophobicContact CD2-CB 4.24Å; L346-C389 HydrophobicContact CG-CB 4.41Å; L346-M393 HydrophobicContact CD2-CE 4.46Å |
| 347 | E | 95.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.4 | -52 | 173.9 | -162.7 | -78.5 | 169.7 | 0 | 0 | 111.4 | L343 L350 K351 I385 | L343-E347 WeakPolarHBondContact O-CB 3.3Å; L343-E347 PolarHBondContact O-N 3.08Å; E347-L350 PolarHBondContact O-N 3.48Å; E347-K351 VanDerWaalsContact CD-CE 3.47Å; E347-K351 PolarHBondContact O-N 3.16Å; E347-K351 WeakPolarHBondContact OE1-CE 3.25Å; E347-K351 IonicContact OE1-NZ 3.41Å; E347-K351 PolarHBondContact OE1-NZ 3.25Å; E347-K351 VanDerWaalsContact OE2-CE 3.32Å; E347-K351 WeakPolarHBondContact OE2-CE 3.23Å; E347-K351 IonicContact OE2-NZ 3.25Å; E347-K351 PolarHBondContact OE2-NZ 2.91Å; E347-I385 HydrophobicContact CB-CG2 3.83Å; E347-I385 HydrophobicContact CG-CD1 4.1Å; E347-I385 HydrophobicContact CG-CG2 3.46Å; E347-I385 VanDerWaalsContact CG-CG2 3.46Å |
| 348 | K | 94.7 | Very high | 95.4 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 178.9 | -70.1 | 169.1 | -174.3 | 177 | 0 | 111.1 | A344 E345 L346 L350 K351 E374 | A344-K348 WeakPolarHBondContact O-CD 3.19Å; A344-K348 WeakPolarHBondContact O-CG 3.46Å; A344-K348 PolarHBondContact O-N 3.35Å; E345-K348 PolarHBondContact O-N 2.99Å; L346-K348 PolarHBondContact O-N 3.4Å; K348-L350 VanDerWaalsContact C-N 3.31Å; K348-L350 PolarHBondContact O-N 2.84Å; K348-K351 PolarHBondContact O-N 3.1Å; K348-E374 WeakPolarHBondContact CE-OE1 3.3Å; K348-E374 IonicContact NZ-OE1 2.78Å; K348-E374 PolarHBondContact NZ-OE1 3.32Å |
| 349 | R | 97 | Very high | 95.3 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -37 | 179.6 | 177.1 | 60.2 | -165.5 | 108.6 | -11.9 | 113.1 | I337 I338 E345 L346 K351 E352 T353 | I337-R349 PolarHBondContact O-NE 3.2Å; I337-R349 PolarHBondContact O-NH2 2.81Å; I338-R349 HydrophobicContact CG1-CG 4.24Å; I338-R349 HydrophobicContact CG2-CG 4.4Å; E345-R349 VanDerWaalsContact O-CB 3.3Å; E345-R349 WeakPolarHBondContact O-CB 3.23Å; E345-R349 PolarHBondContact O-N 3.39Å; L346-R349 PolarHBondContact O-N 2.88Å; R349-K351 VanDerWaalsContact C-N 3.27Å; R349-K351 PolarHBondContact O-N 3.08Å; R349-E352 PolarHBondContact NH1-O 3.33Å; R349-E352 IonicContact NH1-OE2 2.68Å; R349-E352 PolarHBondContact O-N 2.72Å; R349-T353 PolarHBondContact NH1-O 2.91Å; R349-T353 PolarHBondContact NH2-O 2.85Å; R349-T353 VanDerWaalsContact NH2-O 3.1Å |
| 350 | L | 97.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.8 | -177.1 | -70.6 | 175.4 | 0 | 0 | 0 | 114.4 | I338 L346 E347 K348 F355 C389 S392 M393 | I338-L350 HydrophobicContact CD1-CD2 3.92Å; L346-L350 HydrophobicContact CD1-CD1 3.75Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CG-CD1 3.75Å; L346-L350 HydrophobicContact CG-CG 4.39Å; L346-L350 VanDerWaalsContact O-CB 3.28Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 3.33Å; E347-L350 PolarHBondContact O-N 3.48Å; K348-L350 VanDerWaalsContact C-N 3.31Å; K348-L350 PolarHBondContact O-N 2.84Å; L350-F355 HydrophobicContact CD2-CB 4.46Å; L350-F355 HydrophobicContact CD2-CD1 3.5Å; L350-F355 VanDerWaalsContact CD2-CD1 3.5Å; L350-F355 HydrophobicContact CD2-CD2 3.78Å; L350-F355 HydrophobicContact CD2-CE1 3.52Å; L350-F355 HydrophobicContact CD2-CE2 3.78Å; L350-F355 HydrophobicContact CD2-CG 3.64Å; L350-F355 HydrophobicContact CD2-CZ 3.65Å; L350-F355 VanDerWaalsContact O-CB 3.27Å; L350-F355 WeakPolarHBondContact O-CB 3.41Å; L350-C389 HydrophobicContact CD1-CB 3.72Å; L350-C389 WeakPolarHBondContact CD1-O 3.5Å; L350-S392 PolarHBondContact O-OG 2.84Å; L350-M393 HydrophobicContact CD1-CE 4.41Å; L350-M393 HydrophobicContact CD1-CG 3.84Å; L350-M393 HydrophobicContact CD1-SD 4.36Å; L350-M393 HydrophobicContact CD2-CG 3.65Å; L350-M393 HydrophobicContact CG-CG 4.44Å |
| 351 | K | 95.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.5 | 166 | -70.2 | 167.2 | 171.8 | 161.3 | 0 | 113 | E347 K348 R349 P357 | E347-K351 VanDerWaalsContact CD-CE 3.47Å; E347-K351 PolarHBondContact O-N 3.16Å; E347-K351 WeakPolarHBondContact OE1-CE 3.25Å; E347-K351 IonicContact OE1-NZ 3.41Å; E347-K351 PolarHBondContact OE1-NZ 3.25Å; E347-K351 VanDerWaalsContact OE2-CE 3.32Å; E347-K351 WeakPolarHBondContact OE2-CE 3.23Å; E347-K351 IonicContact OE2-NZ 3.25Å; E347-K351 PolarHBondContact OE2-NZ 2.91Å; K348-K351 PolarHBondContact O-N 3.1Å; R349-K351 VanDerWaalsContact C-N 3.27Å; R349-K351 PolarHBondContact O-N 3.08Å; K351-P357 HydrophobicContact CG-CB 4.39Å |
| 352 | E | 96.3 | Very high | 95.4 | Very high | 119 Ų | 119 | 60.1 Ų | 60.1 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -99.2 | 157.7 | -174.4 | -60.8 | -177.9 | 157.5 | 0 | 0 | 112.9 | R349 F355 | R349-E352 PolarHBondContact NH1-O 3.33Å; R349-E352 IonicContact NH1-OE2 2.68Å; R349-E352 PolarHBondContact O-N 2.72Å; E352-F355 WeakPolarHBondContact O-CA 3.49Å; E352-F355 VanDerWaalsContact O-CB 3.29Å; E352-F355 WeakPolarHBondContact O-CB 3.26Å; E352-F355 WeakPolarHBondContact O-CD2 3.27Å; E352-F355 PolarHBondContact O-N 3.11Å |
| 353 | T | 94.7 | Very high | 95.4 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 74% | 0.742 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 141.9 | 176.9 | 52 | 0 | 0 | 0 | 0 | 112.5 | R349 F355 | R349-T353 PolarHBondContact NH1-O 2.91Å; R349-T353 PolarHBondContact NH2-O 2.85Å; R349-T353 VanDerWaalsContact NH2-O 3.1Å; T353-F355 VanDerWaalsContact C-N 3.33Å |
| 354 | P | 96.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 67 Ų | 67 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.6 | 5.8 | 7.1 | 37.4 | -38.4 | 0 | 0 | 0 | 114.6 | I337 Y396 | I337-P354 HydrophobicContact CD1-CG 4.04Å; P354-Y396 HydrophobicContact CB-CD2 4.29Å; P354-Y396 HydrophobicContact CB-CE2 3.75Å; P354-Y396 HydrophobicContact CG-CD2 4.1Å; P354-Y396 HydrophobicContact CG-CE2 3.46Å; P354-Y396 VanDerWaalsContact CG-CE2 3.46Å |
| 355 | F | 97.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | trans | -77.7 | 175.7 | 178.3 | -52.5 | -74.8 | 0 | 0 | 0 | 111.8 | F334 I337 I338 L350 E352 T353 Y396 | F334-F355 AromaticContact CD1-CE1 3.94Å; F334-F355 HydrophobicContact CD1-CE1 3.94Å; F334-F355 HydrophobicContact CD1-CZ 4.14Å; F334-F355 AromaticContact CE1-CE1 4Å; F334-F355 HydrophobicContact CE1-CE1 4Å; I337-F355 HydrophobicContact CD1-CE1 4.08Å; I337-F355 HydrophobicContact CD1-CE2 4.03Å; I337-F355 HydrophobicContact CD1-CZ 3.38Å; I337-F355 HydrophobicContact CG1-CE2 4.37Å; I337-F355 HydrophobicContact CG1-CZ 3.91Å; I338-F355 HydrophobicContact CD1-CE2 4.33Å; I338-F355 HydrophobicContact CD1-CZ 3.88Å; I338-F355 HydrophobicContact CG1-CE2 4.16Å; I338-F355 HydrophobicContact CG1-CZ 3.98Å; L350-F355 HydrophobicContact CD2-CB 4.46Å; L350-F355 HydrophobicContact CD2-CD1 3.5Å; L350-F355 VanDerWaalsContact CD2-CD1 3.5Å; L350-F355 HydrophobicContact CD2-CD2 3.78Å; L350-F355 HydrophobicContact CD2-CE1 3.52Å; L350-F355 HydrophobicContact CD2-CE2 3.78Å; L350-F355 HydrophobicContact CD2-CG 3.64Å; L350-F355 HydrophobicContact CD2-CZ 3.65Å; L350-F355 VanDerWaalsContact O-CB 3.27Å; L350-F355 WeakPolarHBondContact O-CB 3.41Å; E352-F355 WeakPolarHBondContact O-CA 3.49Å; E352-F355 VanDerWaalsContact O-CB 3.29Å; E352-F355 WeakPolarHBondContact O-CB 3.26Å; E352-F355 WeakPolarHBondContact O-CD2 3.27Å; E352-F355 PolarHBondContact O-N 3.11Å; T353-F355 VanDerWaalsContact C-N 3.33Å; F355-Y396 HydrophobicContact CD1-CD2 4.29Å; F355-Y396 AromaticContact CD1-CG 3.95Å; F355-Y396 HydrophobicContact CD1-CG 3.95Å; F355-Y396 AromaticContact CE1-CD1 3.86Å; F355-Y396 HydrophobicContact CE1-CD1 3.86Å; F355-Y396 HydrophobicContact CE1-CD2 4.3Å; F355-Y396 HydrophobicContact CE1-CE1 4.45Å; F355-Y396 AromaticContact CE1-CG 3.75Å; F355-Y396 HydrophobicContact CE1-CG 3.75Å | ||
| 356 | S | 92.8 | Very high | 94.8 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | trans | -148.5 | 131.2 | 172.8 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | S392 | S356-S392 PolarHBondContact O-OG 3.4Š| ||
| 357 | P | 92.6 | Very high | 94.4 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 133.1 | -178.9 | 25.2 | -33.4 | 0 | 0 | 0 | 110.3 | K351 | K351-P357 HydrophobicContact CG-CB 4.39Š|
| 358 | P | 93.9 | Very high | 94 | Very high | 26 Ų | 26 | 73.4 Ų | 73.4 | 17% | 0.169 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 142.8 | 179.4 | 29 | -35 | 0 | 0 | 0 | 111.3 | V360 L388 I391 | P358-V360 PolarHBondContact O-N 3.27Å; P358-L388 HydrophobicContact CG-CB 4.41Å; P358-L388 HydrophobicContact CG-CD2 4.06Å; P358-I391 HydrophobicContact CB-CB 4.21Å; P358-I391 HydrophobicContact CB-CG2 3.54Å; P358-I391 HydrophobicContact CG-CB 4.24Å; P358-I391 HydrophobicContact CG-CG2 4.11Å |
| 359 | K | 95.5 | Very high | 93.5 | Very high | 147 Ų | 147 | 70.9 Ų | 70.9 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 120.3 | 166.3 | -66.9 | -176.4 | -179.9 | -178 | 0 | 108.8 | K82 Y83 | K82-K359 WeakPolarHBondContact CA-O 3.47Å; K82-K359 HydrophobicContact CB-CB 3.94Å; Y83-K359 PolarHBondContact N-O 3.41Å |
| 360 | V | 95.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 73.1 Ų | 73.1 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.4 | -177.1 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | Y83 T85 P358 Y384 L388 | Y83-V360 CarbonylContact O-C 3.45Å; Y83-V360 VanDerWaalsContact O-CA 3.31Å; Y83-V360 WeakPolarHBondContact O-CA 3.31Å; T85-V360 HydrophobicContact CG2-CG2 3.49Å; T85-V360 VanDerWaalsContact CG2-CG2 3.49Å; P358-V360 PolarHBondContact O-N 3.27Å; V360-Y384 WeakPolarHBondContact CG1-OH 3.25Å; V360-Y384 HydrophobicContact CG2-CE2 4.03Å; V360-L388 HydrophobicContact CB-CD2 4.09Å; V360-L388 HydrophobicContact CG1-CD2 3.91Å; V360-L388 HydrophobicContact CG2-CD2 4.03Å |
| 361 | E | 95.5 | Very high | 90.9 | Very high | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.7 | -179.4 | -169 | 173.6 | -169.6 | 0 | 0 | 109.7 | K82 Y83 I84 T85 | K82-E361 WeakPolarHBondContact CD-OE2 3.01Å; K82-E361 WeakPolarHBondContact CE-OE2 3.47Å; K82-E361 IonicContact NZ-OE2 2.75Å; K82-E361 PolarHBondContact NZ-OE2 3Å; Y83-E361 PolarHBondContact O-N 3.14Å; I84-E361 CarbonylContact C-O 3.55Å; I84-E361 WeakPolarHBondContact CA-O 3.33Å; T85-E361 PolarHBondContact N-O 2.98Å; T85-E361 PolarHBondContact OG1-O 3.45Å |
| 362 | S | 95.8 | Very high | 89.2 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 20% | 0.203 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.9 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | F366 P367 | S362-F366 WeakPolarHBondContact OG-CB 3.49Å; S362-F366 PolarHBondContact OG-O 3.04Å; S362-P367 PolarHBondContact OG-O 3.44Å |
| 363 | A | 95.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 151.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I84 T85 K86 G365 F366 | I84-A363 HydrophobicContact CG2-CB 3.77Å; T85-A363 PolarHBondContact O-N 3.26Å; K86-A363 HydrophobicContact CD-CB 4.17Å; K86-A363 HydrophobicContact CG-CB 3.62Å; A363-G365 PolarHBondContact O-N 3.3Å; A363-F366 HydrophobicContact CB-CB 4.39Å; A363-F366 HydrophobicContact CB-CD2 3.98Å; A363-F366 HydrophobicContact CB-CG 4.37Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 3.16Å |
| 364 | E | 91.6 | Very high | 86 | Confident | 199 Ų | 199 | 72.4 Ų | 72.4 | 93% | 0.93 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 130.8 | 176.1 | -170.1 | 179.6 | -174.7 | 0 | 0 | 111.2 | F366 | E364-F366 VanDerWaalsContact C-N 3.28Å; E364-F366 PolarHBondContact O-N 2.61Å |
| 365 | G | 88.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A363 | A363-G365 PolarHBondContact O-N 3.3Š|
| 366 | F | 92.6 | Very high | 83.3 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -101.9 | 139.6 | 172.5 | -81.7 | -103.3 | 0 | 0 | 0 | 112.1 | M1 K86 F88 S362 A363 E364 S368 | M1-F366 HydrophobicContact CG-CD1 3.82Å; M1-F366 HydrophobicContact CG-CE1 3.95Å; M1-F366 HydrophobicContact SD-CD1 3.73Å; M1-F366 HydrophobicContact SD-CE1 3.31Å; M1-F366 WeakPolarHBondContact SD-CE1 3.49Å; M1-F366 HydrophobicContact SD-CZ 3.87Å; K86-F366 HydrophobicContact CB-CD1 3.64Å; K86-F366 HydrophobicContact CB-CE1 3.61Å; K86-F366 HydrophobicContact CB-CG 4.18Å; K86-F366 HydrophobicContact CB-CZ 4.13Å; K86-F366 HydrophobicContact CD-CD1 4.5Å; K86-F366 HydrophobicContact CD-CD2 4.19Å; K86-F366 HydrophobicContact CD-CE1 4.08Å; K86-F366 HydrophobicContact CD-CE2 3.74Å; K86-F366 HydrophobicContact CD-CZ 3.68Å; K86-F366 HydrophobicContact CG-CD1 3.84Å; K86-F366 HydrophobicContact CG-CD2 3.94Å; K86-F366 HydrophobicContact CG-CE1 3.87Å; K86-F366 HydrophobicContact CG-CE2 3.98Å; K86-F366 HydrophobicContact CG-CG 3.88Å; K86-F366 HydrophobicContact CG-CZ 3.94Å; F88-F366 AromaticContact CE1-CE1 3.74Å; F88-F366 HydrophobicContact CE1-CE1 3.74Å; F88-F366 HydrophobicContact CE1-CZ 4.33Å; F88-F366 HydrophobicContact CE2-CE1 4.27Å; F88-F366 AromaticContact CZ-CE1 3.53Å; F88-F366 HydrophobicContact CZ-CE1 3.53Å; F88-F366 HydrophobicContact CZ-CZ 4.02Å; S362-F366 WeakPolarHBondContact OG-CB 3.49Å; S362-F366 PolarHBondContact OG-O 3.04Å; A363-F366 HydrophobicContact CB-CB 4.39Å; A363-F366 HydrophobicContact CB-CD2 3.98Å; A363-F366 HydrophobicContact CB-CG 4.37Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 3.16Å; E364-F366 VanDerWaalsContact C-N 3.28Å; E364-F366 PolarHBondContact O-N 2.61Å; F366-S368 PolarHBondContact O-N 3.35Å |
| 367 | P | 89.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.6 | 172.3 | -21.5 | 32.8 | 0 | 0 | 0 | 111.5 | M1 S362 | M1-P367 HydrophobicContact CG-CG 4.21Å; S362-P367 PolarHBondContact OG-O 3.44Å |
| 368 | S | 86.6 | Confident | 82.5 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -89 | 140 | 171.7 | 54.2 | 0 | 0 | 0 | 0 | 111 | F366 | F366-S368 PolarHBondContact O-N 3.35Š|
| 369 | Y | 83.6 | Confident | 82.6 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 14% | 0.137 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 139.4 | 162.8 | -62.7 | -65.3 | 0 | 0 | 0 | 110.3 | S87 E378 G380 Y381 Y384 | S87-Y369 VanDerWaalsContact OG-CE2 3.29Å; S87-Y369 WeakPolarHBondContact OG-CE2 3.45Å; Y369-E378 WeakPolarHBondContact CE1-OE1 3.18Å; Y369-E378 PolarHBondContact OH-OE1 2.94Å; Y369-G380 WeakPolarHBondContact CE2-O 3.37Å; Y369-G380 VanDerWaalsContact OH-C 3.29Å; Y369-Y381 AromaticContact CD1-CD2 3.66Å; Y369-Y381 HydrophobicContact CD1-CD2 3.66Å; Y369-Y381 HydrophobicContact CD1-CG 4.5Å; Y369-Y381 HydrophobicContact CD2-CD2 4.14Å; Y369-Y381 HydrophobicContact CE1-CD2 4.19Å; Y369-Y381 AromaticContact CG-CD2 3.63Å; Y369-Y381 HydrophobicContact CG-CD2 3.63Å; Y369-Y381 HydrophobicContact CG-CE2 4.35Å; Y369-Y381 PolarHBondContact OH-N 3.31Å; Y369-Y384 AromaticContact CD2-CD1 3.85Å; Y369-Y384 HydrophobicContact CD2-CD1 3.85Å; Y369-Y384 AromaticContact CD2-CG 3.99Å; Y369-Y384 HydrophobicContact CD2-CG 3.99Å; Y369-Y384 HydrophobicContact CG-CD1 4.4Å |
| 370 | D | 71 | Confident | 82.7 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 120.7 | 166.6 | -176.7 | 0.3 | 0 | 0 | 0 | 109.2 | A372 S373 | D370-A372 PolarHBondContact O-N 3.38Å; D370-A372 WeakPolarHBondContact OD1-CB 3.47Å; D370-A372 PolarHBondContact OD1-N 2.9Å; D370-S373 PolarHBondContact O-N 2.91Å; D370-S373 VanDerWaalsContact O-N 3.14Å; D370-S373 VanDerWaalsContact O-O 3.09Å; D370-S373 PolarHBondContact O-OG 3.46Å |
| 371 | T | 68.4 | Low | 82.7 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.6 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | Y384 I385 L388 | T371-Y384 HydrophobicContact CG2-CE1 4.08Å; T371-I385 HydrophobicContact CG2-CD1 4.11Å; T371-L388 HydrophobicContact CG2-CD1 4.27Å |
| 372 | A | 60.5 | Low | 82.8 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 69% | 0.694 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -22 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | D370 | D370-A372 PolarHBondContact O-N 3.38Å; D370-A372 WeakPolarHBondContact OD1-CB 3.47Å; D370-A372 PolarHBondContact OD1-N 2.9Å |
| 373 | S | 61.4 | Low | 82.9 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -91.6 | 112.3 | 167 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | D370 Q375 | D370-S373 PolarHBondContact O-N 2.91Å; D370-S373 VanDerWaalsContact O-N 3.14Å; D370-S373 VanDerWaalsContact O-O 3.09Å; D370-S373 PolarHBondContact O-OG 3.46Å; S373-Q375 VanDerWaalsContact C-N 3.28Å; S373-Q375 PolarHBondContact O-N 3.19Å |
| 374 | E | 62.2 | Low | 83 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | trans | -70.1 | 84.7 | 173.5 | -68.6 | -172.2 | 155 | 0 | 0 | 110.1 | K348 L376 | K348-E374 WeakPolarHBondContact CE-OE1 3.3Å; K348-E374 IonicContact NZ-OE1 2.78Å; K348-E374 PolarHBondContact NZ-OE1 3.32Å; E374-L376 HydrophobicContact CB-CD1 4.45Å; E374-L376 PolarHBondContact O-N 2.72Å | ||
| 375 | Q | 69.6 | Low | 83.3 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | trans | -95.4 | 39.9 | 171.8 | -164.4 | 171.4 | -11.3 | 0 | 0 | 110.8 | S373 E378 Y381 | S373-Q375 VanDerWaalsContact C-N 3.28Å; S373-Q375 PolarHBondContact O-N 3.19Å; Q375-E378 PolarHBondContact NE2-OE2 2.74Å; Q375-Y381 VanDerWaalsContact C-CD1 3.45Å; Q375-Y381 HydrophobicContact CB-CD2 4.21Å; Q375-Y381 HydrophobicContact CB-CE2 4.41Å; Q375-Y381 HydrophobicContact CB-CG 4.33Å; Q375-Y381 WeakPolarHBondContact O-CB 3.35Å; Q375-Y381 WeakPolarHBondContact O-CD1 3.32Å; Q375-Y381 VanDerWaalsContact O-CG 3.27Å | ||
| 376 | L | 66.3 | Low | 83.8 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -60.4 | 152.1 | 175.3 | -69.6 | 162.1 | 0 | 0 | 0 | 110.1 | A344 E374 Y381 D382 | A344-L376 HydrophobicContact CB-CD1 3.7Å; A344-L376 HydrophobicContact CB-CD2 4.21Å; E374-L376 HydrophobicContact CB-CD1 4.45Å; E374-L376 PolarHBondContact O-N 2.72Å; L376-Y381 HydrophobicContact CD2-CD1 4.32Å; L376-Y381 HydrophobicContact CD2-CE1 3.83Å; L376-Y381 HydrophobicContact CG-CE1 4.01Å; L376-D382 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 377 | H | 78.8 | Confident | 84 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 69.5 | 33.9 | 179.7 | -40.2 | -55.8 | 0 | 0 | 0 | 113.6 | E30 F115 Q119 D382 | E30-H377 VanDerWaalsContact OE1-C 3.27Å; E30-H377 WeakPolarHBondContact OE1-CA 3.49Å; F115-H377 HydrophobicContact CE1-CB 3.99Å; F115-H377 AromaticContact CE1-CG 3.69Å; F115-H377 AromaticContact CE1-ND1 3.94Å; F115-H377 HydrophobicContact CZ-CB 4.23Å; F115-H377 AromaticContact CZ-CD2 3.45Å; F115-H377 VanDerWaalsContact CZ-CD2 3.45Å; F115-H377 WeakPolarHBondContact CZ-CD2 3.47Å; F115-H377 AromaticContact CZ-CE1 3.86Å; F115-H377 AromaticContact CZ-CG 3.5Å; F115-H377 VanDerWaalsContact CZ-CG 3.5Å; F115-H377 AromaticContact CZ-ND1 3.76Å; F115-H377 AromaticContact CZ-NE2 3.67Å; Q119-H377 HydrophobicContact CB-CB 4.31Å; Q119-H377 HydrophobicContact CG-CB 3.88Å; H377-D382 PolarHBondContact N-OD1 3.38Å |
