| 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 | 28.7 | Very low | 36.3 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | 0 | -175.5 | 0 | -55.7 | -169.1 | -169.9 | 0 | 0 | 109.7 | D126 I592 | M1-D126 WeakPolarHBondContact CA-OD2 3.17Å; M1-D126 VanDerWaalsContact CB-OD2 3.27Å; M1-D126 WeakPolarHBondContact CB-OD2 3.34Å; M1-D126 PolarHBondContact N-OD1 3.31Å; M1-D126 PolarHBondContact N-OD2 3.12Å; M1-I592 HydrophobicContact CB-CD1 3.99Å; M1-I592 HydrophobicContact CG-CD1 4.15Å; M1-I592 HydrophobicContact SD-CD1 3.52Å; M1-I592 VanDerWaalsContact SD-CD1 3.52Å; M1-I592 HydrophobicContact SD-CG1 3.99Å | |||
| 2 | R | 26.5 | Very low | 37.6 | Very low | 226 Ų | 226 | 112.2 Ų | 112.2 | 85% | 0.853 | 56% | 0.564 | S | S | * | * | trans | -128 | 105.5 | 157.4 | -85.1 | -168 | 179.6 | -178 | 1.8 | 108.6 | ||||
| 3 | V | 28.1 | Very low | 39.1 | Very low | 66 Ų | 66 | 104.1 Ų | 104.1 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | trans | -63.7 | 128.5 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | S5 V8 | V3-S5 PolarHBondContact O-N 3.46Å; V3-V8 HydrophobicContact CG1-CG2 3.84Å | ||
| 4 | P | 30.9 | Very low | 40.6 | Very low | 57 Ų | 57 | 102.1 Ų | 102.1 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | trans | -59.3 | 126.5 | 176.1 | -25 | 34.6 | 0 | 0 | 0 | 111.5 | T6 I7 | P4-T6 PolarHBondContact O-N 3.26Å; P4-I7 HydrophobicContact CB-CD1 4.26Å; P4-I7 HydrophobicContact CB-CG1 4.37Å; P4-I7 HydrophobicContact CG-CD1 4.16Å; P4-I7 PolarHBondContact O-N 2.75Å | ||
| 5 | S | 37.5 | Very low | 42.2 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 79% | 0.79 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.9 | 179.9 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | V3 | V3-S5 PolarHBondContact O-N 3.46Š|
| 6 | T | 36.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 94.4 Ų | 94.4 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -16.9 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | P4 | P4-T6 PolarHBondContact O-N 3.26Š|
| 7 | I | 37.1 | Very low | 44.7 | Very low | 121 Ų | 121 | 90.8 Ų | 90.8 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -34.3 | -177.8 | -65.1 | 177.4 | 0 | 0 | 0 | 111.3 | P4 K9 | P4-I7 HydrophobicContact CB-CD1 4.26Å; P4-I7 HydrophobicContact CB-CG1 4.37Å; P4-I7 HydrophobicContact CG-CD1 4.16Å; P4-I7 PolarHBondContact O-N 2.75Å; I7-K9 PolarHBondContact O-N 3.25Å |
| 8 | V | 38 | Very low | 46 | Very low | 35 Ų | 35 | 88.5 Ų | 88.5 | 21% | 0.212 | 45% | 0.445 | C | S | . | . | trans | -82.1 | 85.9 | -177.3 | -148.6 | 0 | 0 | 0 | 0 | 110.3 | V3 K10 Y15 | V3-V8 HydrophobicContact CG1-CG2 3.84Å; V8-K10 WeakPolarHBondContact CG1-O 3.5Å; V8-K10 PolarHBondContact O-N 3.21Å; V8-Y15 HydrophobicContact CG1-CD2 4.18Å; V8-Y15 HydrophobicContact CG1-CG 4.09Å | ||
| 9 | K | 38.3 | Very low | 47.1 | Very low | 209 Ų | 209 | 84.1 Ų | 84.1 | 91% | 0.909 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -65.8 | 8.4 | 172.2 | -77.2 | -169.9 | 174.8 | -176.7 | 0 | 114.8 | I7 | I7-K9 PolarHBondContact O-N 3.25Š|