| 378 | E | 91.4 | Very high | 84.5 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | trans | -119.7 | 120.1 | 153.4 | 178.5 | -165.8 | 114.2 | 0 | 0 | 106.5 | N89 Y369 Q375 G380 Y381 D382 | N89-E378 VanDerWaalsContact ND2-CD 3.28Å; N89-E378 PolarHBondContact ND2-OE1 3.05Å; Y369-E378 WeakPolarHBondContact CE1-OE1 3.18Å; Y369-E378 PolarHBondContact OH-OE1 2.94Å; Q375-E378 PolarHBondContact NE2-OE2 2.74Å; E378-G380 PolarHBondContact O-N 2.99Å; E378-Y381 WeakPolarHBondContact O-CA 3.5Å; E378-Y381 WeakPolarHBondContact O-CB 3.05Å; E378-Y381 PolarHBondContact O-N 3.11Å; E378-D382 PolarHBondContact O-N 3.33Å | ||
| 379 | A | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.2 | -37 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D28 E30 Q68 G70 Y381 A383 | D28-A379 HydrophobicContact CB-CB 4.41Å; E30-A379 HydrophobicContact CG-CB 4.26Å; Q68-A379 HydrophobicContact CG-CB 4.26Å; Q68-A379 VanDerWaalsContact OE1-N 3.15Å; G70-A379 VanDerWaalsContact N-CB 3.32Å; A379-Y381 VanDerWaalsContact C-N 3.33Å; A379-Y381 PolarHBondContact O-N 3.19Å; A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 3.38Å |
| 380 | G | 96.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -29.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N89 Y369 E378 Y384 | N89-G380 WeakPolarHBondContact OD1-CA 3.37Å; N89-G380 PolarHBondContact OD1-N 2.94Å; Y369-G380 WeakPolarHBondContact CE2-O 3.37Å; Y369-G380 VanDerWaalsContact OH-C 3.29Å; E378-G380 PolarHBondContact O-N 2.99Å; G380-Y384 WeakPolarHBondContact O-CB 3.26Å; G380-Y384 PolarHBondContact O-N 3.22Å |
| 381 | Y | 96.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.8 | -48.6 | 173.3 | -179.5 | -94.3 | 0 | 0 | 0 | 110.8 | Y369 Q375 L376 E378 A379 A383 Y384 I385 | Y369-Y381 AromaticContact CD1-CD2 3.66Å; Y369-Y381 HydrophobicContact CD1-CD2 3.66Å; Y369-Y381 HydrophobicContact CD1-CG 4.5Å; Y369-Y381 HydrophobicContact CD2-CD2 4.14Å; Y369-Y381 HydrophobicContact CE1-CD2 4.19Å; Y369-Y381 AromaticContact CG-CD2 3.63Å; Y369-Y381 HydrophobicContact CG-CD2 3.63Å; Y369-Y381 HydrophobicContact CG-CE2 4.35Å; Y369-Y381 PolarHBondContact OH-N 3.31Å; Q375-Y381 VanDerWaalsContact C-CD1 3.45Å; Q375-Y381 HydrophobicContact CB-CD2 4.21Å; Q375-Y381 HydrophobicContact CB-CE2 4.41Å; Q375-Y381 HydrophobicContact CB-CG 4.33Å; Q375-Y381 WeakPolarHBondContact O-CB 3.35Å; Q375-Y381 WeakPolarHBondContact O-CD1 3.32Å; Q375-Y381 VanDerWaalsContact O-CG 3.27Å; L376-Y381 HydrophobicContact CD2-CD1 4.32Å; L376-Y381 HydrophobicContact CD2-CE1 3.83Å; L376-Y381 HydrophobicContact CG-CE1 4.01Å; E378-Y381 WeakPolarHBondContact O-CA 3.5Å; E378-Y381 WeakPolarHBondContact O-CB 3.05Å; E378-Y381 PolarHBondContact O-N 3.11Å; A379-Y381 VanDerWaalsContact C-N 3.33Å; A379-Y381 PolarHBondContact O-N 3.19Å; Y381-A383 VanDerWaalsContact C-N 3.29Å; Y381-A383 PolarHBondContact O-N 3.31Å; Y381-Y384 CarbonylContact O-C 3.55Å; Y381-Y384 WeakPolarHBondContact O-CA 3.47Å; Y381-Y384 WeakPolarHBondContact O-CB 3.37Å; Y381-Y384 PolarHBondContact O-N 2.84Å; Y381-I385 HydrophobicContact CD1-CG1 3.94Å; Y381-I385 HydrophobicContact CE1-CD1 4.17Å; Y381-I385 HydrophobicContact CE1-CG1 3.53Å; Y381-I385 HydrophobicContact CE2-CD1 4.25Å; Y381-I385 HydrophobicContact CE2-CG1 4.29Å; Y381-I385 HydrophobicContact CG-CG1 4.49Å; Y381-I385 WeakPolarHBondContact O-CG1 3.36Å; Y381-I385 PolarHBondContact O-N 3Å |
| 382 | D | 97.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | 179.5 | -80.1 | 37.1 | 0 | 0 | 0 | 111.2 | D28 L343 L376 H377 E378 T386 | D28-D382 HydrophobicContact CB-CB 4.34Å; L343-D382 HydrophobicContact CD2-CB 3.85Å; L376-D382 WeakPolarHBondContact CA-OD1 3.43Å; H377-D382 PolarHBondContact N-OD1 3.38Å; E378-D382 PolarHBondContact O-N 3.33Å; D382-T386 WeakPolarHBondContact O-CB 3.33Å; D382-T386 PolarHBondContact O-N 2.7Å; D382-T386 PolarHBondContact O-OG1 3.49Å |
| 383 | A | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A26 D28 C72 A379 Y381 T386 G387 | A26-A383 WeakPolarHBondContact CB-O 3.29Å; D28-A383 HydrophobicContact CB-CB 4.04Å; C72-A383 HydrophobicContact CB-CB 4.17Å; A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 3.38Å; Y381-A383 VanDerWaalsContact C-N 3.29Å; Y381-A383 PolarHBondContact O-N 3.31Å; A383-T386 PolarHBondContact O-N 2.77Å; A383-G387 PolarHBondContact O-N 2.77Å |
| 384 | Y | 97.9 | Very high | 92.1 | Very high | 18 Ų | 18 | 19.2 Ų | 19.2 | 7% | 0.071 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.3 | 166.7 | -110 | 0 | 0 | 0 | 111.7 | F74 T85 V360 Y369 T371 G380 Y381 T386 G387 L388 | F74-Y384 HydrophobicContact CE1-CD2 4.42Å; F74-Y384 HydrophobicContact CZ-CD2 4.07Å; T85-Y384 HydrophobicContact CG2-CD2 4.34Å; T85-Y384 HydrophobicContact CG2-CE2 4.16Å; V360-Y384 WeakPolarHBondContact CG1-OH 3.25Å; V360-Y384 HydrophobicContact CG2-CE2 4.03Å; Y369-Y384 AromaticContact CD2-CD1 3.85Å; Y369-Y384 HydrophobicContact CD2-CD1 3.85Å; Y369-Y384 AromaticContact CD2-CG 3.99Å; Y369-Y384 HydrophobicContact CD2-CG 3.99Å; Y369-Y384 HydrophobicContact CG-CD1 4.4Å; T371-Y384 HydrophobicContact CG2-CE1 4.08Å; G380-Y384 WeakPolarHBondContact O-CB 3.26Å; G380-Y384 PolarHBondContact O-N 3.22Å; Y381-Y384 CarbonylContact O-C 3.55Å; Y381-Y384 WeakPolarHBondContact O-CA 3.47Å; Y381-Y384 WeakPolarHBondContact O-CB 3.37Å; Y381-Y384 PolarHBondContact O-N 2.84Å; Y384-T386 VanDerWaalsContact C-N 3.34Å; Y384-T386 PolarHBondContact O-N 3.29Å; Y384-G387 PolarHBondContact O-N 3.45Å; Y384-G387 VanDerWaalsContact O-N 3.16Å; Y384-L388 HydrophobicContact CD1-CD1 4.48Å; Y384-L388 HydrophobicContact CE1-CD1 3.86Å; Y384-L388 HydrophobicContact CE2-CD1 4.29Å; Y384-L388 HydrophobicContact CE2-CD2 4.01Å; Y384-L388 HydrophobicContact CE2-CG 4.24Å; Y384-L388 PolarHBondContact O-N 3.41Å; Y384-L388 VanDerWaalsContact O-N 3.09Å |
| 385 | I | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 176.3 | -65.5 | -52.2 | 0 | 0 | 0 | 111.5 | L343 E347 T371 Y381 G387 L388 C389 | L343-I385 HydrophobicContact CD1-CG2 3.88Å; L343-I385 HydrophobicContact CD2-CG2 4.34Å; L343-I385 HydrophobicContact CG-CG2 3.89Å; E347-I385 HydrophobicContact CB-CG2 3.83Å; E347-I385 HydrophobicContact CG-CD1 4.1Å; E347-I385 HydrophobicContact CG-CG2 3.46Å; E347-I385 VanDerWaalsContact CG-CG2 3.46Å; T371-I385 HydrophobicContact CG2-CD1 4.11Å; Y381-I385 HydrophobicContact CD1-CG1 3.94Å; Y381-I385 HydrophobicContact CE1-CD1 4.17Å; Y381-I385 HydrophobicContact CE1-CG1 3.53Å; Y381-I385 HydrophobicContact CE2-CD1 4.25Å; Y381-I385 HydrophobicContact CE2-CG1 4.29Å; Y381-I385 HydrophobicContact CG-CG1 4.49Å; Y381-I385 WeakPolarHBondContact O-CG1 3.36Å; Y381-I385 PolarHBondContact O-N 3Å; I385-G387 VanDerWaalsContact C-N 3.29Å; I385-G387 PolarHBondContact O-N 3.18Å; I385-L388 HydrophobicContact CD1-CD1 4.25Å; I385-L388 WeakPolarHBondContact O-CB 3.16Å; I385-L388 PolarHBondContact O-N 3.46Å; I385-L388 VanDerWaalsContact O-N 3.09Å; I385-C389 PolarHBondContact O-N 3.09Å; I385-C389 PolarHBondContact O-SG 2.89Å; I385-C389 VanDerWaalsContact O-SG 3.36Å |
| 386 | T | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56 | -42.6 | 175 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | A26 I285 G286 H287 T325 L343 D382 A383 Y384 C389 F390 | A26-T386 HydrophobicContact CB-CG2 4.32Å; I285-T386 HydrophobicContact CG2-CG2 3.93Å; G286-T386 VanDerWaalsContact C-CG2 3.48Å; H287-T386 HydrophobicContact CB-CG2 4.23Å; T325-T386 HydrophobicContact CG2-CG2 3.93Å; L343-T386 WeakPolarHBondContact CD1-OG1 3.41Å; D382-T386 WeakPolarHBondContact O-CB 3.33Å; D382-T386 PolarHBondContact O-N 2.7Å; D382-T386 PolarHBondContact O-OG1 3.49Å; A383-T386 PolarHBondContact O-N 2.77Å; Y384-T386 VanDerWaalsContact C-N 3.34Å; Y384-T386 PolarHBondContact O-N 3.29Å; T386-C389 PolarHBondContact O-N 3.14Å; T386-F390 PolarHBondContact O-N 3.13Å |
| 387 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A383 Y384 I385 F390 I391 | A383-G387 PolarHBondContact O-N 2.77Å; Y384-G387 PolarHBondContact O-N 3.45Å; Y384-G387 VanDerWaalsContact O-N 3.16Å; I385-G387 VanDerWaalsContact C-N 3.29Å; I385-G387 PolarHBondContact O-N 3.18Å; G387-F390 PolarHBondContact O-N 3.44Å; G387-I391 WeakPolarHBondContact O-CD1 3.25Å; G387-I391 VanDerWaalsContact O-CG1 3.28Å; G387-I391 WeakPolarHBondContact O-CG1 3.38Å; G387-I391 PolarHBondContact O-N 2.9Å |
| 388 | L | 98.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 8.1 Ų | 8.1 | 8% | 0.084 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 174.6 | -59 | -173.3 | 0 | 0 | 0 | 112.1 | F74 P358 V360 T371 Y384 I385 F390 I391 S392 | F74-L388 HydrophobicContact CE1-CD2 4.13Å; P358-L388 HydrophobicContact CG-CB 4.41Å; P358-L388 HydrophobicContact CG-CD2 4.06Å; V360-L388 HydrophobicContact CB-CD2 4.09Å; V360-L388 HydrophobicContact CG1-CD2 3.91Å; V360-L388 HydrophobicContact CG2-CD2 4.03Å; T371-L388 HydrophobicContact CG2-CD1 4.27Å; Y384-L388 HydrophobicContact CD1-CD1 4.48Å; Y384-L388 HydrophobicContact CE1-CD1 3.86Å; Y384-L388 HydrophobicContact CE2-CD1 4.29Å; Y384-L388 HydrophobicContact CE2-CD2 4.01Å; Y384-L388 HydrophobicContact CE2-CG 4.24Å; Y384-L388 PolarHBondContact O-N 3.41Å; Y384-L388 VanDerWaalsContact O-N 3.09Å; I385-L388 HydrophobicContact CD1-CD1 4.25Å; I385-L388 WeakPolarHBondContact O-CB 3.16Å; I385-L388 PolarHBondContact O-N 3.46Å; I385-L388 VanDerWaalsContact O-N 3.09Å; L388-F390 PolarHBondContact O-N 3.4Å; L388-I391 PolarHBondContact O-N 2.89Å; L388-S392 PolarHBondContact O-N 3.28Å |
| 389 | C | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.014 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 176 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | L346 L350 I385 T386 S392 M393 | L346-C389 HydrophobicContact CD2-CB 4.24Å; L346-C389 HydrophobicContact CG-CB 4.41Å; L350-C389 HydrophobicContact CD1-CB 3.72Å; L350-C389 WeakPolarHBondContact CD1-O 3.5Å; I385-C389 PolarHBondContact O-N 3.09Å; I385-C389 PolarHBondContact O-SG 2.89Å; I385-C389 VanDerWaalsContact O-SG 3.36Å; T386-C389 PolarHBondContact O-N 3.14Å; C389-S392 PolarHBondContact O-N 2.83Å; C389-M393 HydrophobicContact CB-CE 4.49Å; C389-M393 WeakPolarHBondContact O-CE 3.2Å; C389-M393 WeakPolarHBondContact O-CG 3.16Å; C389-M393 PolarHBondContact O-N 2.63Å; C389-M393 VanDerWaalsContact O-N 3.09Å |
| 390 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.3 | 162.5 | -105.6 | 0 | 0 | 0 | 112.5 | F24 L283 I285 L323 T325 M328 T386 G387 L388 S392 M393 A394 A410 I415 | F24-F390 HydrophobicContact CD1-CE1 4.15Å; F24-F390 HydrophobicContact CD2-CD1 4.33Å; F24-F390 HydrophobicContact CD2-CE1 4.31Å; F24-F390 HydrophobicContact CE1-CD1 4.23Å; F24-F390 AromaticContact CE1-CE1 3.84Å; F24-F390 HydrophobicContact CE1-CE1 3.84Å; F24-F390 AromaticContact CE2-CD1 3.75Å; F24-F390 HydrophobicContact CE2-CD1 3.75Å; F24-F390 HydrophobicContact CE2-CE1 4.03Å; F24-F390 HydrophobicContact CG-CE1 4.37Å; F24-F390 AromaticContact CZ-CD1 3.69Å; F24-F390 HydrophobicContact CZ-CD1 3.69Å; F24-F390 AromaticContact CZ-CE1 3.78Å; F24-F390 HydrophobicContact CZ-CE1 3.78Å; L283-F390 HydrophobicContact CD2-CE1 4.38Å; L283-F390 HydrophobicContact CD2-CE2 4.24Å; L283-F390 HydrophobicContact CD2-CZ 3.83Å; I285-F390 HydrophobicContact CD1-CB 3.86Å; I285-F390 HydrophobicContact CD1-CD1 3.18Å; I285-F390 HydrophobicContact CD1-CD2 3.74Å; I285-F390 HydrophobicContact CD1-CE1 3.52Å; I285-F390 HydrophobicContact CD1-CE2 4.04Å; I285-F390 HydrophobicContact CD1-CG 3.29Å; I285-F390 HydrophobicContact CD1-CZ 3.92Å; I285-F390 HydrophobicContact CG2-CB 4.04Å; I285-F390 HydrophobicContact CG2-CG 4.46Å; L323-F390 HydrophobicContact CD1-CD2 4.05Å; L323-F390 HydrophobicContact CD1-CE2 3.77Å; L323-F390 HydrophobicContact CD2-CD2 3.86Å; L323-F390 HydrophobicContact CD2-CE2 4.42Å; T325-F390 HydrophobicContact CG2-CB 3.96Å; M328-F390 HydrophobicContact SD-CD2 4.23Å; T386-F390 PolarHBondContact O-N 3.13Å; G387-F390 PolarHBondContact O-N 3.44Å; L388-F390 PolarHBondContact O-N 3.4Å; F390-S392 VanDerWaalsContact C-N 3.34Å; F390-S392 PolarHBondContact O-N 3.48Å; F390-M393 PolarHBondContact O-N 3.1Å; F390-A394 HydrophobicContact CD2-CB 4.46Å; F390-A394 HydrophobicContact CE2-CB 4.07Å; F390-A394 HydrophobicContact CZ-CB 4.18Å; F390-A394 VanDerWaalsContact O-CB 3.31Å; F390-A394 WeakPolarHBondContact O-CB 3.41Å; F390-A394 PolarHBondContact O-N 2.91Å; F390-A410 HydrophobicContact CE1-CB 4.15Å; F390-A410 HydrophobicContact CZ-CB 4.09Å; F390-I415 HydrophobicContact CE2-CD1 3.86Å; F390-I415 HydrophobicContact CE2-CG2 4.34Å; F390-I415 HydrophobicContact CZ-CD1 3.74Å |
| 391 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | -177.6 | -64.9 | 158.4 | 0 | 0 | 0 | 110.6 | F24 F74 Y83 P358 G387 L388 M393 A394 N395 | F24-I391 HydrophobicContact CE1-CG1 4.32Å; F24-I391 HydrophobicContact CZ-CD1 3.93Å; F24-I391 HydrophobicContact CZ-CG1 3.7Å; F74-I391 HydrophobicContact CD1-CD1 3.72Å; F74-I391 HydrophobicContact CE1-CD1 3.92Å; Y83-I391 HydrophobicContact CD1-CD1 4.22Å; Y83-I391 HydrophobicContact CD2-CD1 3.61Å; Y83-I391 HydrophobicContact CD2-CG1 4.2Å; Y83-I391 HydrophobicContact CD2-CG2 3.96Å; Y83-I391 HydrophobicContact CE1-CD1 4.38Å; Y83-I391 HydrophobicContact CE2-CB 4.32Å; Y83-I391 HydrophobicContact CE2-CD1 3.8Å; Y83-I391 HydrophobicContact CE2-CG1 3.84Å; Y83-I391 HydrophobicContact CE2-CG2 3.43Å; Y83-I391 VanDerWaalsContact CE2-CG2 3.43Å; Y83-I391 HydrophobicContact CG-CD1 3.82Å; P358-I391 HydrophobicContact CB-CB 4.21Å; P358-I391 HydrophobicContact CB-CG2 3.54Å; P358-I391 HydrophobicContact CG-CB 4.24Å; P358-I391 HydrophobicContact CG-CG2 4.11Å; G387-I391 WeakPolarHBondContact O-CD1 3.25Å; G387-I391 VanDerWaalsContact O-CG1 3.28Å; G387-I391 WeakPolarHBondContact O-CG1 3.38Å; G387-I391 PolarHBondContact O-N 2.9Å; L388-I391 PolarHBondContact O-N 2.89Å; I391-M393 PolarHBondContact O-N 3.45Å; I391-A394 PolarHBondContact O-N 3.47Å; I391-N395 WeakPolarHBondContact CG2-ND2 3.39Å; I391-N395 WeakPolarHBondContact O-CB 3.48Å; I391-N395 PolarHBondContact O-N 3.1Å; I391-N395 PolarHBondContact O-ND2 3Å |
| 392 | S | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.8 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | L350 S356 L388 C389 F390 Y396 | L350-S392 PolarHBondContact O-OG 2.84Å; S356-S392 PolarHBondContact O-OG 3.4Å; L388-S392 PolarHBondContact O-N 3.28Å; C389-S392 PolarHBondContact O-N 2.83Å; F390-S392 VanDerWaalsContact C-N 3.34Å; F390-S392 PolarHBondContact O-N 3.48Å; S392-Y396 PolarHBondContact O-N 3.48Å |
| 393 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.5 | -73.3 | -169.8 | -70.4 | 0 | 0 | 112.8 | T325 M328 A329 F334 I338 L346 L350 C389 F390 I391 N395 Y396 L397 | T325-M393 HydrophobicContact CG2-CE 4.24Å; M328-M393 HydrophobicContact CB-CE 4.19Å; M328-M393 HydrophobicContact CB-SD 4.38Å; M328-M393 HydrophobicContact CE-CB 3.82Å; M328-M393 HydrophobicContact CG-CE 4.22Å; M328-M393 HydrophobicContact CG-SD 4.09Å; M328-M393 HydrophobicContact SD-CB 3.9Å; M328-M393 HydrophobicContact SD-CE 3.9Å; M328-M393 HydrophobicContact SD-SD 4.25Å; A329-M393 HydrophobicContact CB-CE 4.47Å; A329-M393 HydrophobicContact CB-SD 3.82Å; F334-M393 HydrophobicContact CD1-CB 4.32Å; F334-M393 HydrophobicContact CD1-CG 3.91Å; F334-M393 HydrophobicContact CD1-SD 4.13Å; F334-M393 HydrophobicContact CE1-CB 3.52Å; F334-M393 HydrophobicContact CE1-CG 3.59Å; F334-M393 HydrophobicContact CE1-SD 4.24Å; F334-M393 HydrophobicContact CE2-CB 4.49Å; F334-M393 HydrophobicContact CG-SD 4.34Å; F334-M393 HydrophobicContact CZ-CB 3.62Å; F334-M393 HydrophobicContact CZ-CG 4.11Å; F334-M393 WeakPolarHBondContact CZ-O 3.45Å; I338-M393 HydrophobicContact CD1-SD 4.37Å; L346-M393 HydrophobicContact CD2-CE 4.46Å; L350-M393 HydrophobicContact CD1-CE 4.41Å; L350-M393 HydrophobicContact CD1-CG 3.84Å; L350-M393 HydrophobicContact CD1-SD 4.36Å; L350-M393 HydrophobicContact CD2-CG 3.65Å; L350-M393 HydrophobicContact CG-CG 4.44Å; C389-M393 HydrophobicContact CB-CE 4.49Å; C389-M393 WeakPolarHBondContact O-CE 3.2Å; C389-M393 WeakPolarHBondContact O-CG 3.16Å; C389-M393 PolarHBondContact O-N 2.63Å; C389-M393 VanDerWaalsContact O-N 3.09Å; F390-M393 PolarHBondContact O-N 3.1Å; I391-M393 PolarHBondContact O-N 3.45Å; M393-N395 PolarHBondContact O-N 2.92Å; M393-Y396 WeakPolarHBondContact O-CB 3.48Å; M393-Y396 PolarHBondContact O-N 2.98Å; M393-L397 PolarHBondContact O-N 3.39Å |
| 394 | A | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F390 I391 Y396 L397 G398 V408 I415 | F390-A394 HydrophobicContact CD2-CB 4.46Å; F390-A394 HydrophobicContact CE2-CB 4.07Å; F390-A394 HydrophobicContact CZ-CB 4.18Å; F390-A394 VanDerWaalsContact O-CB 3.31Å; F390-A394 WeakPolarHBondContact O-CB 3.41Å; F390-A394 PolarHBondContact O-N 2.91Å; I391-A394 PolarHBondContact O-N 3.47Å; A394-Y396 VanDerWaalsContact C-N 3.33Å; A394-Y396 PolarHBondContact O-N 3.04Å; A394-L397 WeakPolarHBondContact O-CB 3.48Å; A394-L397 PolarHBondContact O-N 2.9Å; A394-G398 PolarHBondContact O-N 2.75Å; A394-V408 HydrophobicContact CB-CB 4.41Å; A394-V408 VanDerWaalsContact O-CB 3.31Å; A394-V408 WeakPolarHBondContact O-CB 3.37Å; A394-V408 WeakPolarHBondContact O-CG2 3.44Å; A394-I415 HydrophobicContact CB-CG2 4.12Å |
| 395 | N | 98.1 | Very high | 97.4 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176 | -71.7 | -14 | 0 | 0 | 0 | 112 | I391 M393 L397 G398 I406 H407 V408 | I391-N395 WeakPolarHBondContact CG2-ND2 3.39Å; I391-N395 WeakPolarHBondContact O-CB 3.48Å; I391-N395 PolarHBondContact O-N 3.1Å; I391-N395 PolarHBondContact O-ND2 3Å; M393-N395 PolarHBondContact O-N 2.92Å; N395-L397 VanDerWaalsContact C-N 3.33Å; N395-L397 PolarHBondContact O-N 2.74Å; N395-G398 WeakPolarHBondContact O-CA 3.38Å; N395-G398 PolarHBondContact O-N 2.72Å; N395-I406 VanDerWaalsContact CB-O 3.3Å; N395-I406 WeakPolarHBondContact CB-O 3.2Å; N395-I406 PolarHBondContact OD1-O 3.33Å; N395-H407 WeakPolarHBondContact OD1-CA 3.09Å; N395-V408 PolarHBondContact OD1-N 3.39Å |
| 396 | Y | 98.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 173.7 | 176 | -108.2 | 0 | 0 | 0 | 112.7 | P333 F334 I337 P354 F355 S392 M393 A394 G398 S399 F400 | P333-Y396 HydrophobicContact CB-CE1 4.45Å; P333-Y396 HydrophobicContact CG-CE1 3.98Å; F334-Y396 HydrophobicContact CD1-CD1 4.13Å; F334-Y396 AromaticContact CE1-CD1 3.58Å; F334-Y396 HydrophobicContact CE1-CD1 3.58Å; F334-Y396 HydrophobicContact CE1-CE1 4.36Å; F334-Y396 HydrophobicContact CE1-CG 4.43Å; F334-Y396 HydrophobicContact CZ-CD1 4.28Å; I337-Y396 HydrophobicContact CD1-CD1 4.34Å; I337-Y396 HydrophobicContact CD1-CE1 3.53Å; I337-Y396 HydrophobicContact CD1-CE2 4.4Å; P354-Y396 HydrophobicContact CB-CD2 4.29Å; P354-Y396 HydrophobicContact CB-CE2 3.75Å; P354-Y396 HydrophobicContact CG-CD2 4.1Å; P354-Y396 HydrophobicContact CG-CE2 3.46Å; P354-Y396 VanDerWaalsContact CG-CE2 3.46Å; F355-Y396 HydrophobicContact CD1-CD2 4.29Å; F355-Y396 AromaticContact CD1-CG 3.95Å; F355-Y396 HydrophobicContact CD1-CG 3.95Å; F355-Y396 AromaticContact CE1-CD1 3.86Å; F355-Y396 HydrophobicContact CE1-CD1 3.86Å; F355-Y396 HydrophobicContact CE1-CD2 4.3Å; F355-Y396 HydrophobicContact CE1-CE1 4.45Å; F355-Y396 AromaticContact CE1-CG 3.75Å; F355-Y396 HydrophobicContact CE1-CG 3.75Å; S392-Y396 PolarHBondContact O-N 3.48Å; M393-Y396 WeakPolarHBondContact O-CB 3.48Å; M393-Y396 PolarHBondContact O-N 2.98Å; A394-Y396 VanDerWaalsContact C-N 3.33Å; A394-Y396 PolarHBondContact O-N 3.04Å; Y396-G398 PolarHBondContact O-N 3.24Å; Y396-S399 VanDerWaalsContact O-CB 3.32Å; Y396-S399 WeakPolarHBondContact O-CB 3.32Å; Y396-S399 PolarHBondContact O-N 3.5Å; Y396-S399 PolarHBondContact O-OG 3.36Å; Y396-F400 HydrophobicContact CD1-CE2 4.09Å; Y396-F400 AromaticContact CE1-CE2 3.63Å; Y396-F400 HydrophobicContact CE1-CE2 3.63Å; Y396-F400 AromaticContact CE1-CZ 3.99Å; Y396-F400 HydrophobicContact CE1-CZ 3.99Å; Y396-F400 HydrophobicContact CE2-CE2 4.38Å; Y396-F400 AromaticContact CZ-CE2 3.79Å; Y396-F400 AromaticContact CZ-CZ 3.93Å |
| 397 | L | 98 | Very high | 97.1 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -28.9 | 172.4 | -61.1 | 174.2 | 0 | 0 | 0 | 112.4 | M328 P333 F334 M393 A394 N395 S399 F400 L414 I415 F418 | M328-L397 HydrophobicContact CE-CD1 3.75Å; P333-L397 HydrophobicContact CG-CD2 3.77Å; F334-L397 HydrophobicContact CE2-CD1 4.34Å; F334-L397 HydrophobicContact CE2-CD2 3.89Å; F334-L397 HydrophobicContact CE2-CG 4.25Å; F334-L397 HydrophobicContact CZ-CD1 4.17Å; F334-L397 HydrophobicContact CZ-CD2 3.71Å; F334-L397 HydrophobicContact CZ-CG 3.76Å; M393-L397 PolarHBondContact O-N 3.39Å; A394-L397 WeakPolarHBondContact O-CB 3.48Å; A394-L397 PolarHBondContact O-N 2.9Å; N395-L397 VanDerWaalsContact C-N 3.33Å; N395-L397 PolarHBondContact O-N 2.74Å; L397-S399 PolarHBondContact O-N 2.8Å; L397-F400 PolarHBondContact O-N 3.32Å; L397-L414 HydrophobicContact CB-CB 4.35Å; L397-L414 HydrophobicContact CB-CD1 4.2Å; L397-I415 HydrophobicContact CD1-CG2 4.09Å; L397-F418 HydrophobicContact CD1-CE2 3.84Å |
| 398 | G | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -24.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A394 N395 Y396 F400 L401 P404 K405 V408 | A394-G398 PolarHBondContact O-N 2.75Å; N395-G398 WeakPolarHBondContact O-CA 3.38Å; N395-G398 PolarHBondContact O-N 2.72Å; Y396-G398 PolarHBondContact O-N 3.24Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-F400 PolarHBondContact O-N 2.95Å; G398-L401 WeakPolarHBondContact O-CB 3.4Å; G398-L401 PolarHBondContact O-N 3Å; G398-P404 WeakPolarHBondContact O-CA 3.2Å; G398-K405 CarbonylContact C-O 3.58Å; G398-K405 VanDerWaalsContact C-O 3.31Å; G398-K405 WeakPolarHBondContact CA-O 3.27Å; G398-K405 PolarHBondContact O-N 3.32Å; G398-V408 VanDerWaalsContact CA-CG2 3.42Å |
| 399 | S | 96.8 | Very high | 97 | Very high | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.3 | 177.1 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | Y396 L397 L401 | Y396-S399 VanDerWaalsContact O-CB 3.32Å; Y396-S399 WeakPolarHBondContact O-CB 3.32Å; Y396-S399 PolarHBondContact O-N 3.5Å; Y396-S399 PolarHBondContact O-OG 3.36Å; L397-S399 PolarHBondContact O-N 2.8Å; S399-L401 VanDerWaalsContact C-N 3.32Å |
| 400 | F | 95.5 | Very high | 96.9 | Very high | 101 Ų | 101 | 47 Ų | 47 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.1 | 176.6 | -64.1 | -95.1 | 0 | 0 | 0 | 113.2 | P333 Y396 L397 G398 | P333-F400 HydrophobicContact CB-CE2 4.49Å; P333-F400 HydrophobicContact CB-CZ 3.96Å; P333-F400 HydrophobicContact CG-CE2 3.96Å; P333-F400 HydrophobicContact CG-CZ 3.93Å; Y396-F400 HydrophobicContact CD1-CE2 4.09Å; Y396-F400 AromaticContact CE1-CE2 3.63Å; Y396-F400 HydrophobicContact CE1-CE2 3.63Å; Y396-F400 AromaticContact CE1-CZ 3.99Å; Y396-F400 HydrophobicContact CE1-CZ 3.99Å; Y396-F400 HydrophobicContact CE2-CE2 4.38Å; Y396-F400 AromaticContact CZ-CE2 3.79Å; Y396-F400 AromaticContact CZ-CZ 3.93Å; L397-F400 PolarHBondContact O-N 3.32Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-F400 PolarHBondContact O-N 2.95Å |
| 401 | L | 96.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -74.9 | 156.6 | 174.1 | -62.7 | 178.6 | 0 | 0 | 0 | 111.4 | G398 S399 P403 P404 K405 L414 | G398-L401 WeakPolarHBondContact O-CB 3.4Å; G398-L401 PolarHBondContact O-N 3Å; S399-L401 VanDerWaalsContact C-N 3.32Å; L401-P403 VanDerWaalsContact C-C 3.49Å; L401-P403 CarbonylContact C-O 3.41Å; L401-P403 WeakPolarHBondContact CB-O 3.4Å; L401-P403 CarbonylContact O-C 3.6Å; L401-P404 VanDerWaalsContact O-CA 3.26Å; L401-P404 WeakPolarHBondContact O-CA 3.27Å; L401-K405 HydrophobicContact CD1-CB 4.22Å; L401-K405 HydrophobicContact CD1-CD 3.78Å; L401-K405 HydrophobicContact CD1-CG 3.88Å; L401-L414 HydrophobicContact CD1-CD1 3.93Å; L401-L414 HydrophobicContact CD2-CD1 4.14Å; L401-L414 HydrophobicContact CD2-CD2 4.12Å; L401-L414 HydrophobicContact CD2-CG 4.47Å; L401-L414 HydrophobicContact CG-CD1 4Å |
| 402 | S | 94.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 55.2 Ų | 55.2 | 88% | 0.881 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -123.2 | 109.1 | 170.4 | -162.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 403 | P | 95.3 | Very high | 96.7 | Very high | 104 Ų | 104 | 63.1 Ų | 63.1 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | S | Bend | cis | -68.1 | 155.2 | -6 | 31.5 | -36.5 | 0 | 0 | 0 | 112.7 | L401 | L401-P403 VanDerWaalsContact C-C 3.49Å; L401-P403 CarbonylContact C-O 3.41Å; L401-P403 WeakPolarHBondContact CB-O 3.4Å; L401-P403 CarbonylContact O-C 3.6Å |
| 404 | P | 95.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 57% | 0.571 | 34% | 0.34 | S | S | * | . | trans | -66.9 | 146.9 | 178.6 | 27.8 | -35.3 | 0 | 0 | 0 | 111.2 | G398 L401 | G398-P404 WeakPolarHBondContact O-CA 3.2Å; L401-P404 VanDerWaalsContact O-CA 3.26Å; L401-P404 WeakPolarHBondContact O-CA 3.27Å | ||
| 405 | K | 95.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | trans | -114.1 | 131 | 176.9 | -65.5 | -170.9 | 178.6 | -175.7 | 0 | 110.9 | G398 L401 | G398-K405 CarbonylContact C-O 3.58Å; G398-K405 VanDerWaalsContact C-O 3.31Å; G398-K405 WeakPolarHBondContact CA-O 3.27Å; G398-K405 PolarHBondContact O-N 3.32Å; L401-K405 HydrophobicContact CD1-CB 4.22Å; L401-K405 HydrophobicContact CD1-CD 3.78Å; L401-K405 HydrophobicContact CD1-CG 3.88Å | ||
| 406 | I | 93.9 | Very high | 96.5 | Very high | 161 Ų | 161 | 68.1 Ų | 68.1 | 83% | 0.826 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.7 | -32.7 | 176.5 | -56.5 | 172 | 0 | 0 | 0 | 110.9 | N395 | N395-I406 VanDerWaalsContact CB-O 3.3Å; N395-I406 WeakPolarHBondContact CB-O 3.2Å; N395-I406 PolarHBondContact OD1-O 3.33Å |
| 407 | H | 96.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | trans | -111.4 | 133.5 | 175.9 | 177.8 | -100.6 | 0 | 0 | 0 | 111.1 | Y76 Y83 N395 | Y76-H407 AromaticContact CD1-CE1 3.49Å; Y76-H407 VanDerWaalsContact CD1-CE1 3.49Å; Y76-H407 WeakPolarHBondContact CD1-CE1 3.49Å; Y76-H407 AromaticContact CD1-NE2 3.45Å; Y76-H407 WeakPolarHBondContact CD1-NE2 3.41Å; Y76-H407 AromaticContact CD2-CD2 3.71Å; Y76-H407 AromaticContact CD2-NE2 3.34Å; Y76-H407 VanDerWaalsContact CD2-NE2 3.34Å; Y76-H407 WeakPolarHBondContact CD2-NE2 3.21Å; Y76-H407 AromaticContact CE1-CD2 3.7Å; Y76-H407 AromaticContact CE1-CE1 3.64Å; Y76-H407 AromaticContact CE1-CG 3.81Å; Y76-H407 AromaticContact CE1-ND1 3.83Å; Y76-H407 AromaticContact CE1-NE2 3.58Å; Y76-H407 AromaticContact CE2-CD2 3.34Å; Y76-H407 WeakPolarHBondContact CE2-CD2 3.41Å; Y76-H407 AromaticContact CE2-NE2 3.5Å; Y76-H407 WeakPolarHBondContact CE2-NE2 3.27Å; Y76-H407 AromaticContact CG-CE1 3.77Å; Y76-H407 AromaticContact CG-NE2 3.31Å; Y76-H407 VanDerWaalsContact CG-NE2 3.31Å; Y76-H407 AromaticContact CZ-CD2 3.31Å; Y76-H407 AromaticContact CZ-CG 3.68Å; Y76-H407 AromaticContact CZ-NE2 3.6Å; Y83-H407 AromaticContact CE2-NE2 3.95Å; Y83-H407 AromaticContact CZ-NE2 3.62Å; Y83-H407 PolarHBondContact OH-NE2 3.29Å; N395-H407 WeakPolarHBondContact OD1-CA 3.09Å | ||
| 408 | V | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | trans | -120.8 | 121.6 | 170.1 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | A394 N395 G398 S412 L414 | A394-V408 HydrophobicContact CB-CB 4.41Å; A394-V408 VanDerWaalsContact O-CB 3.31Å; A394-V408 WeakPolarHBondContact O-CB 3.37Å; A394-V408 WeakPolarHBondContact O-CG2 3.44Å; N395-V408 PolarHBondContact OD1-N 3.39Å; G398-V408 VanDerWaalsContact CA-CG2 3.42Å; V408-S412 VanDerWaalsContact CG1-CB 3.47Å; V408-L414 HydrophobicContact CG1-CD1 4.27Å; V408-L414 HydrophobicContact CG2-CD1 4.15Å | ||
| 409 | S | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 69.5 Ų | 69.5 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | trans | -66.2 | 145.5 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 112 | R411 S412 | S409-R411 PolarHBondContact O-N 3.12Å; S409-R411 PolarHBondContact OG-N 2.74Å; S409-S412 WeakPolarHBondContact O-CB 3.18Å; S409-S412 PolarHBondContact O-N 3.37Å | ||
| 410 | A | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 1.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F24 L283 F390 | F24-A410 HydrophobicContact CB-CB 4.04Å; F24-A410 HydrophobicContact CD1-CB 3.51Å; F24-A410 HydrophobicContact CE1-CB 4.29Å; F24-A410 HydrophobicContact CG-CB 4.05Å; L283-A410 HydrophobicContact CD2-CB 3.99Å; F390-A410 HydrophobicContact CE1-CB 4.15Å; F390-A410 HydrophobicContact CZ-CB 4.09Å |
| 411 | R | 96.3 | Very high | 96.6 | Very high | 141 Ų | 141 | 63.4 Ų | 63.4 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 11.5 | 170.2 | -62.5 | -178.6 | -72 | -80.1 | -1.3 | 112.9 | D23 S409 | D23-R411 IonicContact OD1-CZ 2.67Å; D23-R411 VanDerWaalsContact OD1-CZ 3.26Å; D23-R411 IonicContact OD1-NH1 2.66Å; D23-R411 PolarHBondContact OD1-NH1 2.73Å; D23-R411 IonicContact OD1-NH2 2.69Å; D23-R411 PolarHBondContact OD1-NH2 2.86Å; S409-R411 PolarHBondContact O-N 3.12Å; S409-R411 PolarHBondContact OG-N 2.74Å |
| 412 | S | 97.5 | Very high | 96.7 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | trans | -75.2 | 141.7 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | V408 S409 L414 I415 | V408-S412 VanDerWaalsContact CG1-CB 3.47Å; S409-S412 WeakPolarHBondContact O-CB 3.18Å; S409-S412 PolarHBondContact O-N 3.37Å; S412-L414 PolarHBondContact O-N 3.39Å; S412-L414 VanDerWaalsContact O-N 3.17Å; S412-L414 PolarHBondContact OG-N 2.94Å; S412-I415 WeakPolarHBondContact O-CG1 3.43Å; S412-I415 PolarHBondContact O-N 2.75Å | ||
| 413 | K | 96.8 | Very high | 96.8 | Very high | 170 Ų | 170 | 56 Ų | 56 | 74% | 0.739 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.6 | 171.3 | -59.6 | -166.4 | 175.2 | -166.3 | 0 | 113.6 | I415 E416 | K413-I415 PolarHBondContact O-N 3Å; K413-E416 WeakPolarHBondContact O-CB 3.35Å; K413-E416 PolarHBondContact O-N 2.95Å |
| 414 | L | 97.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.3 | 176 | -71.2 | 177.6 | 0 | 0 | 0 | 113.4 | L397 L401 V408 S412 | L397-L414 HydrophobicContact CB-CB 4.35Å; L397-L414 HydrophobicContact CB-CD1 4.2Å; L401-L414 HydrophobicContact CD1-CD1 3.93Å; L401-L414 HydrophobicContact CD2-CD1 4.14Å; L401-L414 HydrophobicContact CD2-CD2 4.12Å; L401-L414 HydrophobicContact CD2-CG 4.47Å; L401-L414 HydrophobicContact CG-CD1 4Å; V408-L414 HydrophobicContact CG1-CD1 4.27Å; V408-L414 HydrophobicContact CG2-CD1 4.15Å; S412-L414 PolarHBondContact O-N 3.39Å; S412-L414 VanDerWaalsContact O-N 3.17Å; S412-L414 PolarHBondContact OG-N 2.94Å |
| 415 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -7.9 | -179 | 62.5 | 165.3 | 0 | 0 | 0 | 113.5 | L283 L323 M328 F390 A394 L397 S412 K413 P417 F418 F419 | L283-I415 HydrophobicContact CD2-CD1 4.11Å; L323-I415 HydrophobicContact CD1-CB 4.41Å; M328-I415 HydrophobicContact CE-CG2 4.22Å; F390-I415 HydrophobicContact CE2-CD1 3.86Å; F390-I415 HydrophobicContact CE2-CG2 4.34Å; F390-I415 HydrophobicContact CZ-CD1 3.74Å; A394-I415 HydrophobicContact CB-CG2 4.12Å; L397-I415 HydrophobicContact CD1-CG2 4.09Å; S412-I415 WeakPolarHBondContact O-CG1 3.43Å; S412-I415 PolarHBondContact O-N 2.75Å; K413-I415 PolarHBondContact O-N 3Å; I415-P417 VanDerWaalsContact C-CD 3.41Å; I415-P417 VanDerWaalsContact C-N 3.34Å; I415-F418 HydrophobicContact CB-CD2 4.42Å; I415-F418 WeakPolarHBondContact O-CD2 3.14Å; I415-F418 PolarHBondContact O-N 2.9Å; I415-F419 HydrophobicContact CB-CE1 4.47Å; I415-F419 HydrophobicContact CD1-CE1 3.67Å; I415-F419 HydrophobicContact CD1-CZ 3.78Å; I415-F419 HydrophobicContact CG1-CE1 3.83Å; I415-F419 HydrophobicContact CG1-CZ 3.71Å |
| 416 | E | 96.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -55.4 | -37 | -179.1 | -167.9 | 166.6 | -157.8 | 0 | 0 | 113.9 | K413 F418 F419 | K413-E416 WeakPolarHBondContact O-CB 3.35Å; K413-E416 PolarHBondContact O-N 2.95Å; E416-F418 PolarHBondContact O-N 3.44Å; E416-F419 HydrophobicContact CB-CD2 4.21Å; E416-F419 HydrophobicContact CB-CE2 4.08Å; E416-F419 HydrophobicContact CG-CD2 4.06Å; E416-F419 HydrophobicContact CG-CE2 4.18Å; E416-F419 PolarHBondContact O-N 2.72Å; E416-F419 VanDerWaalsContact O-N 3.12Å |
| 417 | P | 96.3 | Very high | 95 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59 | -28 | 173.7 | -27.2 | 37.3 | 0 | 0 | 0 | 114.7 | I415 K421 F633 | I415-P417 VanDerWaalsContact C-CD 3.41Å; I415-P417 VanDerWaalsContact C-N 3.34Å; P417-K421 WeakPolarHBondContact O-CE 3.44Å; P417-K421 PolarHBondContact O-NZ 3.28Å; P417-F633 HydrophobicContact CB-CE1 4.38Å; P417-F633 HydrophobicContact CB-CZ 4.39Å; P417-F633 HydrophobicContact CG-CD2 3.97Å; P417-F633 HydrophobicContact CG-CE1 4.31Å; P417-F633 HydrophobicContact CG-CE2 3.7Å; P417-F633 HydrophobicContact CG-CG 4.39Å; P417-F633 HydrophobicContact CG-CZ 3.88Å |
| 418 | F | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -86.1 | -7.9 | -179.8 | -51.5 | -75 | 0 | 0 | 0 | 113.5 | L323 M328 T331 F334 L397 I415 E416 | L323-F418 HydrophobicContact CD1-CB 3.86Å; L323-F418 HydrophobicContact CG-CB 4.03Å; M328-F418 HydrophobicContact CB-CD1 4.18Å; M328-F418 HydrophobicContact CB-CG 4.5Å; M328-F418 HydrophobicContact CE-CD2 4.1Å; M328-F418 HydrophobicContact CE-CE2 4.05Å; M328-F418 HydrophobicContact CG-CD1 3.97Å; M328-F418 HydrophobicContact CG-CD2 4.28Å; M328-F418 HydrophobicContact CG-CE1 4.05Å; M328-F418 HydrophobicContact CG-CE2 4.37Å; M328-F418 HydrophobicContact CG-CG 4.1Å; M328-F418 HydrophobicContact CG-CZ 4.26Å; T331-F418 HydrophobicContact CG2-CE1 3.84Å; F334-F418 HydrophobicContact CE2-CZ 4.17Å; L397-F418 HydrophobicContact CD1-CE2 3.84Å; I415-F418 HydrophobicContact CB-CD2 4.42Å; I415-F418 WeakPolarHBondContact O-CD2 3.14Å; I415-F418 PolarHBondContact O-N 2.9Å; E416-F418 PolarHBondContact O-N 3.44Å |
| 419 | F | 98 | Very high | 93.6 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 145.9 | -180 | -65.3 | -24 | 0 | 0 | 0 | 112.2 | L283 R321 L322 L323 I415 E416 K421 | L283-F419 HydrophobicContact CD1-CD1 3.97Å; L283-F419 HydrophobicContact CD1-CE1 3.78Å; L283-F419 HydrophobicContact CD2-CE1 4.19Å; R321-F419 HydrophobicContact CG-CB 4.31Å; R321-F419 HydrophobicContact CG-CD1 3.82Å; R321-F419 HydrophobicContact CG-CD2 3.99Å; R321-F419 HydrophobicContact CG-CE1 4.11Å; R321-F419 HydrophobicContact CG-CE2 4.28Å; R321-F419 HydrophobicContact CG-CG 3.78Å; R321-F419 HydrophobicContact CG-CZ 4.34Å; L322-F419 CarbonylContact O-C 3.55Å; L322-F419 VanDerWaalsContact O-CA 3.29Å; L322-F419 WeakPolarHBondContact O-CA 3.42Å; L323-F419 HydrophobicContact CD1-CD1 4.31Å; L323-F419 HydrophobicContact CD1-CE1 4.31Å; I415-F419 HydrophobicContact CB-CE1 4.47Å; I415-F419 HydrophobicContact CD1-CE1 3.67Å; I415-F419 HydrophobicContact CD1-CZ 3.78Å; I415-F419 HydrophobicContact CG1-CE1 3.83Å; I415-F419 HydrophobicContact CG1-CZ 3.71Å; E416-F419 HydrophobicContact CB-CD2 4.21Å; E416-F419 HydrophobicContact CB-CE2 4.08Å; E416-F419 HydrophobicContact CG-CD2 4.06Å; E416-F419 HydrophobicContact CG-CE2 4.18Å; E416-F419 PolarHBondContact O-N 2.72Å; E416-F419 VanDerWaalsContact O-N 3.12Å; F419-K421 PolarHBondContact O-N 2.98Å; F419-K421 VanDerWaalsContact O-N 3.13Å; F419-K421 PolarHBondContact O-NZ 3.34Å |
| 420 | N | 98.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34.5 | 169.1 | -70.3 | -27.6 | 0 | 0 | 0 | 113.8 | P320 R321 L322 L435 E436 | P320-N420 PolarHBondContact O-ND2 3.24Å; R321-N420 WeakPolarHBondContact CA-OD1 3.4Å; L322-N420 PolarHBondContact N-OD1 3.33Å; L322-N420 PolarHBondContact O-N 3.06Å; N420-L435 HydrophobicContact CB-CB 4.22Å; N420-L435 WeakPolarHBondContact O-CB 3.33Å; N420-L435 WeakPolarHBondContact O-CG 3.47Å; N420-L435 PolarHBondContact O-N 3.29Å; N420-E436 HydrophobicContact CB-CG 3.73Å; N420-E436 PolarHBondContact ND2-OE1 2.95Å |
| 421 | K | 97.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.2 | 173.7 | -66.2 | 167.9 | -160.9 | 74 | 0 | 109.3 | L327 P417 F419 Y432 L433 | L327-K421 HydrophobicContact CD2-CB 3.46Å; L327-K421 VanDerWaalsContact CD2-CB 3.46Å; L327-K421 WeakPolarHBondContact CD2-O 3.4Å; P417-K421 WeakPolarHBondContact O-CE 3.44Å; P417-K421 PolarHBondContact O-NZ 3.28Å; F419-K421 PolarHBondContact O-N 2.98Å; F419-K421 VanDerWaalsContact O-N 3.13Å; F419-K421 PolarHBondContact O-NZ 3.34Å; K421-Y432 HydrophobicContact CB-CD2 4.04Å; K421-Y432 HydrophobicContact CB-CG 4.08Å; K421-Y432 HydrophobicContact CD-CD1 4.49Å; K421-Y432 HydrophobicContact CD-CD2 4.01Å; K421-Y432 HydrophobicContact CD-CE1 4.36Å; K421-Y432 HydrophobicContact CD-CE2 3.86Å; K421-Y432 HydrophobicContact CD-CG 4.34Å; K421-Y432 HydrophobicContact CG-CD2 3.81Å; K421-Y432 HydrophobicContact CG-CE2 4.05Å; K421-Y432 HydrophobicContact CG-CG 4.28Å; K421-L433 VanDerWaalsContact CA-O 3.31Å; K421-L433 WeakPolarHBondContact CA-O 3.42Å |
| 422 | L | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140.3 | -178.8 | -63.5 | 179.4 | 0 | 0 | 0 | 110.4 | M289 L290 V293 L322 L424 Y432 L433 L435 | M289-L422 HydrophobicContact CE-CD2 4.02Å; M289-L422 HydrophobicContact CG-CD2 3.64Å; M289-L422 HydrophobicContact SD-CD2 4.2Å; L290-L422 HydrophobicContact CD1-CB 4.42Å; L290-L422 HydrophobicContact CD1-CD1 3.81Å; V293-L422 HydrophobicContact CB-CD1 4.32Å; V293-L422 HydrophobicContact CG1-CD1 4.3Å; V293-L422 HydrophobicContact CG2-CD1 4.31Å; V293-L422 HydrophobicContact CG2-CD2 4.43Å; L322-L422 HydrophobicContact CB-CD2 4.48Å; L322-L422 HydrophobicContact CD1-CD2 4.33Å; L422-L424 PolarHBondContact O-N 2.66Å; L422-Y432 CarbonylContact O-C 3.54Å; L422-Y432 WeakPolarHBondContact O-CA 3.46Å; L422-Y432 WeakPolarHBondContact O-CB 3.22Å; L422-L433 HydrophobicContact CB-CB 4.42Å; L422-L433 PolarHBondContact N-O 3.45Å; L422-L433 PolarHBondContact O-N 2.89Å; L422-L435 HydrophobicContact CD1-CD1 4.14Å; L422-L435 HydrophobicContact CD1-CD2 4.23Å; L422-L435 HydrophobicContact CG-CD1 4.16Å |