| 10 | K | 43.8 | Very low | 48.1 | Very low | 129 Ų | 129 | 80.1 Ų | 80.1 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -131.2 | 155.5 | 174.6 | -69.9 | -171.4 | 174.5 | -172.9 | 0 | 108.6 | V8 Q14 | V8-K10 WeakPolarHBondContact CG1-O 3.5Å; V8-K10 PolarHBondContact O-N 3.21Å; K10-Q14 HydrophobicContact CB-CB 4.17Å; K10-Q14 HydrophobicContact CD-CB 4.41Å |
| 11 | P | 53.6 | Low | 49.1 | Very low | 55 Ų | 55 | 78.5 Ų | 78.5 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | trans | -50.2 | 145.1 | 167.6 | -28.7 | 36.9 | 0 | 0 | 0 | 112.6 | N13 Q14 Y15 D71 | P11-N13 VanDerWaalsContact C-N 3.3Å; P11-N13 VanDerWaalsContact C-OD1 3.32Å; P11-N13 WeakPolarHBondContact CB-OD1 3.35Å; P11-N13 PolarHBondContact O-N 3.31Å; P11-Q14 HydrophobicContact CB-CG 4.21Å; P11-Q14 HydrophobicContact CG-CG 4.47Å; P11-Q14 WeakPolarHBondContact O-CA 3.49Å; P11-Q14 WeakPolarHBondContact O-CB 3.41Å; P11-Q14 PolarHBondContact O-N 2.82Å; P11-Y15 PolarHBondContact O-N 2.72Å; P11-Y15 VanDerWaalsContact O-N 3.08Å; P11-D71 WeakPolarHBondContact CB-OD1 3.42Å; P11-D71 VanDerWaalsContact CG-OD1 3.26Å; P11-D71 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 12 | R | 52.2 | Low | 51 | Low | 93 Ų | 93 | 80.3 Ų | 80.3 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.7 | -30 | -165.5 | -163.8 | 162.6 | 168.5 | -156.3 | -15.2 | 113 | Y15 A16 L127 D130 | R12-Y15 WeakPolarHBondContact O-CB 3.26Å; R12-Y15 PolarHBondContact O-N 2.67Å; R12-A16 PolarHBondContact O-N 2.76Å; R12-L127 HydrophobicContact CG-CD2 4.06Å; R12-D130 IonicContact CZ-OD2 3.28Å; R12-D130 IonicContact NH1-OD1 2.76Å; R12-D130 IonicContact NH1-OD2 3.2Å; R12-D130 PolarHBondContact NH1-OD2 3.37Å; R12-D130 IonicContact NH2-OD2 2.81Å; R12-D130 PolarHBondContact NH2-OD2 2.89Å |
| 13 | N | 57.7 | Low | 52.8 | Low | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 166 | 63.2 | -57.2 | 0 | 0 | 0 | 113.2 | P11 A16 L17 F67 I70 D71 | P11-N13 VanDerWaalsContact C-N 3.3Å; P11-N13 VanDerWaalsContact C-OD1 3.32Å; P11-N13 WeakPolarHBondContact CB-OD1 3.35Å; P11-N13 PolarHBondContact O-N 3.31Å; N13-A16 PolarHBondContact O-N 3.11Å; N13-L17 WeakPolarHBondContact O-CB 3.26Å; N13-L17 PolarHBondContact O-N 3.03Å; N13-F67 HydrophobicContact CB-CB 4.25Å; N13-F67 HydrophobicContact CB-CD1 3.99Å; N13-F67 WeakPolarHBondContact CB-O 3.48Å; N13-F67 PolarHBondContact ND2-O 3.3Å; N13-I70 HydrophobicContact CB-CB 4.24Å; N13-I70 HydrophobicContact CB-CG2 3.96Å; N13-D71 WeakPolarHBondContact ND2-CB 3.48Å; N13-D71 PolarHBondContact ND2-OD2 2.79Å; N13-D71 PolarHBondContact OD1-OD1 2.74Å |
| 14 | Q | 60 | Low | 54.4 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.6 | -32.4 | 173 | -65.1 | -174.8 | 19.8 | 0 | 0 | 111.7 | K10 P11 S18 D71 | K10-Q14 HydrophobicContact CB-CB 4.17Å; K10-Q14 HydrophobicContact CD-CB 4.41Å; P11-Q14 HydrophobicContact CB-CG 4.21Å; P11-Q14 HydrophobicContact CG-CG 4.47Å; P11-Q14 WeakPolarHBondContact O-CA 3.49Å; P11-Q14 WeakPolarHBondContact O-CB 3.41Å; P11-Q14 PolarHBondContact O-N 2.82Å; Q14-S18 PolarHBondContact O-N 3.06Å; Q14-D71 PolarHBondContact NE2-OD2 3.48Å |