| 423 | F | 96.5 | Very high | 92.7 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129 | -177.9 | -176.5 | -97.8 | 0 | 0 | 0 | 111.6 | N288 D324 K326 L327 M425 | N288-F423 VanDerWaalsContact OD1-CD1 3.25Å; N288-F423 WeakPolarHBondContact OD1-CD1 3.36Å; D324-F423 VanDerWaalsContact OD2-CB 3.25Å; D324-F423 WeakPolarHBondContact OD2-CB 3.33Å; D324-F423 PolarHBondContact OD2-N 3.19Å; D324-F423 VanDerWaalsContact OD2-N 3.09Å; K326-F423 HydrophobicContact CB-CB 4.44Å; K326-F423 HydrophobicContact CB-CD2 4.41Å; K326-F423 HydrophobicContact CB-CG 4.29Å; K326-F423 HydrophobicContact CD-CD1 3.76Å; K326-F423 HydrophobicContact CD-CD2 4.5Å; K326-F423 HydrophobicContact CD-CE1 3.74Å; K326-F423 HydrophobicContact CD-CG 4.13Å; K326-F423 HydrophobicContact CD-CZ 4.13Å; K326-F423 VanDerWaalsContact CE-CE1 3.49Å; K326-F423 HydrophobicContact CG-CD1 4.2Å; K326-F423 HydrophobicContact CG-CD2 4.05Å; K326-F423 HydrophobicContact CG-CE1 4.24Å; K326-F423 HydrophobicContact CG-CE2 4.11Å; K326-F423 HydrophobicContact CG-CG 4.08Å; K326-F423 HydrophobicContact CG-CZ 4.2Å; L327-F423 HydrophobicContact CB-CB 4.17Å; L327-F423 HydrophobicContact CB-CD2 4.19Å; L327-F423 HydrophobicContact CD1-CD2 4.39Å; F423-M425 HydrophobicContact CD1-CB 4.29Å; F423-M425 HydrophobicContact CE1-CB 4.09Å; F423-M425 PolarHBondContact O-N 2.91Å |
| 424 | L | 92.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -101.8 | 83.2 | -176.4 | -163.4 | 64.7 | 0 | 0 | 0 | 111.4 | R53 L290 L422 R426 V427 I430 P431 | R53-L424 HydrophobicContact CB-CD1 4.43Å; R53-L424 HydrophobicContact CG-CD1 3.92Å; L290-L424 HydrophobicContact CD2-CD1 4.1Å; L422-L424 PolarHBondContact O-N 2.66Å; L424-R426 PolarHBondContact O-N 3.05Å; L424-V427 HydrophobicContact CD2-CB 4.06Å; L424-V427 HydrophobicContact CD2-CG1 4.45Å; L424-V427 HydrophobicContact CD2-CG2 3.71Å; L424-V427 HydrophobicContact CG-CB 4.23Å; L424-V427 HydrophobicContact CG-CG2 3.73Å; L424-V427 PolarHBondContact O-N 2.98Å; L424-I430 HydrophobicContact CD2-CB 4.07Å; L424-I430 HydrophobicContact CD2-CG2 3.77Å; L424-P431 PolarHBondContact N-O 3.37Å | ||
| 425 | M | 85.3 | Confident | 92.6 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 35% | 0.345 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 127.5 | -172.1 | -178.7 | 169.1 | 73 | 0 | 0 | 113.7 | T44 R53 F423 V427 | T44-M425 HydrophobicContact CG2-CE 4.08Å; R53-M425 PolarHBondContact NH1-O 2.85Å; F423-M425 HydrophobicContact CD1-CB 4.29Å; F423-M425 HydrophobicContact CE1-CB 4.09Å; F423-M425 PolarHBondContact O-N 2.91Å; M425-V427 PolarHBondContact O-N 2.96Å; M425-V427 VanDerWaalsContact O-N 3.12Å |
| 426 | R | 82.7 | Confident | 92.3 | Very high | 139 Ų | 139 | 40.9 Ų | 40.9 | 53% | 0.525 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 7 | 172.7 | -62.6 | 163.5 | 178.7 | -163.8 | 0.5 | 116.9 | V40 T44 G46 L424 | V40-R426 VanDerWaalsContact CG1-NH1 3.27Å; T44-R426 WeakPolarHBondContact OG1-CD 3.41Å; T44-R426 PolarHBondContact OG1-NH1 3.25Å; G46-R426 WeakPolarHBondContact CA-O 3.23Å; L424-R426 PolarHBondContact O-N 3.05Å |
| 427 | V | 83.7 | Confident | 91.8 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | trans | -73.8 | 135.7 | 162.8 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | R53 L424 M425 I430 | R53-V427 VanDerWaalsContact NH2-CG2 3.3Å; L424-V427 HydrophobicContact CD2-CB 4.06Å; L424-V427 HydrophobicContact CD2-CG1 4.45Å; L424-V427 HydrophobicContact CD2-CG2 3.71Å; L424-V427 HydrophobicContact CG-CB 4.23Å; L424-V427 HydrophobicContact CG-CG2 3.73Å; L424-V427 PolarHBondContact O-N 2.98Å; M425-V427 PolarHBondContact O-N 2.96Å; M425-V427 VanDerWaalsContact O-N 3.12Å; V427-I430 HydrophobicContact CG1-CB 3.77Å; V427-I430 HydrophobicContact CG1-CD1 4.43Å; V427-I430 HydrophobicContact CG1-CG1 4.1Å | ||
| 428 | M | 80.6 | Confident | 91.5 | Very high | 87 Ų | 87 | 40 Ų | 40 | 43% | 0.429 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.6 | -32.6 | -167.3 | -61.1 | -169.8 | -56 | 0 | 0 | 112.9 | G46 F47 Q472 | G46-M428 PolarHBondContact O-N 3.05Å; F47-M428 HydrophobicContact CD1-CE 3.93Å; F47-M428 HydrophobicContact CD2-CE 3.8Å; F47-M428 HydrophobicContact CE1-CE 3.46Å; F47-M428 VanDerWaalsContact CE1-CE 3.46Å; F47-M428 HydrophobicContact CE2-CE 3.33Å; F47-M428 HydrophobicContact CG-CE 4.11Å; F47-M428 HydrophobicContact CZ-CE 3.15Å; M428-Q472 HydrophobicContact SD-CB 4.5Å; M428-Q472 PolarHBondContact SD-OE1 2.89Å |
| 429 | D | 83.9 | Confident | 91.2 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -123.8 | -0.3 | -168.1 | 56.5 | -4.9 | 0 | 0 | 0 | 113.8 | P442 R444 | D429-P442 HydrophobicContact CB-CB 3.71Å; D429-P442 HydrophobicContact CB-CG 3.94Å; D429-P442 WeakPolarHBondContact OD2-CB 3.48Å; D429-P442 WeakPolarHBondContact OD2-CG 3.43Å; D429-R444 IonicContact OD1-CZ 3.27Å; D429-R444 IonicContact OD1-NE 2.79Å; D429-R444 IonicContact OD1-NH2 2.62Å; D429-R444 PolarHBondContact OD1-NH2 2.99Å; D429-R444 WeakPolarHBondContact OD2-CG 3.29Å; D429-R444 IonicContact OD2-CZ 3.88Å; D429-R444 IonicContact OD2-NE 2.72Å; D429-R444 PolarHBondContact OD2-NE 2.92Å; D429-R444 IonicContact OD2-NH2 2.7Å; D429-R444 PolarHBondContact OD2-NH2 3.07Å |
| 430 | I | 89.3 | Confident | 90.8 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | trans | -125.9 | 100 | 175.1 | -52.6 | 177.8 | 0 | 0 | 0 | 108.3 | P50 L424 V427 Y432 P442 | P50-I430 HydrophobicContact CG-CD1 3.99Å; P50-I430 HydrophobicContact CG-CG2 4.39Å; L424-I430 HydrophobicContact CD2-CB 4.07Å; L424-I430 HydrophobicContact CD2-CG2 3.77Å; V427-I430 HydrophobicContact CG1-CB 3.77Å; V427-I430 HydrophobicContact CG1-CD1 4.43Å; V427-I430 HydrophobicContact CG1-CG1 4.1Å; I430-Y432 VanDerWaalsContact C-N 3.34Å; I430-Y432 WeakPolarHBondContact CG2-O 3.44Å; I430-Y432 PolarHBondContact O-N 3.41Å; I430-P442 HydrophobicContact CD1-CG 4.15Å; I430-P442 HydrophobicContact CG1-CG 3.76Å | ||
| 431 | P | 89.3 | Confident | 90.2 | Very high | 52 Ų | 52 | 52 Ų | 52 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | trans | -72.5 | -22.9 | -175.3 | 25.3 | -33.5 | 0 | 0 | 0 | 114.4 | L327 L424 L440 | L327-P431 HydrophobicContact CD1-CB 4.47Å; L424-P431 PolarHBondContact N-O 3.37Å; P431-L440 HydrophobicContact CG-CD1 4.2Å | ||
| 432 | Y | 94.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 154.7 | -175.5 | 57.8 | -101.1 | 0 | 0 | 0 | 113.8 | L327 K421 L422 I430 N434 L440 | L327-Y432 HydrophobicContact CD1-CD1 4.08Å; L327-Y432 HydrophobicContact CD2-CD1 4.23Å; L327-Y432 HydrophobicContact CD2-CG 4.13Å; K421-Y432 HydrophobicContact CB-CD2 4.04Å; K421-Y432 HydrophobicContact CB-CG 4.08Å; K421-Y432 HydrophobicContact CD-CD1 4.49Å; K421-Y432 HydrophobicContact CD-CD2 4.01Å; K421-Y432 HydrophobicContact CD-CE1 4.36Å; K421-Y432 HydrophobicContact CD-CE2 3.86Å; K421-Y432 HydrophobicContact CD-CG 4.34Å; K421-Y432 HydrophobicContact CG-CD2 3.81Å; K421-Y432 HydrophobicContact CG-CE2 4.05Å; K421-Y432 HydrophobicContact CG-CG 4.28Å; L422-Y432 CarbonylContact O-C 3.54Å; L422-Y432 WeakPolarHBondContact O-CA 3.46Å; L422-Y432 WeakPolarHBondContact O-CB 3.22Å; I430-Y432 VanDerWaalsContact C-N 3.34Å; I430-Y432 WeakPolarHBondContact CG2-O 3.44Å; I430-Y432 PolarHBondContact O-N 3.41Å; Y432-N434 HydrophobicContact CD2-CB 4.16Å; Y432-N434 HydrophobicContact CE2-CB 4.03Å; Y432-L440 HydrophobicContact CE1-CD1 3.95Å; Y432-L440 HydrophobicContact CE2-CD1 4.33Å; Y432-L440 HydrophobicContact CE2-CG 4.4Å |
| 433 | L | 95.7 | Very high | 89 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.8 | 161.3 | 178.3 | 71.4 | 0 | 0 | 0 | 108.7 | P50 L290 L308 F311 K421 L422 L435 | P50-L433 HydrophobicContact CB-CD1 3.94Å; L290-L433 HydrophobicContact CD1-CD2 3.9Å; L308-L433 HydrophobicContact CD1-CD1 3.87Å; L308-L433 HydrophobicContact CD1-CD2 4.21Å; L308-L433 HydrophobicContact CD2-CD1 3.75Å; L308-L433 HydrophobicContact CG-CD1 4.31Å; F311-L433 HydrophobicContact CE1-CD2 4.27Å; K421-L433 VanDerWaalsContact CA-O 3.31Å; K421-L433 WeakPolarHBondContact CA-O 3.42Å; L422-L433 HydrophobicContact CB-CB 4.42Å; L422-L433 PolarHBondContact N-O 3.45Å; L422-L433 PolarHBondContact O-N 2.89Å; L433-L435 HydrophobicContact CD2-CD2 3.97Å; L433-L435 HydrophobicContact CG-CD2 4.27Å |
| 434 | N | 96.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.2 | -179.4 | -174.4 | 16.1 | 0 | 0 | 0 | 110.5 | K312 Y432 G437 P438 D439 | K312-N434 WeakPolarHBondContact CD-O 3.31Å; K312-N434 WeakPolarHBondContact CE-O 3.34Å; K312-N434 PolarHBondContact NZ-O 2.72Å; Y432-N434 HydrophobicContact CD2-CB 4.16Å; Y432-N434 HydrophobicContact CE2-CB 4.03Å; N434-G437 VanDerWaalsContact O-O 3.13Å; N434-P438 PolarHBondContact ND2-O 3.32Å; N434-D439 PolarHBondContact N-OD1 3.2Å |
| 435 | L | 95.9 | Very high | 88.6 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -81.3 | -27.1 | -175.9 | -55.5 | 175 | 0 | 0 | 0 | 113.2 | K312 T315 T316 L322 N420 L422 L433 | K312-L435 HydrophobicContact CG-CD2 4.03Å; T315-L435 HydrophobicContact CG2-CD1 3.71Å; T315-L435 HydrophobicContact CG2-CD2 4.37Å; T316-L435 HydrophobicContact CG2-CB 4.27Å; L322-L435 HydrophobicContact CD1-CD1 3.59Å; N420-L435 HydrophobicContact CB-CB 4.22Å; N420-L435 WeakPolarHBondContact O-CB 3.33Å; N420-L435 WeakPolarHBondContact O-CG 3.47Å; N420-L435 PolarHBondContact O-N 3.29Å; L422-L435 HydrophobicContact CD1-CD1 4.14Å; L422-L435 HydrophobicContact CD1-CD2 4.23Å; L422-L435 HydrophobicContact CG-CD1 4.16Å; L433-L435 HydrophobicContact CD2-CD2 3.97Å; L433-L435 HydrophobicContact CG-CD2 4.27Å |
| 436 | E | 90.3 | Very high | 88.8 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 61% | 0.607 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -93.6 | 1.9 | -176.4 | -73.8 | 177.2 | 159.2 | 0 | 0 | 114.1 | N420 | N420-E436 HydrophobicContact CB-CG 3.73Å; N420-E436 PolarHBondContact ND2-OE1 2.95Å |
| 437 | G | 86.7 | Confident | 89.2 | Confident | 25 Ų | 25 | 56 Ų | 56 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -171.3 | -170 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K312 N434 | K312-G437 PolarHBondContact NZ-O 2.84Å; N434-G437 VanDerWaalsContact O-O 3.13Å |
| 438 | P | 89.7 | Confident | 89.7 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 146 | 175 | 27.9 | -34.5 | 0 | 0 | 0 | 110.5 | N434 | N434-P438 PolarHBondContact ND2-O 3.32Š|
| 439 | D | 91.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 159 | 169.8 | -56.6 | -60.7 | 0 | 0 | 0 | 110.7 | P50 K312 N434 Q441 | P50-D439 HydrophobicContact CB-CB 4.37Å; P50-D439 HydrophobicContact CG-CB 3.71Å; K312-D439 IonicContact NZ-OD1 2.67Å; K312-D439 PolarHBondContact NZ-OD1 3.37Å; K312-D439 IonicContact NZ-OD2 3.64Å; K312-D439 PolarHBondContact NZ-OD2 3.5Å; N434-D439 PolarHBondContact N-OD1 3.2Å; D439-Q441 PolarHBondContact O-N 3.38Å |
| 440 | L | 88.8 | Confident | 90.9 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 135.5 | 175.4 | -64.6 | 172.3 | 0 | 0 | 0 | 110.6 | P431 Y432 P442 | P431-L440 HydrophobicContact CG-CD1 4.2Å; Y432-L440 HydrophobicContact CE1-CD1 3.95Å; Y432-L440 HydrophobicContact CE2-CD1 4.33Å; Y432-L440 HydrophobicContact CE2-CG 4.4Å; L440-P442 WeakPolarHBondContact O-CD 3.05Å |
| 441 | Q | 86.1 | Confident | 91.2 | Very high | 185 Ų | 185 | 52.7 Ų | 52.7 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | trans | -108.2 | 89.1 | 175.7 | -66.1 | -168.4 | 0.5 | 0 | 0 | 109.7 | D439 | D439-Q441 PolarHBondContact O-N 3.38Š| ||
| 442 | P | 85.6 | Confident | 91.4 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | trans | -68.2 | 145.9 | -177.8 | 27.6 | -35.4 | 0 | 0 | 0 | 112 | D429 I430 L440 R444 | D429-P442 HydrophobicContact CB-CB 3.71Å; D429-P442 HydrophobicContact CB-CG 3.94Å; D429-P442 WeakPolarHBondContact OD2-CB 3.48Å; D429-P442 WeakPolarHBondContact OD2-CG 3.43Å; I430-P442 HydrophobicContact CD1-CG 4.15Å; I430-P442 HydrophobicContact CG1-CG 3.76Å; L440-P442 WeakPolarHBondContact O-CD 3.05Å; P442-R444 HydrophobicContact CG-CG 4.4Å; P442-R444 PolarHBondContact O-N 2.91Å | ||
| 443 | K | 85.7 | Confident | 91.5 | Very high | 146 Ų | 146 | 50.6 Ų | 50.6 | 64% | 0.635 | 27% | 0.268 | S | S | * | . | trans | -75.8 | 86.3 | 177.9 | -69.9 | -178.9 | -177.6 | 167.9 | 0 | 111.3 | D445 H446 | K443-D445 PolarHBondContact O-N 3.08Å; K443-H446 PolarHBondContact O-CE1 3.28Å; K443-H446 PolarHBondContact O-ND1 3.05Å | ||
| 444 | R | 89.6 | Confident | 91.4 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -78.2 | 26 | 177.5 | -67.5 | 178.1 | 177.2 | 178.7 | -5.2 | 113.9 | F47 D48 D429 P442 H446 V447 Y509 | F47-R444 PolarHBondContact O-NH1 3.11Å; D48-R444 PolarHBondContact O-NH2 3.25Å; D429-R444 IonicContact OD1-CZ 3.27Å; D429-R444 IonicContact OD1-NE 2.79Å; D429-R444 IonicContact OD1-NH2 2.62Å; D429-R444 PolarHBondContact OD1-NH2 2.99Å; D429-R444 WeakPolarHBondContact OD2-CG 3.29Å; D429-R444 IonicContact OD2-CZ 3.88Å; D429-R444 IonicContact OD2-NE 2.72Å; D429-R444 PolarHBondContact OD2-NE 2.92Å; D429-R444 IonicContact OD2-NH2 2.7Å; D429-R444 PolarHBondContact OD2-NH2 3.07Å; P442-R444 HydrophobicContact CG-CG 4.4Å; P442-R444 PolarHBondContact O-N 2.91Å; R444-H446 PolarHBondContact O-N 3.34Å; R444-V447 HydrophobicContact CB-CB 4.14Å; R444-V447 HydrophobicContact CB-CG2 3.78Å; R444-V447 HydrophobicContact CG-CG2 4.06Å; R444-V447 WeakPolarHBondContact O-CB 3.45Å; R444-V447 PolarHBondContact O-N 3.14Å; R444-Y509 HydrophobicContact CB-CD1 3.6Å; R444-Y509 HydrophobicContact CB-CE1 3.96Å; R444-Y509 HydrophobicContact CB-CG 4.07Å; R444-Y509 HydrophobicContact CG-CD1 4.47Å; R444-Y509 HydrophobicContact CG-CE1 4.38Å; R444-Y509 PolarHBondContact NH1-OH 3.27Å |
| 445 | D | 89.3 | Confident | 91.4 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -60.5 | -27.8 | 177.6 | -61.6 | -29.7 | 0 | 0 | 0 | 112.3 | K443 V447 V491 | K443-D445 PolarHBondContact O-N 3.08Å; D445-V447 VanDerWaalsContact C-N 3.3Å; D445-V491 WeakPolarHBondContact O-CG2 3.46Å |
| 446 | H | 89.5 | Confident | 91.3 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -83.4 | 0.5 | 177.4 | 66.8 | -82.5 | 0 | 0 | 0 | 114.1 | K443 R444 S484 L485 P488 | K443-H446 PolarHBondContact O-CE1 3.28Å; K443-H446 PolarHBondContact O-ND1 3.05Å; R444-H446 PolarHBondContact O-N 3.34Å; H446-S484 PolarHBondContact CD2-OG 3.28Å; H446-S484 PolarHBondContact NE2-OG 2.96Å; H446-L485 PolarHBondContact O-N 2.94Å; H446-P488 HydrophobicContact CB-CB 4.22Å; H446-P488 HydrophobicContact CB-CG 4.09Å |
| 447 | V | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135 | -175.6 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | F47 R444 D445 F482 Y509 | F47-V447 HydrophobicContact CD1-CG1 4.46Å; F47-V447 HydrophobicContact CD1-CG2 4.29Å; F47-V447 HydrophobicContact CD2-CG1 4.19Å; F47-V447 HydrophobicContact CE1-CB 4.46Å; F47-V447 HydrophobicContact CE1-CG1 4.11Å; F47-V447 HydrophobicContact CE1-CG2 3.46Å; F47-V447 VanDerWaalsContact CE1-CG2 3.46Å; F47-V447 HydrophobicContact CE2-CG1 3.8Å; F47-V447 HydrophobicContact CE2-CG2 4.4Å; F47-V447 HydrophobicContact CG-CG1 4.48Å; F47-V447 HydrophobicContact CZ-CB 4.29Å; F47-V447 HydrophobicContact CZ-CG1 3.73Å; F47-V447 HydrophobicContact CZ-CG2 3.5Å; F47-V447 VanDerWaalsContact CZ-CG2 3.5Å; R444-V447 HydrophobicContact CB-CB 4.14Å; R444-V447 HydrophobicContact CB-CG2 3.78Å; R444-V447 HydrophobicContact CG-CG2 4.06Å; R444-V447 WeakPolarHBondContact O-CB 3.45Å; R444-V447 PolarHBondContact O-N 3.14Å; D445-V447 VanDerWaalsContact C-N 3.3Å; V447-F482 HydrophobicContact CG1-CB 4.13Å; V447-F482 HydrophobicContact CG1-CD1 4.31Å; V447-F482 HydrophobicContact CG1-CG 4.46Å; V447-Y509 HydrophobicContact CB-CG 4.41Å; V447-Y509 HydrophobicContact CG1-CD2 4.15Å; V447-Y509 HydrophobicContact CG1-CG 4.48Å; V447-Y509 VanDerWaalsContact O-CB 3.29Å; V447-Y509 WeakPolarHBondContact O-CB 3.38Å; V447-Y509 PolarHBondContact O-N 2.74Å |
| 448 | L | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.4 | -179.5 | -66.2 | 172.2 | 0 | 0 | 0 | 110.4 | F465 F482 V483 L485 V491 A494 V495 I506 | L448-F465 HydrophobicContact CD1-CE1 3.6Å; L448-F465 HydrophobicContact CD1-CZ 4.13Å; L448-F482 CarbonylContact O-C 3.5Å; L448-F482 VanDerWaalsContact O-CA 3.25Å; L448-F482 WeakPolarHBondContact O-CA 3.48Å; L448-V483 PolarHBondContact N-O 3.12Å; L448-V483 PolarHBondContact O-N 3.44Å; L448-L485 HydrophobicContact CD1-CD1 3.84Å; L448-L485 HydrophobicContact CD1-CD2 4.34Å; L448-L485 HydrophobicContact CD1-CG 4.03Å; L448-V491 HydrophobicContact CD2-CG1 3.75Å; L448-A494 HydrophobicContact CD1-CB 3.7Å; L448-V495 HydrophobicContact CD2-CG2 3.62Å; L448-I506 HydrophobicContact CB-CG2 4.07Å; L448-I506 HydrophobicContact CD1-CG2 3.87Å; L448-I506 HydrophobicContact CD2-CG2 3.8Å; L448-I506 HydrophobicContact CG-CG2 4.13Å |
| 449 | H | 94.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 65 Ų | 65 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.4 | 165.5 | 174.5 | -77.6 | 0 | 0 | 0 | 109 | T451 F482 Q507 Y512 | H449-T451 PolarHBondContact CE1-OG1 3.3Å; H449-T451 VanDerWaalsContact CE1-OG1 3.23Å; H449-F482 HydrophobicContact CB-CD1 4.23Å; H449-F482 HydrophobicContact CB-CE1 4.17Å; H449-F482 AromaticContact CD2-CE1 3.96Å; H449-Q507 HydrophobicContact CB-CG 3.93Å; H449-Q507 PolarHBondContact N-O 3.17Å; H449-Q507 PolarHBondContact ND1-NE2 3.08Å; H449-Q507 PolarHBondContact O-N 2.83Å; H449-Y512 HydrophobicContact CB-CD2 4.27Å; H449-Y512 HydrophobicContact CB-CG 4.06Å; H449-Y512 AromaticContact CD2-CD2 3.22Å; H449-Y512 WeakPolarHBondContact CD2-CD2 3.44Å; H449-Y512 AromaticContact CD2-CE2 3.32Å; H449-Y512 WeakPolarHBondContact CD2-CE2 3.33Å; H449-Y512 AromaticContact CD2-CG 3.69Å; H449-Y512 AromaticContact CD2-CZ 3.9Å; H449-Y512 AromaticContact CE1-CD2 3.95Å; H449-Y512 AromaticContact CG-CD2 3.62Å; H449-Y512 AromaticContact CG-CG 3.91Å; H449-Y512 AromaticContact NE2-CD2 3.45Å; H449-Y512 WeakPolarHBondContact NE2-CD2 3.43Å; H449-Y512 AromaticContact NE2-CE2 3.26Å; H449-Y512 VanDerWaalsContact NE2-CE2 3.26Å; H449-Y512 WeakPolarHBondContact NE2-CE2 3.44Å |
| 450 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.4 | -178.6 | -165 | 0 | 0 | 0 | 0 | 109.3 | F452 L461 L464 F465 S480 A481 V483 R505 I506 | V450-F452 HydrophobicContact CB-CD1 4.31Å; V450-F452 HydrophobicContact CG1-CD1 3.97Å; V450-L461 HydrophobicContact CG1-CD2 4.35Å; V450-L464 HydrophobicContact CG1-CD2 4.43Å; V450-F465 HydrophobicContact CG2-CE2 3.84Å; V450-F465 HydrophobicContact CG2-CZ 3.69Å; V450-S480 WeakPolarHBondContact O-CA 3.41Å; V450-S480 WeakPolarHBondContact O-CB 3.34Å; V450-A481 PolarHBondContact N-O 3.28Å; V450-A481 PolarHBondContact O-N 3.2Å; V450-V483 HydrophobicContact CG2-CB 4.2Å; V450-V483 HydrophobicContact CG2-CG2 3.69Å; V450-R505 WeakPolarHBondContact CA-O 3.38Å; V450-I506 HydrophobicContact CG1-CG1 4.12Å; V450-I506 HydrophobicContact CG2-CG1 4.32Å |
| 451 | T | 94.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 63 Ų | 63 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.5 | 170 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | H449 T479 Y504 R505 | H449-T451 PolarHBondContact CE1-OG1 3.3Å; H449-T451 VanDerWaalsContact CE1-OG1 3.23Å; T451-T479 CarbonylContact C-O 3.55Å; T451-T479 VanDerWaalsContact CA-O 3.31Å; T451-T479 WeakPolarHBondContact CA-O 3.43Å; T451-Y504 CarbonylContact O-C 3.58Å; T451-Y504 WeakPolarHBondContact O-CA 3.47Å; T451-Y504 VanDerWaalsContact O-CB 3.31Å; T451-Y504 WeakPolarHBondContact O-CB 3.49Å; T451-R505 PolarHBondContact N-O 3.5Å; T451-R505 PolarHBondContact O-N 3.35Å |
| 452 | F | 95.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | trans | -152.9 | 170 | -171.3 | 47.4 | -105.6 | 0 | 0 | 0 | 111.5 | V450 W456 L461 W475 T479 A481 | V450-F452 HydrophobicContact CB-CD1 4.31Å; V450-F452 HydrophobicContact CG1-CD1 3.97Å; F452-W456 HydrophobicContact CB-CD2 3.74Å; F452-W456 HydrophobicContact CB-CE3 3.56Å; F452-W456 HydrophobicContact CB-CG 4.19Å; F452-W456 HydrophobicContact CB-CZ3 4Å; F452-W456 HydrophobicContact CD1-CE3 4.3Å; F452-W456 HydrophobicContact CD2-CB 3.75Å; F452-W456 HydrophobicContact CD2-CE3 4.46Å; F452-W456 HydrophobicContact CD2-CG 4.26Å; F452-W456 HydrophobicContact CE2-CB 4.29Å; F452-W456 HydrophobicContact CG-CB 4.3Å; F452-W456 HydrophobicContact CG-CD2 4.22Å; F452-W456 AromaticContact CG-CE3 3.86Å; F452-W456 HydrophobicContact CG-CE3 3.86Å; F452-W456 HydrophobicContact CG-CG 4.43Å; F452-L461 HydrophobicContact CD1-CD2 3.85Å; F452-L461 HydrophobicContact CE1-CD1 4.05Å; F452-L461 HydrophobicContact CE1-CD2 3.88Å; F452-L461 HydrophobicContact CE1-CG 4.44Å; F452-L461 HydrophobicContact CZ-CD1 4.34Å; F452-W475 HydrophobicContact CE2-CE3 4.44Å; F452-W475 AromaticContact CE2-CH2 3.96Å; F452-W475 HydrophobicContact CE2-CH2 3.96Å; F452-W475 AromaticContact CE2-CZ3 3.53Å; F452-W475 HydrophobicContact CE2-CZ3 3.53Å; F452-W475 AromaticContact CZ-CE3 3.98Å; F452-W475 HydrophobicContact CZ-CE3 3.98Å; F452-W475 AromaticContact CZ-CH2 3.86Å; F452-W475 HydrophobicContact CZ-CH2 3.86Å; F452-W475 AromaticContact CZ-CZ3 3.4Å; F452-W475 HydrophobicContact CZ-CZ3 3.4Å; F452-W475 VanDerWaalsContact CZ-CZ3 3.4Å; F452-T479 VanDerWaalsContact CE2-C 3.46Å; F452-T479 PolarHBondContact N-O 2.95Å; F452-A481 HydrophobicContact CE1-CB 3.88Å; F452-A481 HydrophobicContact CZ-CB 4.1Å | ||
| 453 | P | 95.7 | Very high | 93 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | trans | -68.2 | 147.9 | 177.6 | -17.4 | 33.9 | 0 | 0 | 0 | 112.2 | E455 W456 S503 | P453-E455 WeakPolarHBondContact CB-OE2 3.49Å; P453-E455 PolarHBondContact O-N 3.41Å; P453-W456 WeakPolarHBondContact O-CB 3.47Å; P453-W456 PolarHBondContact O-N 3.07Å; P453-S503 VanDerWaalsContact CD-O 3.24Å; P453-S503 WeakPolarHBondContact CD-O 3.2Å; P453-S503 WeakPolarHBondContact CG-O 3.48Å | ||
| 454 | K | 94.4 | Very high | 93.3 | Very high | 133 Ų | 133 | 59.5 Ų | 59.5 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19 | -173 | 177.4 | 166.6 | 175.3 | 144.9 | 0 | 114.8 | W456 D478 T479 | K454-W456 VanDerWaalsContact C-N 3.3Å; K454-D478 WeakPolarHBondContact CA-O 3.26Å; K454-D478 VanDerWaalsContact CD-OD2 3.29Å; K454-D478 WeakPolarHBondContact CD-OD2 3.42Å; K454-D478 WeakPolarHBondContact CE-OD2 3.25Å; K454-D478 HydrophobicContact CG-CB 4.31Å; K454-D478 IonicContact NZ-OD2 2.63Å; K454-D478 PolarHBondContact NZ-OD2 3.36Å; K454-T479 HydrophobicContact CB-CG2 4.28Å |
| 455 | E | 94.7 | Very high | 93.5 | Very high | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14 | -178.5 | -55.9 | 70.2 | -150.1 | 0 | 0 | 112.9 | P453 | P453-E455 WeakPolarHBondContact CB-OE2 3.49Å; P453-E455 PolarHBondContact O-N 3.41Å |
| 456 | W | 93.8 | Very high | 93.6 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | trans | -69 | 147.4 | -177 | -80.5 | 33.9 | 0 | 0 | 0 | 112.8 | F452 P453 K454 D460 L461 L464 Y504 | F452-W456 HydrophobicContact CB-CD2 3.74Å; F452-W456 HydrophobicContact CB-CE3 3.56Å; F452-W456 HydrophobicContact CB-CG 4.19Å; F452-W456 HydrophobicContact CB-CZ3 4Å; F452-W456 HydrophobicContact CD1-CE3 4.3Å; F452-W456 HydrophobicContact CD2-CB 3.75Å; F452-W456 HydrophobicContact CD2-CE3 4.46Å; F452-W456 HydrophobicContact CD2-CG 4.26Å; F452-W456 HydrophobicContact CE2-CB 4.29Å; F452-W456 HydrophobicContact CG-CB 4.3Å; F452-W456 HydrophobicContact CG-CD2 4.22Å; F452-W456 AromaticContact CG-CE3 3.86Å; F452-W456 HydrophobicContact CG-CE3 3.86Å; F452-W456 HydrophobicContact CG-CG 4.43Å; P453-W456 WeakPolarHBondContact O-CB 3.47Å; P453-W456 PolarHBondContact O-N 3.07Å; K454-W456 VanDerWaalsContact C-N 3.3Å; W456-D460 HydrophobicContact CB-CB 4.39Å; W456-D460 HydrophobicContact CD2-CB 3.95Å; W456-D460 HydrophobicContact CE3-CB 3.94Å; W456-D460 HydrophobicContact CG-CB 4.17Å; W456-L461 HydrophobicContact CE3-CD2 4.11Å; W456-L461 HydrophobicContact CZ3-CD2 4.19Å; W456-L464 HydrophobicContact CH2-CD2 4.1Å; W456-L464 HydrophobicContact CZ3-CD2 3.83Å; W456-Y504 AromaticContact CH2-CD1 3.7Å; W456-Y504 HydrophobicContact CH2-CD1 3.7Å; W456-Y504 HydrophobicContact CH2-CE1 4.48Å; W456-Y504 HydrophobicContact CH2-CG 4Å; W456-Y504 HydrophobicContact CZ2-CD1 4.21Å | ||
| 457 | K | 92.9 | Very high | 93.6 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | trans | -125.5 | 174 | -180 | -60.1 | 174.7 | -175 | 173.8 | 0 | 109.8 | S459 D460 L461 | K457-S459 PolarHBondContact O-N 2.95Å; K457-S459 VanDerWaalsContact O-N 3.12Å; K457-D460 WeakPolarHBondContact CA-OD2 3.24Å; K457-D460 WeakPolarHBondContact CB-OD2 3.44Å; K457-D460 PolarHBondContact N-OD2 2.76Å; K457-D460 PolarHBondContact O-N 2.64Å; K457-L461 PolarHBondContact O-N 3.29Å | ||
| 458 | T | 91.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -31 | -180 | -42.2 | 0 | 0 | 0 | 0 | 112.2 | D460 L461 Y462 I473 W475 | T458-D460 PolarHBondContact O-N 3.32Å; T458-L461 PolarHBondContact O-N 2.93Å; T458-Y462 HydrophobicContact CG2-CD2 3.94Å; T458-Y462 HydrophobicContact CG2-CE2 3.66Å; T458-Y462 WeakPolarHBondContact O-CD2 3.32Å; T458-Y462 PolarHBondContact O-N 3.08Å; T458-I473 HydrophobicContact CG2-CD1 3.57Å; T458-W475 PolarHBondContact OG1-NE1 2.98Å |
| 459 | S | 94.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 173.2 | 41.9 | 0 | 0 | 0 | 0 | 113.3 | K457 Y462 Q463 | K457-S459 PolarHBondContact O-N 2.95Å; K457-S459 VanDerWaalsContact O-N 3.12Å; S459-Y462 PolarHBondContact O-N 3.1Å; S459-Q463 WeakPolarHBondContact O-CB 3.48Å; S459-Q463 PolarHBondContact O-N 2.67Å |
| 460 | D | 95.1 | Very high | 92.8 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | -176.3 | -51.4 | -79.9 | 0 | 0 | 0 | 110.6 | W456 K457 T458 Q463 L464 | W456-D460 HydrophobicContact CB-CB 4.39Å; W456-D460 HydrophobicContact CD2-CB 3.95Å; W456-D460 HydrophobicContact CE3-CB 3.94Å; W456-D460 HydrophobicContact CG-CB 4.17Å; K457-D460 WeakPolarHBondContact CA-OD2 3.24Å; K457-D460 WeakPolarHBondContact CB-OD2 3.44Å; K457-D460 PolarHBondContact N-OD2 2.76Å; K457-D460 PolarHBondContact O-N 2.64Å; T458-D460 PolarHBondContact O-N 3.32Å; D460-Q463 PolarHBondContact O-N 3.47Å; D460-L464 VanDerWaalsContact O-CB 3.3Å; D460-L464 WeakPolarHBondContact O-CB 3.39Å; D460-L464 PolarHBondContact O-N 2.69Å |
| 461 | L | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 171 | -67.1 | 174.8 | 0 | 0 | 0 | 112.1 | V450 F452 W456 K457 T458 Q463 L464 F465 I473 W475 A481 | V450-L461 HydrophobicContact CG1-CD2 4.35Å; F452-L461 HydrophobicContact CD1-CD2 3.85Å; F452-L461 HydrophobicContact CE1-CD1 4.05Å; F452-L461 HydrophobicContact CE1-CD2 3.88Å; F452-L461 HydrophobicContact CE1-CG 4.44Å; F452-L461 HydrophobicContact CZ-CD1 4.34Å; W456-L461 HydrophobicContact CE3-CD2 4.11Å; W456-L461 HydrophobicContact CZ3-CD2 4.19Å; K457-L461 PolarHBondContact O-N 3.29Å; T458-L461 PolarHBondContact O-N 2.93Å; L461-Q463 VanDerWaalsContact C-N 3.29Å; L461-Q463 PolarHBondContact O-N 3.08Å; L461-L464 PolarHBondContact O-N 3.25Å; L461-F465 WeakPolarHBondContact O-CD2 3.34Å; L461-F465 PolarHBondContact O-N 2.79Å; L461-I473 HydrophobicContact CB-CD1 3.65Å; L461-I473 HydrophobicContact CB-CG1 4.39Å; L461-I473 HydrophobicContact CD1-CD1 4.27Å; L461-I473 HydrophobicContact CD1-CG2 3.7Å; L461-W475 HydrophobicContact CD1-CH2 4.25Å; L461-W475 HydrophobicContact CD1-CZ2 3.88Å; L461-A481 HydrophobicContact CD1-CB 4.07Å |
| 462 | Y | 93.6 | Very high | 92.3 | Very high | 112 Ų | 112 | 70.1 Ų | 70.1 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 173 | -82.7 | -63.9 | 0 | 0 | 0 | 112.4 | T458 S459 S466 I471 I473 | T458-Y462 HydrophobicContact CG2-CD2 3.94Å; T458-Y462 HydrophobicContact CG2-CE2 3.66Å; T458-Y462 WeakPolarHBondContact O-CD2 3.32Å; T458-Y462 PolarHBondContact O-N 3.08Å; S459-Y462 PolarHBondContact O-N 3.1Å; Y462-S466 WeakPolarHBondContact O-CA 3.41Å; Y462-S466 WeakPolarHBondContact O-CB 3.34Å; Y462-S466 PolarHBondContact O-N 3.13Å; Y462-I471 HydrophobicContact CD1-CD1 3.64Å; Y462-I471 HydrophobicContact CD1-CG1 3.6Å; Y462-I471 HydrophobicContact CE1-CD1 4.03Å; Y462-I471 HydrophobicContact CE1-CG1 3.49Å; Y462-I471 VanDerWaalsContact CE1-CG1 3.49Å; Y462-I471 HydrophobicContact CG-CD1 4.31Å; Y462-I473 HydrophobicContact CD2-CD1 4.01Å; Y462-I473 HydrophobicContact CE1-CD1 4.43Å; Y462-I473 HydrophobicContact CE2-CD1 3.91Å; Y462-I473 HydrophobicContact CG-CD1 4.3Å |
| 463 | Q | 93.2 | Very high | 92 | Very high | 145 Ų | 145 | 71.3 Ų | 71.3 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.9 | -47.3 | 176.4 | -175.9 | 173.1 | -9.4 | 0 | 0 | 111.6 | S459 D460 L461 F465 S466 | S459-Q463 WeakPolarHBondContact O-CB 3.48Å; S459-Q463 PolarHBondContact O-N 2.67Å; D460-Q463 PolarHBondContact O-N 3.47Å; L461-Q463 VanDerWaalsContact C-N 3.29Å; L461-Q463 PolarHBondContact O-N 3.08Å; Q463-F465 VanDerWaalsContact C-N 3.29Å; Q463-F465 PolarHBondContact O-N 2.88Å; Q463-S466 WeakPolarHBondContact O-CB 3.37Å; Q463-S466 PolarHBondContact O-N 2.76Å; Q463-S466 PolarHBondContact O-OG 2.98Å |
| 464 | L | 93 | Very high | 91.7 | Very high | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 177.7 | 172.4 | 59.6 | 0 | 0 | 0 | 112 | V450 W456 D460 L461 Y504 I506 | V450-L464 HydrophobicContact CG1-CD2 4.43Å; W456-L464 HydrophobicContact CH2-CD2 4.1Å; W456-L464 HydrophobicContact CZ3-CD2 3.83Å; D460-L464 VanDerWaalsContact O-CB 3.3Å; D460-L464 WeakPolarHBondContact O-CB 3.39Å; D460-L464 PolarHBondContact O-N 2.69Å; L461-L464 PolarHBondContact O-N 3.25Å; L464-Y504 HydrophobicContact CD1-CE1 3.85Å; L464-Y504 HydrophobicContact CD1-CE2 3.8Å; L464-Y504 VanDerWaalsContact CD1-CZ 3.42Å; L464-Y504 WeakPolarHBondContact CD1-OH 3.45Å; L464-Y504 HydrophobicContact CD2-CD2 3.95Å; L464-Y504 HydrophobicContact CD2-CE2 3.97Å; L464-Y504 HydrophobicContact CD2-CG 4.29Å; L464-I506 HydrophobicContact CD2-CD1 4.5Å |
| 465 | F | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.3 | -176.6 | -72.9 | -86.6 | 0 | 0 | 0 | 114.6 | L448 V450 L461 Q463 A467 F468 I471 V483 L485 A494 I506 | L448-F465 HydrophobicContact CD1-CE1 3.6Å; L448-F465 HydrophobicContact CD1-CZ 4.13Å; V450-F465 HydrophobicContact CG2-CE2 3.84Å; V450-F465 HydrophobicContact CG2-CZ 3.69Å; L461-F465 WeakPolarHBondContact O-CD2 3.34Å; L461-F465 PolarHBondContact O-N 2.79Å; Q463-F465 VanDerWaalsContact C-N 3.29Å; Q463-F465 PolarHBondContact O-N 2.88Å; F465-A467 PolarHBondContact O-N 3.4Å; F465-F468 HydrophobicContact CB-CD2 4.19Å; F465-F468 AromaticContact CD1-CD2 3.67Å; F465-F468 HydrophobicContact CD1-CD2 3.67Å; F465-F468 HydrophobicContact CD1-CE2 4.09Å; F465-F468 HydrophobicContact CG-CD2 4.36Å; F465-F468 WeakPolarHBondContact O-CB 3.29Å; F465-F468 PolarHBondContact O-N 2.97Å; F465-I471 HydrophobicContact CB-CD1 3.68Å; F465-I471 HydrophobicContact CB-CG2 3.93Å; F465-I471 HydrophobicContact CG-CD1 4.36Å; F465-V483 HydrophobicContact CD1-CG1 4.21Å; F465-V483 HydrophobicContact CD2-CG1 4Å; F465-V483 HydrophobicContact CD2-CG2 4.4Å; F465-V483 HydrophobicContact CE1-CG1 4.26Å; F465-V483 HydrophobicContact CE2-CB 4.23Å; F465-V483 HydrophobicContact CE2-CG1 4.05Å; F465-V483 HydrophobicContact CE2-CG2 3.95Å; F465-V483 HydrophobicContact CG-CG1 4.08Å; F465-V483 HydrophobicContact CZ-CB 4.26Å; F465-V483 HydrophobicContact CZ-CG1 4.18Å; F465-V483 HydrophobicContact CZ-CG2 4.39Å; F465-L485 HydrophobicContact CD1-CD2 3.71Å; F465-L485 HydrophobicContact CE1-CD2 4.13Å; F465-A494 HydrophobicContact CE1-CB 4.07Å; F465-I506 HydrophobicContact CE1-CD1 4Å; F465-I506 HydrophobicContact CE2-CD1 4.39Å; F465-I506 HydrophobicContact CZ-CD1 3.57Å; F465-I506 HydrophobicContact CZ-CG1 4.18Å |
| 466 | S | 91.9 | Very high | 90.9 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -54.3 | -29.2 | -176.6 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | Y462 Q463 F468 | Y462-S466 WeakPolarHBondContact O-CA 3.41Å; Y462-S466 WeakPolarHBondContact O-CB 3.34Å; Y462-S466 PolarHBondContact O-N 3.13Å; Q463-S466 WeakPolarHBondContact O-CB 3.37Å; Q463-S466 PolarHBondContact O-N 2.76Å; Q463-S466 PolarHBondContact O-OG 2.98Å; S466-F468 PolarHBondContact O-N 3.45Å |
| 467 | A | 88.9 | Confident | 90.5 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 70% | 0.702 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -69.8 | -15.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F465 | F465-A467 PolarHBondContact O-N 3.4Š|
| 468 | F | 88.7 | Confident | 90.3 | Very high | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.114 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -103.7 | 11.4 | -175.3 | -52.9 | -68.7 | 0 | 0 | 0 | 113.2 | F465 S466 L485 Q490 I493 A494 | F465-F468 HydrophobicContact CB-CD2 4.19Å; F465-F468 AromaticContact CD1-CD2 3.67Å; F465-F468 HydrophobicContact CD1-CD2 3.67Å; F465-F468 HydrophobicContact CD1-CE2 4.09Å; F465-F468 HydrophobicContact CG-CD2 4.36Å; F465-F468 WeakPolarHBondContact O-CB 3.29Å; F465-F468 PolarHBondContact O-N 2.97Å; S466-F468 PolarHBondContact O-N 3.45Å; F468-L485 HydrophobicContact CB-CD2 4.08Å; F468-Q490 VanDerWaalsContact CA-OE1 3.24Å; F468-Q490 VanDerWaalsContact CB-OE1 3.28Å; F468-Q490 HydrophobicContact CD1-CB 3.81Å; F468-Q490 HydrophobicContact CD1-CG 4.38Å; F468-Q490 HydrophobicContact CE1-CB 4.32Å; F468-Q490 PolarHBondContact O-OE1 3.48Å; F468-I493 HydrophobicContact CE1-CB 4.11Å; F468-I493 HydrophobicContact CE1-CG2 4Å; F468-I493 HydrophobicContact CZ-CG2 4.29Å; F468-A494 HydrophobicContact CE1-CB 4.31Å; F468-A494 HydrophobicContact CE2-CB 3.92Å; F468-A494 HydrophobicContact CZ-CB 3.76Å |
| 469 | G | 87.2 | Confident | 90.3 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | trans | 78.8 | -144.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 470 | N | 88.3 | Confident | 90.3 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -75 | 142.1 | 178.6 | -165.7 | 33.8 | 0 | 0 | 0 | 110.8 | S486 | N470-S486 PolarHBondContact O-OG 3.04Š|
| 471 | I | 90.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159 | -179.4 | 66.1 | -174.8 | 0 | 0 | 0 | 110.4 | Y462 F465 I473 V483 S484 L485 | Y462-I471 HydrophobicContact CD1-CD1 3.64Å; Y462-I471 HydrophobicContact CD1-CG1 3.6Å; Y462-I471 HydrophobicContact CE1-CD1 4.03Å; Y462-I471 HydrophobicContact CE1-CG1 3.49Å; Y462-I471 VanDerWaalsContact CE1-CG1 3.49Å; Y462-I471 HydrophobicContact CG-CD1 4.31Å; F465-I471 HydrophobicContact CB-CD1 3.68Å; F465-I471 HydrophobicContact CB-CG2 3.93Å; F465-I471 HydrophobicContact CG-CD1 4.36Å; I471-I473 HydrophobicContact CD1-CD1 4.03Å; I471-I473 HydrophobicContact CD1-CG1 4.06Å; I471-I473 HydrophobicContact CG1-CD1 4.44Å; I471-I473 HydrophobicContact CG1-CG1 4.24Å; I471-V483 HydrophobicContact CB-CG1 4.06Å; I471-V483 HydrophobicContact CD1-CG1 4.14Å; I471-V483 HydrophobicContact CG2-CG1 4.29Å; I471-S484 VanDerWaalsContact CA-O 3.26Å; I471-S484 WeakPolarHBondContact CA-O 3.17Å; I471-S484 WeakPolarHBondContact CB-O 3.42Å; I471-L485 HydrophobicContact CG2-CD2 3.93Å |
| 472 | Q | 88.4 | Confident | 90.1 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131 | 167.3 | -61.1 | 171.8 | -20.4 | 0 | 0 | 108.8 | M428 V483 S484 | M428-Q472 HydrophobicContact SD-CB 4.5Å; M428-Q472 PolarHBondContact SD-OE1 2.89Å; Q472-V483 CarbonylContact O-C 3.52Å; Q472-V483 WeakPolarHBondContact O-CA 3.39Å; Q472-S484 PolarHBondContact N-O 2.94Å; Q472-S484 PolarHBondContact O-N 2.94Å |
| 473 | I | 89.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.7 | -178 | -60.6 | 162.2 | 0 | 0 | 0 | 108.7 | T458 L461 Y462 I471 A481 F482 V483 | T458-I473 HydrophobicContact CG2-CD1 3.57Å; L461-I473 HydrophobicContact CB-CD1 3.65Å; L461-I473 HydrophobicContact CB-CG1 4.39Å; L461-I473 HydrophobicContact CD1-CD1 4.27Å; L461-I473 HydrophobicContact CD1-CG2 3.7Å; Y462-I473 HydrophobicContact CD2-CD1 4.01Å; Y462-I473 HydrophobicContact CE1-CD1 4.43Å; Y462-I473 HydrophobicContact CE2-CD1 3.91Å; Y462-I473 HydrophobicContact CG-CD1 4.3Å; I471-I473 HydrophobicContact CD1-CD1 4.03Å; I471-I473 HydrophobicContact CD1-CG1 4.06Å; I471-I473 HydrophobicContact CG1-CD1 4.44Å; I471-I473 HydrophobicContact CG1-CG1 4.24Å; I473-A481 HydrophobicContact CG2-CB 4.14Å; I473-F482 WeakPolarHBondContact CA-O 3.47Å; I473-V483 HydrophobicContact CG1-CG2 4.43Å |
| 474 | S | 87.9 | Confident | 90 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 102.8 | 174.3 | -160.5 | 0 | 0 | 0 | 0 | 110.1 | N45 G46 F482 | N45-S474 PolarHBondContact ND2-OG 3.37Å; N45-S474 PolarHBondContact OD1-OG 3.1Å; G46-S474 PolarHBondContact N-OG 3.33Å; G46-S474 VanDerWaalsContact N-OG 3.08Å; S474-F482 PolarHBondContact N-O 2.94Å; S474-F482 PolarHBondContact O-N 3.38Å |
| 475 | W | 87.1 | Confident | 90 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134.7 | -176.1 | -71.7 | 84.6 | 0 | 0 | 0 | 112.3 | N45 F452 T458 L461 A481 | N45-W475 PolarHBondContact ND2-O 2.82Å; F452-W475 HydrophobicContact CE2-CE3 4.44Å; F452-W475 AromaticContact CE2-CH2 3.96Å; F452-W475 HydrophobicContact CE2-CH2 3.96Å; F452-W475 AromaticContact CE2-CZ3 3.53Å; F452-W475 HydrophobicContact CE2-CZ3 3.53Å; F452-W475 AromaticContact CZ-CE3 3.98Å; F452-W475 HydrophobicContact CZ-CE3 3.98Å; F452-W475 AromaticContact CZ-CH2 3.86Å; F452-W475 HydrophobicContact CZ-CH2 3.86Å; F452-W475 AromaticContact CZ-CZ3 3.4Å; F452-W475 HydrophobicContact CZ-CZ3 3.4Å; F452-W475 VanDerWaalsContact CZ-CZ3 3.4Å; T458-W475 PolarHBondContact OG1-NE1 2.98Å; L461-W475 HydrophobicContact CD1-CH2 4.25Å; L461-W475 HydrophobicContact CD1-CZ2 3.88Å; W475-A481 HydrophobicContact CD2-CB 4.48Å |
| 476 | I | 85.5 | Confident | 89.6 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | trans | -99.2 | -53.2 | 177.8 | -58.6 | 167.6 | 0 | 0 | 0 | 109 | S480 F482 | I476-S480 WeakPolarHBondContact CB-O 3.37Å; I476-S480 PolarHBondContact N-O 3.18Å; I476-F482 HydrophobicContact CD1-CD1 4.02Å; I476-F482 HydrophobicContact CD1-CD2 3.76Å; I476-F482 HydrophobicContact CD1-CE1 3.86Å; I476-F482 HydrophobicContact CD1-CE2 3.61Å; I476-F482 HydrophobicContact CD1-CG 3.96Å; I476-F482 HydrophobicContact CD1-CZ 3.66Å; I476-F482 HydrophobicContact CG1-CD2 3.78Å; I476-F482 HydrophobicContact CG1-CE2 3.79Å; I476-F482 HydrophobicContact CG1-CG 4.34Å; I476-F482 HydrophobicContact CG1-CZ 4.34Å | ||
| 477 | D | 85.7 | Confident | 89.3 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -149 | -169.1 | 175.3 | 55.6 | 52.4 | 0 | 0 | 0 | 110 | T479 S480 | D477-T479 PolarHBondContact O-N 2.84Å; D477-T479 WeakPolarHBondContact OD1-CA 3.48Å; D477-T479 PolarHBondContact OD1-N 3.24Å; D477-T479 PolarHBondContact OD1-OG1 3.21Å; D477-S480 PolarHBondContact N-O 2.89Å; D477-S480 PolarHBondContact OD1-N 3.49Å; D477-S480 PolarHBondContact OD1-OG 3.08Å; D477-S480 PolarHBondContact OD2-OG 2.95Å |
| 478 | D | 88.8 | Confident | 89 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -74.3 | -4.8 | -179.6 | 59.1 | -14.6 | 0 | 0 | 0 | 114.4 | K454 | K454-D478 WeakPolarHBondContact CA-O 3.26Å; K454-D478 VanDerWaalsContact CD-OD2 3.29Å; K454-D478 WeakPolarHBondContact CD-OD2 3.42Å; K454-D478 WeakPolarHBondContact CE-OD2 3.25Å; K454-D478 HydrophobicContact CG-CB 4.31Å; K454-D478 IonicContact NZ-OD2 2.63Å; K454-D478 PolarHBondContact NZ-OD2 3.36Å |
| 479 | T | 92.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -123.8 | -2.3 | 179.2 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | T451 F452 K454 D477 | T451-T479 CarbonylContact C-O 3.55Å; T451-T479 VanDerWaalsContact CA-O 3.31Å; T451-T479 WeakPolarHBondContact CA-O 3.43Å; F452-T479 VanDerWaalsContact CE2-C 3.46Å; F452-T479 PolarHBondContact N-O 2.95Å; K454-T479 HydrophobicContact CB-CG2 4.28Å; D477-T479 PolarHBondContact O-N 2.84Å; D477-T479 WeakPolarHBondContact OD1-CA 3.48Å; D477-T479 PolarHBondContact OD1-N 3.24Å; D477-T479 PolarHBondContact OD1-OG1 3.21Å |
| 480 | S | 93.1 | Very high | 89 | Confident | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148.2 | -176.3 | 69.3 | 0 | 0 | 0 | 0 | 115.2 | V450 I476 D477 | V450-S480 WeakPolarHBondContact O-CA 3.41Å; V450-S480 WeakPolarHBondContact O-CB 3.34Å; I476-S480 WeakPolarHBondContact CB-O 3.37Å; I476-S480 PolarHBondContact N-O 3.18Å; D477-S480 PolarHBondContact N-O 2.89Å; D477-S480 PolarHBondContact OD1-N 3.49Å; D477-S480 PolarHBondContact OD1-OG 3.08Å; D477-S480 PolarHBondContact OD2-OG 2.95Å |
| 481 | A | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V450 F452 L461 I473 W475 | V450-A481 PolarHBondContact N-O 3.28Å; V450-A481 PolarHBondContact O-N 3.2Å; F452-A481 HydrophobicContact CE1-CB 3.88Å; F452-A481 HydrophobicContact CZ-CB 4.1Å; L461-A481 HydrophobicContact CD1-CB 4.07Å; I473-A481 HydrophobicContact CG2-CB 4.14Å; W475-A481 HydrophobicContact CD2-CB 4.48Å |
| 482 | F | 92.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 137 | 161.4 | -65.7 | -57.7 | 0 | 0 | 0 | 110.2 | F47 V447 L448 H449 I473 S474 I476 Y509 Y512 | F47-F482 HydrophobicContact CB-CD2 3.82Å; F47-F482 HydrophobicContact CB-CE2 4.26Å; F47-F482 HydrophobicContact CB-CG 4.42Å; F47-F482 HydrophobicContact CD2-CB 3.47Å; F47-F482 VanDerWaalsContact CD2-CB 3.47Å; F47-F482 HydrophobicContact CD2-CD2 4.11Å; F47-F482 HydrophobicContact CD2-CG 4.04Å; F47-F482 HydrophobicContact CE2-CB 3.87Å; F47-F482 HydrophobicContact CG-CB 4.41Å; F47-F482 HydrophobicContact CG-CD2 4.4Å; V447-F482 HydrophobicContact CG1-CB 4.13Å; V447-F482 HydrophobicContact CG1-CD1 4.31Å; V447-F482 HydrophobicContact CG1-CG 4.46Å; L448-F482 CarbonylContact O-C 3.5Å; L448-F482 VanDerWaalsContact O-CA 3.25Å; L448-F482 WeakPolarHBondContact O-CA 3.48Å; H449-F482 HydrophobicContact CB-CD1 4.23Å; H449-F482 HydrophobicContact CB-CE1 4.17Å; H449-F482 AromaticContact CD2-CE1 3.96Å; I473-F482 WeakPolarHBondContact CA-O 3.47Å; S474-F482 PolarHBondContact N-O 2.94Å; S474-F482 PolarHBondContact O-N 3.38Å; I476-F482 HydrophobicContact CD1-CD1 4.02Å; I476-F482 HydrophobicContact CD1-CD2 3.76Å; I476-F482 HydrophobicContact CD1-CE1 3.86Å; I476-F482 HydrophobicContact CD1-CE2 3.61Å; I476-F482 HydrophobicContact CD1-CG 3.96Å; I476-F482 HydrophobicContact CD1-CZ 3.66Å; I476-F482 HydrophobicContact CG1-CD2 3.78Å; I476-F482 HydrophobicContact CG1-CE2 3.79Å; I476-F482 HydrophobicContact CG1-CG 4.34Å; I476-F482 HydrophobicContact CG1-CZ 4.34Å; F482-Y509 AromaticContact CD1-CD2 3.99Å; F482-Y509 HydrophobicContact CD1-CD2 3.99Å; F482-Y509 HydrophobicContact CD1-CE2 4.37Å; F482-Y509 AromaticContact CE1-CD2 3.6Å; F482-Y509 HydrophobicContact CE1-CD2 3.6Å; F482-Y509 AromaticContact CE1-CE2 3.76Å; F482-Y509 HydrophobicContact CE1-CE2 3.76Å; F482-Y509 HydrophobicContact CE2-CE2 4.48Å; F482-Y509 HydrophobicContact CZ-CD2 4.17Å; F482-Y509 AromaticContact CZ-CE2 3.82Å; F482-Y509 HydrophobicContact CZ-CE2 3.82Å; F482-Y512 AromaticContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CD1 3.89Å; F482-Y512 AromaticContact CE1-CE1 3.95Å; F482-Y512 HydrophobicContact CE1-CE1 3.95Å; F482-Y512 HydrophobicContact CZ-CD1 4.06Å; F482-Y512 AromaticContact CZ-CE1 3.66Å; F482-Y512 HydrophobicContact CZ-CE1 3.66Å |
| 483 | V | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | L448 V450 F465 I471 Q472 I473 L485 | L448-V483 PolarHBondContact N-O 3.12Å; L448-V483 PolarHBondContact O-N 3.44Å; V450-V483 HydrophobicContact CG2-CB 4.2Å; V450-V483 HydrophobicContact CG2-CG2 3.69Å; F465-V483 HydrophobicContact CD1-CG1 4.21Å; F465-V483 HydrophobicContact CD2-CG1 4Å; F465-V483 HydrophobicContact CD2-CG2 4.4Å; F465-V483 HydrophobicContact CE1-CG1 4.26Å; F465-V483 HydrophobicContact CE2-CB 4.23Å; F465-V483 HydrophobicContact CE2-CG1 4.05Å; F465-V483 HydrophobicContact CE2-CG2 3.95Å; F465-V483 HydrophobicContact CG-CG1 4.08Å; F465-V483 HydrophobicContact CZ-CB 4.26Å; F465-V483 HydrophobicContact CZ-CG1 4.18Å; F465-V483 HydrophobicContact CZ-CG2 4.39Å; I471-V483 HydrophobicContact CB-CG1 4.06Å; I471-V483 HydrophobicContact CD1-CG1 4.14Å; I471-V483 HydrophobicContact CG2-CG1 4.29Å; Q472-V483 CarbonylContact O-C 3.52Å; Q472-V483 WeakPolarHBondContact O-CA 3.39Å; I473-V483 HydrophobicContact CG1-CG2 4.43Å; V483-L485 HydrophobicContact CG1-CD2 4.33Å |
| 484 | S | 92 | Very high | 89 | Confident | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128 | 174.9 | -152 | 0 | 0 | 0 | 0 | 110.2 | H446 I471 Q472 | H446-S484 PolarHBondContact CD2-OG 3.28Å; H446-S484 PolarHBondContact NE2-OG 2.96Å; I471-S484 VanDerWaalsContact CA-O 3.26Å; I471-S484 WeakPolarHBondContact CA-O 3.17Å; I471-S484 WeakPolarHBondContact CB-O 3.42Å; Q472-S484 PolarHBondContact N-O 2.94Å; Q472-S484 PolarHBondContact O-N 2.94Å |
| 485 | L | 91.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.7 | 172.8 | -58.3 | -170.7 | 0 | 0 | 0 | 111.4 | H446 L448 F465 F468 I471 V483 Q487 Q490 V491 A494 | H446-L485 PolarHBondContact O-N 2.94Å; L448-L485 HydrophobicContact CD1-CD1 3.84Å; L448-L485 HydrophobicContact CD1-CD2 4.34Å; L448-L485 HydrophobicContact CD1-CG 4.03Å; F465-L485 HydrophobicContact CD1-CD2 3.71Å; F465-L485 HydrophobicContact CE1-CD2 4.13Å; F468-L485 HydrophobicContact CB-CD2 4.08Å; I471-L485 HydrophobicContact CG2-CD2 3.93Å; V483-L485 HydrophobicContact CG1-CD2 4.33Å; L485-Q487 PolarHBondContact O-N 3.42Å; L485-Q490 HydrophobicContact CD1-CB 4.23Å; L485-V491 HydrophobicContact CD1-CG2 4.1Å; L485-A494 HydrophobicContact CD1-CB 4.31Å |
| 486 | S | 86.4 | Confident | 89.2 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 56% | 0.559 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -68.6 | -17.6 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 114.2 | N470 | N470-S486 PolarHBondContact O-OG 3.04Š|
| 487 | Q | 84.7 | Confident | 89.1 | Confident | 98 Ų | 98 | 51.8 Ų | 51.8 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | trans | -131.9 | 111.5 | -178.6 | -72 | -171.9 | -3 | 0 | 0 | 110.5 | L485 E489 Q490 | L485-Q487 PolarHBondContact O-N 3.42Å; Q487-E489 PolarHBondContact O-N 3.15Å; Q487-Q490 HydrophobicContact CB-CG 3.84Å; Q487-Q490 WeakPolarHBondContact O-CB 3.49Å; Q487-Q490 PolarHBondContact O-N 3.07Å; Q487-Q490 VanDerWaalsContact O-N 3.14Å | ||
| 488 | P | 83.3 | Confident | 89.2 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -58.5 | -28.2 | -178.2 | -22.8 | 31.6 | 0 | 0 | 0 | 114.1 | H446 Q490 V491 | H446-P488 HydrophobicContact CB-CB 4.22Å; H446-P488 HydrophobicContact CB-CG 4.09Å; P488-Q490 PolarHBondContact O-N 3.33Å; P488-V491 WeakPolarHBondContact O-CB 3.37Å; P488-V491 WeakPolarHBondContact O-CG2 3.46Å; P488-V491 PolarHBondContact O-N 3.37Å |
| 489 | E | 86.5 | Confident | 88.9 | Confident | 137 Ų | 137 | 52.3 Ų | 52.3 | 64% | 0.64 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.1 | -28.7 | -179.4 | -57.4 | 73.4 | -160.1 | 0 | 0 | 112 | Q487 V491 | Q487-E489 PolarHBondContact O-N 3.15Å; E489-V491 VanDerWaalsContact C-N 3.35Å |
| 490 | Q | 88.3 | Confident | 88.4 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -79.6 | -15.5 | -175.6 | -60 | -174.5 | -6 | 0 | 0 | 113.5 | F468 L485 Q487 P488 K492 I493 A494 | F468-Q490 VanDerWaalsContact CA-OE1 3.24Å; F468-Q490 VanDerWaalsContact CB-OE1 3.28Å; F468-Q490 HydrophobicContact CD1-CB 3.81Å; F468-Q490 HydrophobicContact CD1-CG 4.38Å; F468-Q490 HydrophobicContact CE1-CB 4.32Å; F468-Q490 PolarHBondContact O-OE1 3.48Å; L485-Q490 HydrophobicContact CD1-CB 4.23Å; Q487-Q490 HydrophobicContact CB-CG 3.84Å; Q487-Q490 WeakPolarHBondContact O-CB 3.49Å; Q487-Q490 PolarHBondContact O-N 3.07Å; Q487-Q490 VanDerWaalsContact O-N 3.14Å; P488-Q490 PolarHBondContact O-N 3.33Å; Q490-K492 VanDerWaalsContact C-N 3.29Å; Q490-K492 PolarHBondContact O-N 2.91Å; Q490-I493 WeakPolarHBondContact O-CA 3.33Å; Q490-I493 WeakPolarHBondContact O-CB 3.26Å; Q490-I493 PolarHBondContact O-N 3.35Å; Q490-A494 PolarHBondContact O-N 2.93Å |
| 491 | V | 89.4 | Confident | 87.9 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.1 | -46.2 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | D445 L448 L485 P488 E489 I493 A494 V495 T508 | D445-V491 WeakPolarHBondContact O-CG2 3.46Å; L448-V491 HydrophobicContact CD2-CG1 3.75Å; L485-V491 HydrophobicContact CD1-CG2 4.1Å; P488-V491 WeakPolarHBondContact O-CB 3.37Å; P488-V491 WeakPolarHBondContact O-CG2 3.46Å; P488-V491 PolarHBondContact O-N 3.37Å; E489-V491 VanDerWaalsContact C-N 3.35Å; V491-I493 VanDerWaalsContact C-N 3.26Å; V491-I493 PolarHBondContact O-N 2.98Å; V491-A494 PolarHBondContact O-N 3.36Å; V491-V495 WeakPolarHBondContact O-CG2 3.32Å; V491-V495 PolarHBondContact O-N 2.89Å; V491-T508 HydrophobicContact CG1-CG2 4.15Å |
| 492 | K | 88.9 | Confident | 87.5 | Confident | 164 Ų | 164 | 70.4 Ų | 70.4 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64 | -31.6 | 178.5 | -69 | 179 | -179.8 | 172.7 | 0 | 112.4 | Q490 N496 | Q490-K492 VanDerWaalsContact C-N 3.29Å; Q490-K492 PolarHBondContact O-N 2.91Å; K492-N496 WeakPolarHBondContact O-CB 3.13Å; K492-N496 VanDerWaalsContact O-CG 3.27Å; K492-N496 PolarHBondContact O-N 3.47Å; K492-N496 PolarHBondContact O-ND2 3.1Å |
| 493 | I | 89.3 | Confident | 87.3 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.2 | -51.8 | 177.4 | -54.4 | 176.4 | 0 | 0 | 0 | 108.7 | F468 Q490 V491 V495 N496 T497 | F468-I493 HydrophobicContact CE1-CB 4.11Å; F468-I493 HydrophobicContact CE1-CG2 4Å; F468-I493 HydrophobicContact CZ-CG2 4.29Å; Q490-I493 WeakPolarHBondContact O-CA 3.33Å; Q490-I493 WeakPolarHBondContact O-CB 3.26Å; Q490-I493 PolarHBondContact O-N 3.35Å; V491-I493 VanDerWaalsContact C-N 3.26Å; V491-I493 PolarHBondContact O-N 2.98Å; I493-V495 PolarHBondContact O-N 2.99Å; I493-N496 PolarHBondContact O-N 3.21Å; I493-N496 VanDerWaalsContact O-N 3.14Å; I493-T497 PolarHBondContact O-N 3.19Å; I493-T497 PolarHBondContact O-OG1 3.37Å; I493-T497 VanDerWaalsContact O-OG1 3.08Å |
| 494 | A | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L448 F465 F468 L485 Q490 V491 N496 T497 S498 | L448-A494 HydrophobicContact CD1-CB 3.7Å; F465-A494 HydrophobicContact CE1-CB 4.07Å; F468-A494 HydrophobicContact CE1-CB 4.31Å; F468-A494 HydrophobicContact CE2-CB 3.92Å; F468-A494 HydrophobicContact CZ-CB 3.76Å; L485-A494 HydrophobicContact CD1-CB 4.31Å; Q490-A494 PolarHBondContact O-N 2.93Å; V491-A494 PolarHBondContact O-N 3.36Å; A494-N496 PolarHBondContact O-N 2.99Å; A494-T497 PolarHBondContact O-N 3.42Å; A494-S498 PolarHBondContact O-N 3.23Å |
| 495 | V | 90.6 | Very high | 87.4 | Confident | 22 Ų | 22 | 82.8 Ų | 82.8 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L448 V491 I493 S498 I506 T508 | L448-V495 HydrophobicContact CD2-CG2 3.62Å; V491-V495 WeakPolarHBondContact O-CG2 3.32Å; V491-V495 PolarHBondContact O-N 2.89Å; I493-V495 PolarHBondContact O-N 2.99Å; V495-S498 PolarHBondContact O-N 3Å; V495-S498 PolarHBondContact O-OG 2.87Å; V495-I506 HydrophobicContact CG2-CG2 3.99Å; V495-T508 HydrophobicContact CG2-CG2 3.99Å |
| 496 | N | 88.5 | Confident | 87.6 | Confident | 77 Ų | 77 | 83 Ų | 83 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 179 | -79.2 | -40.1 | 0 | 0 | 0 | 112.9 | K492 I493 A494 S498 K499 | K492-N496 WeakPolarHBondContact O-CB 3.13Å; K492-N496 VanDerWaalsContact O-CG 3.27Å; K492-N496 PolarHBondContact O-N 3.47Å; K492-N496 PolarHBondContact O-ND2 3.1Å; I493-N496 PolarHBondContact O-N 3.21Å; I493-N496 VanDerWaalsContact O-N 3.14Å; A494-N496 PolarHBondContact O-N 2.99Å; N496-S498 VanDerWaalsContact C-N 3.27Å; N496-S498 PolarHBondContact O-N 3.03Å; N496-K499 WeakPolarHBondContact O-CB 3.45Å; N496-K499 PolarHBondContact O-N 3.32Å; N496-K499 WeakPolarHBondContact OD1-CE 3.22Å; N496-K499 PolarHBondContact OD1-NZ 2.94Å |
| 497 | T | 84.1 | Confident | 87.9 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 175.1 | -59 | 0 | 0 | 0 | 0 | 111.4 | I493 A494 K499 Y500 | I493-T497 PolarHBondContact O-N 3.19Å; I493-T497 PolarHBondContact O-OG1 3.37Å; I493-T497 VanDerWaalsContact O-OG1 3.08Å; A494-T497 PolarHBondContact O-N 3.42Å; T497-K499 PolarHBondContact O-N 2.86Å; T497-K499 VanDerWaalsContact O-N 3.17Å; T497-Y500 PolarHBondContact O-N 3.21Å |
| 498 | S | 87.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.4 | -15.8 | 179.9 | 79.1 | 0 | 0 | 0 | 0 | 115.1 | A494 V495 N496 Y500 A501 I506 | A494-S498 PolarHBondContact O-N 3.23Å; V495-S498 PolarHBondContact O-N 3Å; V495-S498 PolarHBondContact O-OG 2.87Å; N496-S498 VanDerWaalsContact C-N 3.27Å; N496-S498 PolarHBondContact O-N 3.03Å; S498-Y500 PolarHBondContact O-N 2.81Å; S498-Y500 VanDerWaalsContact O-N 3.15Å; S498-A501 PolarHBondContact O-N 2.85Å; S498-A501 VanDerWaalsContact O-N 3.09Å; S498-I506 PolarHBondContact OG-N 2.69Å; S498-I506 PolarHBondContact OG-O 2.69Å |
| 499 | K | 82.6 | Confident | 88.6 | Confident | 146 Ų | 146 | 75.4 Ų | 75.4 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.7 | 178.1 | -67.4 | 176.7 | 174.1 | 169.3 | 0 | 113.5 | N496 T497 | N496-K499 WeakPolarHBondContact O-CB 3.45Å; N496-K499 PolarHBondContact O-N 3.32Å; N496-K499 WeakPolarHBondContact OD1-CE 3.22Å; N496-K499 PolarHBondContact OD1-NZ 2.94Å; T497-K499 PolarHBondContact O-N 2.86Å; T497-K499 VanDerWaalsContact O-N 3.17Å |
| 500 | Y | 81.1 | Confident | 88.7 | Confident | 209 Ų | 209 | 72.1 Ų | 72.1 | 82% | 0.82 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 5.1 | 179.5 | -54.3 | -80.4 | 0 | 0 | 0 | 112.7 | T497 S498 | T497-Y500 PolarHBondContact O-N 3.21Å; S498-Y500 PolarHBondContact O-N 2.81Å; S498-Y500 VanDerWaalsContact O-N 3.15Å |
| 501 | A | 84.6 | Confident | 88.8 | Confident | 28 Ų | 28 | 75 Ų | 75 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | trans | -99.7 | 135.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | S498 Y504 | S498-A501 PolarHBondContact O-N 2.85Å; S498-A501 VanDerWaalsContact O-N 3.09Å; A501-Y504 HydrophobicContact CB-CD1 3.82Å; A501-Y504 HydrophobicContact CB-CD2 4.3Å; A501-Y504 HydrophobicContact CB-CE1 3.39Å; A501-Y504 HydrophobicContact CB-CE2 3.9Å; A501-Y504 HydrophobicContact CB-CG 4.25Å; A501-Y504 VanDerWaalsContact CB-CZ 3.41Å | ||
| 502 | E | 83.9 | Confident | 88.8 | Confident | 201 Ų | 201 | 76.3 Ų | 76.3 | 94% | 0.939 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -92.7 | -30.8 | 175.4 | -63 | -175.3 | 164.3 | 0 | 0 | 112.4 | ||
| 503 | S | 88.3 | Confident | 88.7 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -86.2 | -22.4 | -172.3 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | P453 | P453-S503 VanDerWaalsContact CD-O 3.24Å; P453-S503 WeakPolarHBondContact CD-O 3.2Å; P453-S503 WeakPolarHBondContact CG-O 3.48Å |
| 504 | Y | 93.2 | Very high | 88.5 | Confident | 38 Ų | 38 | 67 Ų | 67 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | trans | -141.4 | 160.1 | -178.6 | 69.6 | -91.5 | 0 | 0 | 0 | 111.4 | T451 W456 L464 A501 I506 | T451-Y504 CarbonylContact O-C 3.58Å; T451-Y504 WeakPolarHBondContact O-CA 3.47Å; T451-Y504 VanDerWaalsContact O-CB 3.31Å; T451-Y504 WeakPolarHBondContact O-CB 3.49Å; W456-Y504 AromaticContact CH2-CD1 3.7Å; W456-Y504 HydrophobicContact CH2-CD1 3.7Å; W456-Y504 HydrophobicContact CH2-CE1 4.48Å; W456-Y504 HydrophobicContact CH2-CG 4Å; W456-Y504 HydrophobicContact CZ2-CD1 4.21Å; L464-Y504 HydrophobicContact CD1-CE1 3.85Å; L464-Y504 HydrophobicContact CD1-CE2 3.8Å; L464-Y504 VanDerWaalsContact CD1-CZ 3.42Å; L464-Y504 WeakPolarHBondContact CD1-OH 3.45Å; L464-Y504 HydrophobicContact CD2-CD2 3.95Å; L464-Y504 HydrophobicContact CD2-CE2 3.97Å; L464-Y504 HydrophobicContact CD2-CG 4.29Å; A501-Y504 HydrophobicContact CB-CD1 3.82Å; A501-Y504 HydrophobicContact CB-CD2 4.3Å; A501-Y504 HydrophobicContact CB-CE1 3.39Å; A501-Y504 HydrophobicContact CB-CE2 3.9Å; A501-Y504 HydrophobicContact CB-CG 4.25Å; A501-Y504 VanDerWaalsContact CB-CZ 3.41Å; Y504-I506 HydrophobicContact CD2-CD1 4.31Å; Y504-I506 HydrophobicContact CD2-CG1 3.99Å; Y504-I506 HydrophobicContact CE2-CD1 3.83Å; Y504-I506 HydrophobicContact CE2-CG1 3.98Å | ||
| 505 | R | 93.6 | Very high | 88.4 | Confident | 170 Ų | 170 | 71.9 Ų | 71.9 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.1 | 176.4 | -177.2 | 173.3 | -67.3 | -125.8 | -1.4 | 110.5 | V450 T451 | V450-R505 WeakPolarHBondContact CA-O 3.38Å; T451-R505 PolarHBondContact N-O 3.5Å; T451-R505 PolarHBondContact O-N 3.35Å |
| 506 | I | 94.7 | Very high | 88 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129 | 172.8 | -57 | 174.2 | 0 | 0 | 0 | 108 | L448 V450 L464 F465 V495 S498 Y504 | L448-I506 HydrophobicContact CB-CG2 4.07Å; L448-I506 HydrophobicContact CD1-CG2 3.87Å; L448-I506 HydrophobicContact CD2-CG2 3.8Å; L448-I506 HydrophobicContact CG-CG2 4.13Å; V450-I506 HydrophobicContact CG1-CG1 4.12Å; V450-I506 HydrophobicContact CG2-CG1 4.32Å; L464-I506 HydrophobicContact CD2-CD1 4.5Å; F465-I506 HydrophobicContact CE1-CD1 4Å; F465-I506 HydrophobicContact CE2-CD1 4.39Å; F465-I506 HydrophobicContact CZ-CD1 3.57Å; F465-I506 HydrophobicContact CZ-CG1 4.18Å; V495-I506 HydrophobicContact CG2-CG2 3.99Å; S498-I506 PolarHBondContact OG-N 2.69Å; S498-I506 PolarHBondContact OG-O 2.69Å; Y504-I506 HydrophobicContact CD2-CD1 4.31Å; Y504-I506 HydrophobicContact CD2-CG1 3.99Å; Y504-I506 HydrophobicContact CE2-CD1 3.83Å; Y504-I506 HydrophobicContact CE2-CG1 3.98Å |
| 507 | Q | 93.4 | Very high | 87.5 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.2 | 169.2 | 65.5 | -170.8 | -11 | 0 | 0 | 109.6 | H449 | H449-Q507 HydrophobicContact CB-CG 3.93Å; H449-Q507 PolarHBondContact N-O 3.17Å; H449-Q507 PolarHBondContact ND1-NE2 3.08Å; H449-Q507 PolarHBondContact O-N 2.83Å |
| 508 | T | 93 | Very high | 87.2 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 154.4 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | V491 V495 A510 E511 Y512 | V491-T508 HydrophobicContact CG1-CG2 4.15Å; V495-T508 HydrophobicContact CG2-CG2 3.99Å; T508-A510 PolarHBondContact O-N 3.34Å; T508-E511 WeakPolarHBondContact CB-OE2 3.03Å; T508-E511 WeakPolarHBondContact CG2-OE2 3.29Å; T508-E511 PolarHBondContact N-OE2 2.86Å; T508-E511 PolarHBondContact O-N 3.14Å; T508-E511 WeakPolarHBondContact OG1-CB 3.37Å; T508-E511 WeakPolarHBondContact OG1-CG 3.44Å; T508-E511 PolarHBondContact OG1-N 3.24Å; T508-E511 PolarHBondContact OG1-OE2 2.85Å; T508-Y512 PolarHBondContact O-N 3.22Å; T508-Y512 VanDerWaalsContact O-N 3.08Å |
| 509 | Y | 89.8 | Confident | 86.7 | Confident | 26 Ų | 26 | 82.7 Ų | 82.7 | 10% | 0.102 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.2 | -39.6 | 172.6 | -177.7 | -98.5 | 0 | 0 | 0 | 112 | R444 V447 F482 Y512 M513 | R444-Y509 HydrophobicContact CB-CD1 3.6Å; R444-Y509 HydrophobicContact CB-CE1 3.96Å; R444-Y509 HydrophobicContact CB-CG 4.07Å; R444-Y509 HydrophobicContact CG-CD1 4.47Å; R444-Y509 HydrophobicContact CG-CE1 4.38Å; R444-Y509 PolarHBondContact NH1-OH 3.27Å; V447-Y509 HydrophobicContact CB-CG 4.41Å; V447-Y509 HydrophobicContact CG1-CD2 4.15Å; V447-Y509 HydrophobicContact CG1-CG 4.48Å; V447-Y509 VanDerWaalsContact O-CB 3.29Å; V447-Y509 WeakPolarHBondContact O-CB 3.38Å; V447-Y509 PolarHBondContact O-N 2.74Å; F482-Y509 AromaticContact CD1-CD2 3.99Å; F482-Y509 HydrophobicContact CD1-CD2 3.99Å; F482-Y509 HydrophobicContact CD1-CE2 4.37Å; F482-Y509 AromaticContact CE1-CD2 3.6Å; F482-Y509 HydrophobicContact CE1-CD2 3.6Å; F482-Y509 AromaticContact CE1-CE2 3.76Å; F482-Y509 HydrophobicContact CE1-CE2 3.76Å; F482-Y509 HydrophobicContact CE2-CE2 4.48Å; F482-Y509 HydrophobicContact CZ-CD2 4.17Å; F482-Y509 AromaticContact CZ-CE2 3.82Å; F482-Y509 HydrophobicContact CZ-CE2 3.82Å; Y509-Y512 PolarHBondContact O-N 3.3Å; Y509-M513 HydrophobicContact CD1-CG 3.96Å; Y509-M513 HydrophobicContact CD2-CG 4.36Å; Y509-M513 HydrophobicContact CE1-CG 3.52Å; Y509-M513 HydrophobicContact CE1-SD 4.43Å; Y509-M513 HydrophobicContact CE2-CG 3.96Å; Y509-M513 HydrophobicContact CE2-SD 4.14Å; Y509-M513 HydrophobicContact CG-CG 4.35Å; Y509-M513 WeakPolarHBondContact O-CB 3.37Å; Y509-M513 VanDerWaalsContact O-CG 3.32Å; Y509-M513 WeakPolarHBondContact O-CG 3.33Å; Y509-M513 PolarHBondContact O-N 2.91Å |
| 510 | A | 88.5 | Confident | 86.2 | Confident | 69 Ų | 69 | 81.4 Ų | 81.4 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T508 Y512 M513 G514 | T508-A510 PolarHBondContact O-N 3.34Å; A510-Y512 VanDerWaalsContact C-N 3.34Å; A510-Y512 PolarHBondContact O-N 3.27Å; A510-M513 PolarHBondContact O-N 3.01Å; A510-G514 PolarHBondContact O-N 3.23Å |
| 511 | E | 90.3 | Very high | 85.7 | Confident | 97 Ų | 97 | 77.8 Ų | 77.8 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 176.4 | -71.9 | 162.1 | 136.5 | 0 | 0 | 112.4 | T508 K515 | T508-E511 WeakPolarHBondContact CB-OE2 3.03Å; T508-E511 WeakPolarHBondContact CG2-OE2 3.29Å; T508-E511 PolarHBondContact N-OE2 2.86Å; T508-E511 PolarHBondContact O-N 3.14Å; T508-E511 WeakPolarHBondContact OG1-CB 3.37Å; T508-E511 WeakPolarHBondContact OG1-CG 3.44Å; T508-E511 PolarHBondContact OG1-N 3.24Å; T508-E511 PolarHBondContact OG1-OE2 2.85Å; E511-K515 WeakPolarHBondContact O-CG 3.2Å; E511-K515 PolarHBondContact O-N 3.17Å |
| 512 | Y | 89.2 | Confident | 84.9 | Confident | 37 Ų | 37 | 80.8 Ų | 80.8 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 175 | 168.7 | -97.7 | 0 | 0 | 0 | 111.6 | H449 F482 T508 Y509 A510 G514 K515 K516 | H449-Y512 HydrophobicContact CB-CD2 4.27Å; H449-Y512 HydrophobicContact CB-CG 4.06Å; H449-Y512 AromaticContact CD2-CD2 3.22Å; H449-Y512 WeakPolarHBondContact CD2-CD2 3.44Å; H449-Y512 AromaticContact CD2-CE2 3.32Å; H449-Y512 WeakPolarHBondContact CD2-CE2 3.33Å; H449-Y512 AromaticContact CD2-CG 3.69Å; H449-Y512 AromaticContact CD2-CZ 3.9Å; H449-Y512 AromaticContact CE1-CD2 3.95Å; H449-Y512 AromaticContact CG-CD2 3.62Å; H449-Y512 AromaticContact CG-CG 3.91Å; H449-Y512 AromaticContact NE2-CD2 3.45Å; H449-Y512 WeakPolarHBondContact NE2-CD2 3.43Å; H449-Y512 AromaticContact NE2-CE2 3.26Å; H449-Y512 VanDerWaalsContact NE2-CE2 3.26Å; H449-Y512 WeakPolarHBondContact NE2-CE2 3.44Å; F482-Y512 AromaticContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CD1 3.89Å; F482-Y512 AromaticContact CE1-CE1 3.95Å; F482-Y512 HydrophobicContact CE1-CE1 3.95Å; F482-Y512 HydrophobicContact CZ-CD1 4.06Å; F482-Y512 AromaticContact CZ-CE1 3.66Å; F482-Y512 HydrophobicContact CZ-CE1 3.66Å; T508-Y512 PolarHBondContact O-N 3.22Å; T508-Y512 VanDerWaalsContact O-N 3.08Å; Y509-Y512 PolarHBondContact O-N 3.3Å; A510-Y512 VanDerWaalsContact C-N 3.34Å; A510-Y512 PolarHBondContact O-N 3.27Å; Y512-G514 PolarHBondContact O-N 3Å; Y512-K515 PolarHBondContact O-N 3.44Å; Y512-K516 HydrophobicContact CE1-CD 3.86Å; Y512-K516 WeakPolarHBondContact O-CB 3.31Å; Y512-K516 PolarHBondContact O-N 2.83Å; Y512-K516 PolarHBondContact OH-NZ 3.02Å |
| 513 | M | 86.1 | Confident | 84.1 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.9 | -36.2 | -178.8 | -69.1 | -59.5 | -77.4 | 0 | 0 | 112.4 | T49 Y509 A510 K516 Q517 | T49-M513 HydrophobicContact CG2-CE 4.26Å; Y509-M513 HydrophobicContact CD1-CG 3.96Å; Y509-M513 HydrophobicContact CD2-CG 4.36Å; Y509-M513 HydrophobicContact CE1-CG 3.52Å; Y509-M513 HydrophobicContact CE1-SD 4.43Å; Y509-M513 HydrophobicContact CE2-CG 3.96Å; Y509-M513 HydrophobicContact CE2-SD 4.14Å; Y509-M513 HydrophobicContact CG-CG 4.35Å; Y509-M513 WeakPolarHBondContact O-CB 3.37Å; Y509-M513 VanDerWaalsContact O-CG 3.32Å; Y509-M513 WeakPolarHBondContact O-CG 3.33Å; Y509-M513 PolarHBondContact O-N 2.91Å; A510-M513 PolarHBondContact O-N 3.01Å; M513-K516 PolarHBondContact O-N 3.31Å; M513-K516 HydrophobicContact SD-CD 4.17Å; M513-Q517 WeakPolarHBondContact O-CG 3.31Å; M513-Q517 PolarHBondContact O-N 3.46Å |
| 514 | G | 86.5 | Confident | 82.9 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.8 | -54.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A510 Y512 K516 Q517 E518 | A510-G514 PolarHBondContact O-N 3.23Å; Y512-G514 PolarHBondContact O-N 3Å; G514-K516 VanDerWaalsContact C-N 3.31Å; G514-K516 PolarHBondContact O-N 2.93Å; G514-Q517 PolarHBondContact O-N 2.85Å; G514-Q517 VanDerWaalsContact O-N 3.1Å; G514-E518 PolarHBondContact O-N 2.84Å |
| 515 | K | 86.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 176 | -68.1 | 170.3 | -171.9 | 172.5 | 0 | 112.2 | E511 Y512 Q517 E518 E519 | E511-K515 WeakPolarHBondContact O-CG 3.2Å; E511-K515 PolarHBondContact O-N 3.17Å; Y512-K515 PolarHBondContact O-N 3.44Å; K515-Q517 VanDerWaalsContact C-N 3.29Å; K515-Q517 PolarHBondContact O-N 3.5Å; K515-E518 PolarHBondContact O-N 3.12Å; K515-E519 WeakPolarHBondContact O-CG 3.17Å; K515-E519 PolarHBondContact O-N 3.34Å |
| 516 | K | 82.1 | Confident | 79 | Confident | 53 Ų | 53 | 88.8 Ų | 88.8 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.4 | -34.1 | 178.3 | -167.7 | 178.2 | -169.2 | 173.6 | 0 | 112.5 | E52 Y512 M513 G514 K520 | E52-K516 IonicContact OE1-NZ 3.33Å; E52-K516 PolarHBondContact OE1-NZ 3.34Å; Y512-K516 HydrophobicContact CE1-CD 3.86Å; Y512-K516 WeakPolarHBondContact O-CB 3.31Å; Y512-K516 PolarHBondContact O-N 2.83Å; Y512-K516 PolarHBondContact OH-NZ 3.02Å; M513-K516 PolarHBondContact O-N 3.31Å; M513-K516 HydrophobicContact SD-CD 4.17Å; G514-K516 VanDerWaalsContact C-N 3.31Å; G514-K516 PolarHBondContact O-N 2.93Å; K516-K520 WeakPolarHBondContact O-CG 3.37Å; K516-K520 PolarHBondContact O-N 3.27Å |
| 517 | Q | 78.1 | Confident | 77.1 | Confident | 123 Ų | 123 | 92.4 Ų | 92.4 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -73.2 | -43.4 | 173.3 | -74.1 | -175 | -1.4 | 0 | 0 | 112 | M513 G514 K515 E519 K520 Q521 | M513-Q517 WeakPolarHBondContact O-CG 3.31Å; M513-Q517 PolarHBondContact O-N 3.46Å; G514-Q517 PolarHBondContact O-N 2.85Å; G514-Q517 VanDerWaalsContact O-N 3.1Å; K515-Q517 VanDerWaalsContact C-N 3.29Å; K515-Q517 PolarHBondContact O-N 3.5Å; Q517-E519 PolarHBondContact O-N 3.41Å; Q517-K520 PolarHBondContact O-N 2.97Å; Q517-Q521 WeakPolarHBondContact O-CG 3.44Å; Q517-Q521 PolarHBondContact O-N 3.01Å |
| 518 | E | 78.3 | Confident | 75.1 | Confident | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.9 | -48.2 | 174.8 | -70.4 | 174.7 | 176.3 | 0 | 0 | 111.3 | G514 K515 K520 Q521 I522 | G514-E518 PolarHBondContact O-N 2.84Å; K515-E518 PolarHBondContact O-N 3.12Å; E518-K520 VanDerWaalsContact C-N 3.32Å; E518-K520 PolarHBondContact O-N 2.63Å; E518-Q521 PolarHBondContact O-N 3Å; E518-I522 WeakPolarHBondContact O-CB 3.4Å; E518-I522 VanDerWaalsContact O-CG1 3.24Å; E518-I522 WeakPolarHBondContact O-CG1 3.3Å; E518-I522 PolarHBondContact O-N 2.93Å |
| 519 | E | 77.8 | Confident | 73.3 | Confident | 108 Ų | 108 | 99 Ų | 99 | 51% | 0.505 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.5 | -75.2 | -178.1 | -158.7 | 0 | 0 | 113 | K515 Q517 K523 | K515-E519 WeakPolarHBondContact O-CG 3.17Å; K515-E519 PolarHBondContact O-N 3.34Å; Q517-E519 PolarHBondContact O-N 3.41Å; E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 WeakPolarHBondContact O-CG 3.43Å; E519-K523 PolarHBondContact O-N 3.36Å |
| 520 | K | 72.3 | Confident | 71.2 | Confident | 118 Ų | 118 | 99.5 Ų | 99.5 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174.8 | -82 | -175.8 | 174.9 | -171.8 | 0 | 111.7 | K516 Q517 E518 K523 R524 | K516-K520 WeakPolarHBondContact O-CG 3.37Å; K516-K520 PolarHBondContact O-N 3.27Å; Q517-K520 PolarHBondContact O-N 2.97Å; E518-K520 VanDerWaalsContact C-N 3.32Å; E518-K520 PolarHBondContact O-N 2.63Å; K520-K523 PolarHBondContact O-N 3.47Å; K520-R524 WeakPolarHBondContact O-CG 3.39Å; K520-R524 PolarHBondContact O-N 3.3Å |
| 521 | Q | 68.6 | Low | 69 | Low | 133 Ų | 133 | 105.6 Ų | 105.6 | 62% | 0.621 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 176.9 | -73 | -173.7 | 10.4 | 0 | 0 | 112 | Q517 E518 R524 K525 | Q517-Q521 WeakPolarHBondContact O-CG 3.44Å; Q517-Q521 PolarHBondContact O-N 3.01Å; E518-Q521 PolarHBondContact O-N 3Å; Q521-R524 PolarHBondContact O-N 3.34Å; Q521-K525 PolarHBondContact O-N 3.26Å |
| 522 | I | 69.6 | Low | 66.8 | Low | 92 Ų | 92 | 106.4 Ų | 106.4 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -54.1 | 173.5 | -69.3 | 164.4 | 0 | 0 | 0 | 109 | E518 R524 K525 W526 | E518-I522 WeakPolarHBondContact O-CB 3.4Å; E518-I522 VanDerWaalsContact O-CG1 3.24Å; E518-I522 WeakPolarHBondContact O-CG1 3.3Å; E518-I522 PolarHBondContact O-N 2.93Å; I522-R524 VanDerWaalsContact C-N 3.3Å; I522-R524 PolarHBondContact O-N 3.19Å; I522-K525 WeakPolarHBondContact O-CB 3.36Å; I522-K525 PolarHBondContact O-N 2.92Å; I522-K525 VanDerWaalsContact O-N 3.08Å; I522-W526 VanDerWaalsContact O-CD1 3.24Å; I522-W526 PolarHBondContact O-N 3.39Å |
| 523 | K | 65.9 | Low | 64.7 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.7 | -41.9 | 178 | -76.2 | 169.9 | 179.9 | 164.8 | 0 | 112.7 | E519 K520 W526 T527 | E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 WeakPolarHBondContact O-CG 3.43Å; E519-K523 PolarHBondContact O-N 3.36Å; K520-K523 PolarHBondContact O-N 3.47Å; K523-W526 PolarHBondContact O-N 2.87Å; K523-T527 PolarHBondContact O-N 3.35Å; K523-T527 PolarHBondContact O-OG1 3.28Å; K523-T527 VanDerWaalsContact O-OG1 3.12Å |
| 524 | R | 62.6 | Low | 62.6 | Low | 165 Ų | 165 | 111.3 Ų | 111.3 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 174.7 | -78.2 | -177.7 | 173.3 | -179.2 | -3.6 | 112.6 | K520 Q521 I522 T527 E528 | K520-R524 WeakPolarHBondContact O-CG 3.39Å; K520-R524 PolarHBondContact O-N 3.3Å; Q521-R524 PolarHBondContact O-N 3.34Å; I522-R524 VanDerWaalsContact C-N 3.3Å; I522-R524 PolarHBondContact O-N 3.19Å; R524-T527 WeakPolarHBondContact CA-OG1 3.39Å; R524-T527 PolarHBondContact O-N 2.98Å; R524-T527 PolarHBondContact O-OG1 3.02Å; R524-E528 PolarHBondContact O-N 3.35Å |
| 525 | K | 56.7 | Low | 60.3 | Low | 141 Ų | 141 | 114.6 Ų | 114.6 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.1 | -48.5 | 173.6 | -89.8 | -174.9 | 171.8 | 179.7 | 0 | 112.7 | Q521 I522 T527 E528 D529 | Q521-K525 PolarHBondContact O-N 3.26Å; I522-K525 WeakPolarHBondContact O-CB 3.36Å; I522-K525 PolarHBondContact O-N 2.92Å; I522-K525 VanDerWaalsContact O-N 3.08Å; K525-T527 PolarHBondContact O-N 2.87Å; K525-E528 PolarHBondContact O-N 3.05Å; K525-E528 VanDerWaalsContact O-N 3.14Å; K525-D529 WeakPolarHBondContact O-CB 3.42Å; K525-D529 PolarHBondContact O-N 2.73Å |
| 526 | W | 48.7 | Very low | 58.2 | Low | 203 Ų | 203 | 114.5 Ų | 114.5 | 77% | 0.769 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | 177.8 | -81.3 | 88.2 | 0 | 0 | 0 | 112.1 | I522 K523 G530 | I522-W526 VanDerWaalsContact O-CD1 3.24Å; I522-W526 PolarHBondContact O-N 3.39Å; K523-W526 PolarHBondContact O-N 2.87Å; W526-G530 PolarHBondContact O-N 2.88Å; W526-G530 VanDerWaalsContact O-N 3.15Å |
| 527 | T | 56.2 | Low | 56.4 | Low | 83 Ų | 83 | 119.5 Ų | 119.5 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.7 | -46.1 | 171.7 | 44.3 | 0 | 0 | 0 | 0 | 113 | K523 R524 K525 D529 G530 W531 | K523-T527 PolarHBondContact O-N 3.35Å; K523-T527 PolarHBondContact O-OG1 3.28Å; K523-T527 VanDerWaalsContact O-OG1 3.12Å; R524-T527 WeakPolarHBondContact CA-OG1 3.39Å; R524-T527 PolarHBondContact O-N 2.98Å; R524-T527 PolarHBondContact O-OG1 3.02Å; K525-T527 PolarHBondContact O-N 2.87Å; T527-D529 PolarHBondContact O-N 3.38Å; T527-G530 PolarHBondContact O-N 3.04Å; T527-W531 PolarHBondContact O-N 3.39Å |
| 528 | E | 50.4 | Low | 54.7 | Low | 117 Ų | 117 | 123.8 Ų | 123.8 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.2 | -42.4 | 178.9 | -75.2 | -173.9 | 171.3 | 0 | 0 | 112.8 | R524 K525 W531 K532 | R524-E528 PolarHBondContact O-N 3.35Å; K525-E528 PolarHBondContact O-N 3.05Å; K525-E528 VanDerWaalsContact O-N 3.14Å; E528-W531 PolarHBondContact O-N 2.86Å; E528-K532 WeakPolarHBondContact O-CG 3.47Å; E528-K532 PolarHBondContact O-N 3Å; E528-K532 VanDerWaalsContact O-N 3.11Å |
| 529 | D | 55.1 | Low | 52.6 | Low | 82 Ų | 82 | 124.9 Ų | 124.9 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.5 | -32.7 | -179.1 | -65.8 | -28.6 | 0 | 0 | 0 | 111.4 | K525 T527 W531 K532 E533 | K525-D529 WeakPolarHBondContact O-CB 3.42Å; K525-D529 PolarHBondContact O-N 2.73Å; T527-D529 PolarHBondContact O-N 3.38Å; D529-W531 VanDerWaalsContact C-N 3.3Å; D529-W531 PolarHBondContact O-N 2.86Å; D529-K532 PolarHBondContact O-N 2.74Å; D529-K532 IonicContact OD1-NZ 2.75Å; D529-K532 PolarHBondContact OD1-NZ 2.89Å; D529-E533 PolarHBondContact O-N 3.41Å |
| 530 | G | 45.6 | Very low | 50.3 | Low | 38 Ų | 38 | 127.2 Ų | 127.2 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.1 | -30.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W526 T527 A534 | W526-G530 PolarHBondContact O-N 2.88Å; W526-G530 VanDerWaalsContact O-N 3.15Å; T527-G530 PolarHBondContact O-N 3.04Å; G530-A534 PolarHBondContact O-N 3.36Å |
| 531 | W | 42.5 | Very low | 48.7 | Very low | 197 Ų | 197 | 126.8 Ų | 126.8 | 75% | 0.746 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76 | -40.9 | 172.4 | -77.7 | 60.5 | 0 | 0 | 0 | 111.7 | T527 E528 D529 E533 A534 D535 | T527-W531 PolarHBondContact O-N 3.39Å; E528-W531 PolarHBondContact O-N 2.86Å; D529-W531 VanDerWaalsContact C-N 3.3Å; D529-W531 PolarHBondContact O-N 2.86Å; W531-E533 VanDerWaalsContact C-N 3.27Å; W531-E533 PolarHBondContact O-N 2.8Å; W531-A534 WeakPolarHBondContact O-CB 3.24Å; W531-A534 PolarHBondContact O-N 3.07Å; W531-A534 VanDerWaalsContact O-N 3.08Å; W531-D535 PolarHBondContact O-N 3.14Å |
| 532 | K | 43.8 | Very low | 46.8 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.6 | -34.2 | 174.8 | -66.5 | 171.2 | -160.8 | 150.1 | 0 | 113 | E528 D529 A534 S536 | E528-K532 WeakPolarHBondContact O-CG 3.47Å; E528-K532 PolarHBondContact O-N 3Å; E528-K532 VanDerWaalsContact O-N 3.11Å; D529-K532 PolarHBondContact O-N 2.74Å; D529-K532 IonicContact OD1-NZ 2.75Å; D529-K532 PolarHBondContact OD1-NZ 2.89Å; K532-A534 VanDerWaalsContact C-N 3.33Å; K532-S536 WeakPolarHBondContact O-CB 3.17Å; K532-S536 PolarHBondContact O-N 2.89Å; K532-S536 PolarHBondContact O-OG 3.17Å |
| 533 | E | 45 | Very low | 44.6 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.3 | -23.8 | 176.2 | -157.3 | -178.8 | -166.9 | 0 | 0 | 112.8 | D529 W531 | D529-E533 PolarHBondContact O-N 3.41Å; W531-E533 VanDerWaalsContact C-N 3.27Å; W531-E533 PolarHBondContact O-N 2.8Å |
| 534 | A | 42.6 | Very low | 42.6 | Very low | 53 Ų | 53 | 131.1 Ų | 131.1 | 44% | 0.438 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.4 | -41.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | G530 W531 K532 K537 | G530-A534 PolarHBondContact O-N 3.36Å; W531-A534 WeakPolarHBondContact O-CB 3.24Å; W531-A534 PolarHBondContact O-N 3.07Å; W531-A534 VanDerWaalsContact O-N 3.08Å; K532-A534 VanDerWaalsContact C-N 3.33Å; A534-K537 PolarHBondContact O-N 3.17Å |
| 535 | D | 39.1 | Very low | 41.2 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.1 | -36.9 | 178.5 | -83.1 | -27.8 | 0 | 0 | 0 | 112.9 | W531 K537 R538 | W531-D535 PolarHBondContact O-N 3.14Å; D535-K537 PolarHBondContact O-N 3.08Å; D535-R538 PolarHBondContact O-N 2.81Å |
| 536 | S | 41.8 | Very low | 39.9 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -16.4 | 174.3 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | K532 | K532-S536 WeakPolarHBondContact O-CB 3.17Å; K532-S536 PolarHBondContact O-N 2.89Å; K532-S536 PolarHBondContact O-OG 3.17Å |
| 537 | K | 43.5 | Very low | 38.8 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 0.6 | 175.4 | -69.4 | 170.4 | -176 | 154.9 | 0 | 113.6 | A534 D535 | A534-K537 PolarHBondContact O-N 3.17Å; D535-K537 PolarHBondContact O-N 3.08Å |
| 538 | R | 42.5 | Very low | 37.6 | Very low | 212 Ų | 212 | 131 Ų | 131 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -5.1 | -179 | -75.5 | -173.1 | 171.9 | -169.3 | -0.4 | 115.6 | D535 | D535-R538 PolarHBondContact O-N 2.81Š|
| 539 | L | 34.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -110 | 84.8 | -178.3 | -71.4 | 170.6 | 0 | 0 | 0 | 112.4 | ||||
| 540 | N | 29.2 | Very low | 35 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | trans | -150 | 88.2 | 159.6 | -150.8 | 5.2 | 0 | 0 | 0 | 111.6 | ||||
| 541 | P | 38.3 | Very low | 34.1 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -97.9 | 123.2 | -177.6 | 34.4 | -28.8 | 0 | 0 | 0 | 112.7 | ||||
| 542 | Q | 28.9 | Very low | 33.2 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | trans | -132.3 | 152.2 | 156.5 | -74.8 | -168.4 | -13.8 | 0 | 0 | 110.1 | ||||
| 543 | C | 24.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 72% | 0.716 | 74% | 0.742 | S | S | * | * | trans | -112.5 | 141.4 | -145.9 | -83.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 544 | I | 24.3 | Very low | 31.2 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 71.5 | 153.3 | 135.2 | -63.8 | 170 | 0 | 0 | 0 | 116.6 | ||||
| 545 | P | 32.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -124.7 | 172.3 | -2.2 | 21.8 | 1.9 | 0 | 0 | 0 | 117.3 | ||||
| 546 | Y | 30 | Very low | 29.6 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -18.4 | 139.5 | 157.2 | -84.7 | -99 | 0 | 0 | 0 | 120.5 | ||||
| 547 | A | 24.5 | Very low | 28.9 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -153.7 | 139.9 | 138.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 548 | L | 31 | Very low | 27.9 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -74.2 | 147.5 | 165.2 | -88.4 | 76.1 | 0 | 0 | 0 | 110 | ||||
| 549 | Q | 26.5 | Very low | 27.1 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | -161.8 | 137.5 | 129.2 | -113 | 165.1 | 16.5 | 0 | 0 | 113.9 | |||||
| 550 | N | 24.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -71 | 151.9 | 164.9 | -65.6 | -32.4 | 0 | 0 | 0 | 110.2 | ||||
| 551 | H | 26.4 | Very low | 26.7 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | 151.2 | 143 | 107.9 | -91.8 | -59.9 | 0 | 0 | 0 | 116.8 | |||||
| 552 | Y | 24 | Very low | 26.2 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 66.7 | 129.7 | 146.6 | -67 | -56.1 | 0 | 0 | 0 | 123.3 | ||||
| 553 | Y | 24.7 | Very low | 26.1 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | trans | -41.5 | 157.9 | 149.4 | -70.9 | -100 | 0 | 0 | 0 | 112.1 | ||||
| 554 | R | 22.4 | Very low | 26.2 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | 174.9 | 148.1 | 58.4 | -157.6 | -166.9 | -172.9 | 177.9 | 4.7 | 111.1 | |||||
| 555 | N | 23.9 | Very low | 26.2 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | 57.1 | 154.3 | 153.7 | -74.1 | 15.5 | 0 | 0 | 0 | 118.5 | ||||
| 556 | N | 24.1 | Very low | 26 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -163.9 | 172.2 | 13.7 | -121.4 | 21.7 | 0 | 0 | 0 | 107 | ||||
| 557 | S | 26.1 | Very low | 25.7 | Very low | 66 Ų | 66 | 146.2 Ų | 146.2 | 46% | 0.462 | 77% | 0.77 | S | S | . | * | cis | 175.1 | 156.8 | -20.1 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 558 | F | 23.8 | Very low | 25.8 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 78.1 | 149.9 | 165 | -53.4 | -65 | 0 | 0 | 0 | 118 | ||||
| 559 | T | 25.5 | Very low | 25.5 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | cis | -131.4 | 161.7 | 13.8 | 35 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 560 | A | 23.3 | Very low | 25.5 | Very low | 88 Ų | 88 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -102.6 | -179 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 561 | P | 31.8 | Very low | 26.4 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | -134.3 | 143.1 | 67.1 | 16.7 | 7.9 | 0 | 0 | 0 | 114.6 | |||||
| 562 | S | 26.2 | Very low | 26.2 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | 72.5 | 128.4 | 87.3 | 103.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 563 | T | 26.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 143 Ų | 143 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | -144.5 | 165.3 | 66.3 | 28.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 564 | V | 27.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -135.3 | 147.8 | -162.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | K566 | V564-K566 HydrophobicContact CG1-CG 4.43Š| ||
| 565 | G | 25 | Very low | 26.6 | Very low | 83 Ų | 83 | 138.9 Ų | 138.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -154.9 | 65.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 566 | K | 27.1 | Very low | 26.7 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -79.6 | 155.3 | 174.1 | -67.1 | -179.1 | 175.9 | -179 | 0 | 112 | V564 | V564-K566 HydrophobicContact CG1-CG 4.43Š| ||
| 567 | R | 24.8 | Very low | 26.7 | Very low | 247 Ų | 247 | 134.6 Ų | 134.6 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | -172.5 | 136.9 | 118.2 | -100.9 | 167.6 | -142.9 | 176.8 | 5.7 | 113.2 | |||||
| 568 | N | 27 | Very low | 26.8 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 158.5 | 153.2 | -74.9 | -16.5 | 0 | 0 | 0 | 108.3 | ||||
| 569 | L | 23.4 | Very low | 27 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | 160.9 | 134.9 | 128.7 | -85 | 159.5 | 0 | 0 | 0 | 111.6 | |||||
| 570 | S | 28.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -87.3 | -163.9 | 168.8 | -34.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 571 | P | 42.7 | Very low | 27.2 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -133.2 | -174.6 | -21.2 | 41 | -24.5 | 0 | 0 | 0 | 113.4 | ||||
| 572 | S | 22.7 | Very low | 27 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -165.3 | 157.6 | 153.9 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 573 | Q | 25.6 | Very low | 27 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -98.7 | 169.6 | -172 | -70.3 | 159.1 | -104.8 | 0 | 0 | 115 | ||||
| 574 | E | 26.8 | Very low | 27.1 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 62.6 | 154.9 | 147.1 | -76.9 | 140.5 | -142.5 | 0 | 0 | 118.3 | ||||
| 575 | E | 26.4 | Very low | 27 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | cis | -154.6 | 164.2 | 18.3 | -147.9 | -178.9 | -171 | 0 | 0 | 113.5 | ||||
| 576 | A | 26.1 | Very low | 27.2 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 6.4 | 151.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 577 | G | 24.6 | Very low | 27.2 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 146.2 | 100.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 578 | L | 27.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 34 | 146.8 | 120.9 | -55.3 | 167.1 | 0 | 0 | 0 | 119.5 | |||||
| 579 | E | 27.7 | Very low | 27.4 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -164.3 | 164.3 | 5.7 | -134 | 165.8 | -150.5 | 0 | 0 | 110.4 | ||||
| 580 | D | 27.2 | Very low | 27.8 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 34.1 | 151.7 | 150.4 | -72.5 | -2 | 0 | 0 | 0 | 125.4 | ||||
| 581 | G | 26.6 | Very low | 28 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 157.9 | 78.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 582 | V | 26.8 | Very low | 27.4 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -58.7 | 158 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 583 | S | 27.8 | Very low | 27.7 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 115.7 | 147.8 | 158.5 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 584 | G | 26.9 | Very low | 27.8 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -165.9 | 173.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 585 | E | 26.7 | Very low | 27.9 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -63.7 | -167.7 | -172.4 | -58.2 | 169.5 | 129.1 | 0 | 0 | 117.3 | ||||
| 586 | I | 29 | Very low | 27.9 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 83.5 | 131.3 | 161.1 | -53.6 | 178 | 0 | 0 | 0 | 114.3 | ||||
| 587 | S | 27.6 | Very low | 28 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | -164.6 | 153.8 | -3.9 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 588 | D | 26.2 | Very low | 28.2 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 62 | 148.7 | 138 | -61.5 | -27.3 | 0 | 0 | 0 | 125.4 | ||||
| 589 | A | 29.6 | Very low | 28.3 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -73.6 | 168.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 590 | E | 31.9 | Very low | 28.8 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 175.8 | 170.7 | 88 | -92.8 | -162.5 | 135.4 | 0 | 0 | 109.2 | |||||
| 591 | L | 31 | Very low | 28.8 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | cis | -158.8 | 162.8 | 5.3 | -119.6 | 158.6 | 0 | 0 | 0 | 109.1 | ||||
| 592 | E | 30.4 | Very low | 29 | Very low | 145 Ų | 145 | 131 Ų | 131 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 152.6 | 152.9 | -80.3 | 171 | -151 | 0 | 0 | 120.8 | ||||
| 593 | Q | 29.6 | Very low | 29.1 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | -150.7 | 154.6 | 14.2 | -134 | 165.5 | 51.3 | 0 | 0 | 113.4 | ||||
| 594 | T | 28.1 | Very low | 29 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -35.2 | 169.4 | 163.3 | 50.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 595 | D | 28.7 | Very low | 29 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | 177.7 | 161.1 | -20.8 | -171.8 | 11.3 | 0 | 0 | 0 | 108.7 | ||||
| 596 | S | 26.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 65.8 | 166.6 | 159 | 80.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 597 | C | 27 | Very low | 29.3 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | cis | -168.2 | 168.2 | -47.6 | -161 | 0 | 0 | 0 | 0 | 110 | ||||
| 598 | A | 28.6 | Very low | 29.3 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 82.6 | 136 | 154 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 599 | E | 30.5 | Very low | 29.6 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 177.4 | 163.1 | -54.1 | -178.6 | 131.3 | 0 | 0 | 112.1 | ||||
| 600 | P | 38.5 | Very low | 29.5 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | -148.6 | 169.6 | 100.8 | 37.7 | -21.1 | 0 | 0 | 0 | 117.4 | |||||
| 601 | L | 27.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 154.6 | 176 | -69.2 | 152 | 0 | 0 | 0 | 114.7 | ||||
| 602 | S | 29.7 | Very low | 29.2 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | 151 | 160.9 | 111 | 63.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 603 | E | 28.7 | Very low | 29 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | 69.5 | 109.1 | 160 | -59.5 | -143.6 | 141.9 | 0 | 0 | 122.5 | ||||
| 604 | G | 25.5 | Very low | 28.9 | Very low | 78 Ų | 78 | 162.6 Ų | 162.6 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -84 | -179.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 605 | R | 28.3 | Very low | 28.9 | Very low | 256 Ų | 256 | 165.5 Ų | 165.5 | 97% | 0.966 | 85% | 0.85 | S | S | * | * | trans | -151.1 | 135.9 | 159.8 | -118.5 | 173.3 | -173.5 | -178.2 | 3.2 | 112.7 | ||||
| 606 | K | 30.1 | Very low | 28.8 | Very low | 202 Ų | 202 | 167.5 Ų | 167.5 | 88% | 0.878 | 85% | 0.852 | S | S | * | * | trans | -71.4 | 139.1 | -178 | -59.3 | 168.4 | 178.9 | 173.3 | 0 | 112.3 | ||||
| 607 | K | 30.8 | Very low | 28.8 | Very low | 216 Ų | 216 | 170.5 Ų | 170.5 | 94% | 0.939 | 86% | 0.855 | S | S | * | * | trans | -143 | 121.3 | 147.1 | -77 | -168.7 | 179.6 | 169.3 | 0 | 111.2 | ||||
| 608 | A | 28 | Very low | 28.8 | Very low | 98 Ų | 98 | 172.1 Ų | 172.1 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | trans | -91.7 | 150 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 609 | K | 31.4 | Very low | 28.7 | Very low | 201 Ų | 201 | 173 Ų | 173 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | trans | -156.4 | 103.9 | 159.1 | -115 | 169.9 | -172.6 | -179.1 | 0 | 114.4 | ||||
| 610 | K | 29.4 | Very low | 28.9 | Very low | 199 Ų | 199 | 171 Ų | 171 | 87% | 0.865 | 86% | 0.856 | S | S | * | * | trans | 51.9 | 97.5 | 144.4 | -65.3 | -171.8 | 174.3 | -175.3 | 0 | 119.9 | ||||
| 611 | L | 25.6 | Very low | 28.4 | Very low | 174 Ų | 174 | 169.8 Ų | 169.8 | 91% | 0.911 | 86% | 0.857 | S | S | * | * | trans | -53.1 | 136.1 | 148.1 | -156.6 | 78.8 | 0 | 0 | 0 | 111.1 | ||||
| 612 | K | 29.2 | Very low | 28.4 | Very low | 208 Ų | 208 | 165.8 Ų | 165.8 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | -106.4 | 116.9 | 167.4 | -110.1 | -174.5 | 178 | -177.5 | 0 | 109.7 | ||||
| 613 | R | 26.8 | Very low | 28.2 | Very low | 244 Ų | 244 | 166.4 Ų | 166.4 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.8 | 171.1 | -121.3 | 173.6 | 173.3 | 175.9 | -3.7 | 108.7 | ||
| 614 | M | 28.2 | Very low | 28.3 | Very low | 194 Ų | 194 | 165.2 Ų | 165.2 | 96% | 0.956 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 144.2 | 160.9 | -113.2 | 175 | 162.1 | 0 | 0 | 109.8 | ||
| 615 | K | 26.8 | Very low | 28.3 | Very low | 184 Ų | 184 | 166.8 Ų | 166.8 | 80% | 0.8 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 131.6 | -162.5 | -156.2 | -177.3 | -179.7 | -162.3 | 0 | 109.1 | ||
| 616 | K | 27.6 | Very low | 28.4 | Very low | 184 Ų | 184 | 162.8 Ų | 162.8 | 80% | 0.8 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.8 | 175.8 | -167.9 | 176.2 | -173.4 | 177.3 | 0 | 108.2 | ||
| 617 | E | 26.4 | Very low | 28.3 | Very low | 169 Ų | 169 | 160.9 Ų | 160.9 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 142.8 | 168.5 | -67.8 | -165.2 | 160.7 | 0 | 0 | 110 | ||
| 618 | L | 27.1 | Very low | 28.1 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 82% | 0.817 | 84% | 0.842 | S | S | * | * | trans | -126.8 | 130 | -176.4 | -92.3 | 156.2 | 0 | 0 | 0 | 107 | ||||
| 619 | S | 26.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 157.1 Ų | 157.1 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | -143.1 | 154 | 169.3 | 44 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 620 | P | 35.2 | Very low | 28.2 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -99.4 | 167.8 | -132 | 36.3 | -37.6 | 0 | 0 | 0 | 116.1 | ||||
| 621 | A | 28.4 | Very low | 28.3 | Very low | 106 Ų | 106 | 148 Ų | 148 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -64.2 | 138.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 622 | G | 26.3 | Very low | 28.9 | Very low | 69 Ų | 69 | 144.6 Ų | 144.6 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -106.4 | 138.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 623 | S | 27.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 134.1 | -177.4 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 624 | I | 30.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -104.5 | 125.3 | 170.2 | -63.3 | 175.5 | 0 | 0 | 0 | 109.2 | ||||
| 625 | S | 25.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -80.1 | 133.6 | 170.9 | 56.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 626 | M | 30.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -69.2 | 131.5 | 173.5 | -70.1 | -171.8 | 159.1 | 0 | 0 | 111.8 | ||||
| 627 | N | 27.4 | Very low | 29.9 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 169.7 | 92.2 | 134 | -86.5 | -17.8 | 0 | 0 | 0 | 111.7 | ||||
| 628 | S | 27.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -175.4 | 150.9 | 147.9 | -111 | 0 | 0 | 0 | 0 | 110.4 | ||
| 629 | P | 30.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -70.4 | 135.2 | 178.2 | 29.3 | -33.6 | 0 | 0 | 0 | 111.1 | T631 | P629-T631 PolarHBondContact O-N 3.29Š| ||
| 630 | A | 29.5 | Very low | 30.4 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 108.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L632 | A630-L632 PolarHBondContact O-N 3.15Š| ||
| 631 | T | 31.7 | Very low | 30.2 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -71 | 98.8 | 158.1 | 38.8 | 0 | 0 | 0 | 0 | 109 | P629 F633 | P629-T631 PolarHBondContact O-N 3.29Å; T631-F633 PolarHBondContact O-N 3.09Å; T631-F633 VanDerWaalsContact O-N 3.12Å | ||
| 632 | L | 39.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | trans | -71.4 | -2.2 | -174.9 | -145.8 | 91.3 | 0 | 0 | 0 | 114.5 | A630 | A630-L632 PolarHBondContact O-N 3.15Š| ||
| 633 | F | 35.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 37% | 0.368 | 73% | 0.729 | S | S | . | * | trans | -139.4 | 91.5 | -176.4 | -65 | -85.1 | 0 | 0 | 0 | 110.4 | P417 T631 | P417-F633 HydrophobicContact CB-CE1 4.38Å; P417-F633 HydrophobicContact CB-CZ 4.39Å; P417-F633 HydrophobicContact CG-CD2 3.97Å; P417-F633 HydrophobicContact CG-CE1 4.31Å; P417-F633 HydrophobicContact CG-CE2 3.7Å; P417-F633 HydrophobicContact CG-CG 4.39Å; P417-F633 HydrophobicContact CG-CZ 3.88Å; T631-F633 PolarHBondContact O-N 3.09Å; T631-F633 VanDerWaalsContact O-N 3.12Å | ||
| 634 | E | 27.3 | Very low | 30.7 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -89.7 | 115.3 | 149.3 | -77.2 | -173.4 | 158 | 0 | 0 | 107.3 | ||||
| 635 | V | 34.8 | Very low | 30.7 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 58% | 0.576 | 71% | 0.71 | S | S | * | * | trans | -80.7 | 122.5 | 165.7 | 179.3 | 0 | 0 | 0 | 0 | 106.3 | D637 | V635-D637 PolarHBondContact O-N 3.3Š| ||
| 636 | P | 30.5 | Very low | 31.1 | Very low | 73 Ų | 73 | 128 Ų | 128 | 47% | 0.474 | 71% | 0.705 | S | S | . | * | trans | -63.5 | 130.5 | 175.2 | -21.6 | 33.6 | 0 | 0 | 0 | 110.7 | T638 | P636-T638 PolarHBondContact O-N 3.36Š| ||
| 637 | D | 31.7 | Very low | 31.2 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -65.6 | 0.3 | 174.9 | -78.7 | -37.8 | 0 | 0 | 0 | 113.9 | V635 | V635-D637 PolarHBondContact O-N 3.3Š|
| 638 | T | 25.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | trans | -145.1 | 121.8 | 176.3 | 52 | 0 | 0 | 0 | 0 | 110.2 | P636 | P636-T638 PolarHBondContact O-N 3.36Š| ||
| 639 | W | 33.9 | Very low | 31.8 | Very low | 218 Ų | 218 | 122 Ų | 122 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | trans | -99.6 | 0 | 159.6 | -81.1 | 91.4 | 0 | 0 | 0 | 109.6 | K335 | K335-W639 HydrophobicContact CD-CH2 4.22Å; K335-W639 VanDerWaalsContact NZ-CH2 3.29Å |
Retrieved 639 of 639 residues in 180.4 ms
(Link to these results)