| 15 | Y | 63.5 | Low | 55.8 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 168.9 | -174.4 | -93 | 0 | 0 | 0 | 110.5 | V8 P11 R12 L17 S18 V19 E123 L127 | V8-Y15 HydrophobicContact CG1-CD2 4.18Å; V8-Y15 HydrophobicContact CG1-CG 4.09Å; P11-Y15 PolarHBondContact O-N 2.72Å; P11-Y15 VanDerWaalsContact O-N 3.08Å; R12-Y15 WeakPolarHBondContact O-CB 3.26Å; R12-Y15 PolarHBondContact O-N 2.67Å; Y15-L17 VanDerWaalsContact C-N 3.33Å; Y15-L17 PolarHBondContact O-N 2.95Å; Y15-S18 CarbonylContact O-C 3.5Å; Y15-S18 WeakPolarHBondContact O-CA 3.25Å; Y15-S18 WeakPolarHBondContact O-CB 3.23Å; Y15-S18 PolarHBondContact O-N 2.88Å; Y15-S18 PolarHBondContact O-OG 3.05Å; Y15-V19 HydrophobicContact CD1-CG2 4.05Å; Y15-V19 HydrophobicContact CE1-CG2 3.58Å; Y15-V19 PolarHBondContact O-N 3.26Å; Y15-E123 WeakPolarHBondContact CE1-OE1 3.47Å; Y15-E123 PolarHBondContact OH-OE1 2.79Å; Y15-L127 HydrophobicContact CD1-CD1 3.77Å; Y15-L127 HydrophobicContact CD1-CD2 3.79Å; Y15-L127 HydrophobicContact CD1-CG 4.33Å; Y15-L127 HydrophobicContact CE1-CD1 3.93Å; Y15-L127 HydrophobicContact CE1-CD2 4.48Å |
| 16 | A | 63.3 | Low | 56.9 | Low | 2 Ų | 2 | 69.7 Ų | 69.7 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R12 N13 S18 V19 I20 F67 L127 | R12-A16 PolarHBondContact O-N 2.76Å; N13-A16 PolarHBondContact O-N 3.11Å; A16-S18 PolarHBondContact O-N 3Å; A16-V19 PolarHBondContact O-N 2.84Å; A16-I20 WeakPolarHBondContact O-CG1 3.17Å; A16-I20 PolarHBondContact O-N 2.95Å; A16-F67 HydrophobicContact CB-CD1 4.17Å; A16-F67 HydrophobicContact CB-CE1 3.67Å; A16-F67 HydrophobicContact CB-CZ 4.24Å; A16-L127 HydrophobicContact CB-CB 4.27Å; A16-L127 HydrophobicContact CB-CD1 4.05Å; A16-L127 HydrophobicContact CB-CD2 4.29Å; A16-L127 HydrophobicContact CB-CG 4.46Å |
| 17 | L | 64.4 | Low | 57.3 | Low | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 174.6 | -163.9 | 71.5 | 0 | 0 | 0 | 112.2 | N13 Y15 N21 R64 F67 | N13-L17 WeakPolarHBondContact O-CB 3.26Å; N13-L17 PolarHBondContact O-N 3.03Å; Y15-L17 VanDerWaalsContact C-N 3.33Å; Y15-L17 PolarHBondContact O-N 2.95Å; L17-N21 PolarHBondContact O-N 2.98Å; L17-N21 PolarHBondContact O-ND2 3.37Å; L17-R64 HydrophobicContact CD1-CG 3.73Å; L17-R64 HydrophobicContact CD2-CG 4.39Å; L17-F67 HydrophobicContact CD1-CD2 4.01Å |
| 18 | S | 67.9 | Low | 57.8 | Low | 49 Ų | 49 | 65.7 Ų | 65.7 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.1 | -34.6 | 174.2 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | Q14 Y15 A16 R22 | Q14-S18 PolarHBondContact O-N 3.06Å; Y15-S18 CarbonylContact O-C 3.5Å; Y15-S18 WeakPolarHBondContact O-CA 3.25Å; Y15-S18 WeakPolarHBondContact O-CB 3.23Å; Y15-S18 PolarHBondContact O-N 2.88Å; Y15-S18 PolarHBondContact O-OG 3.05Å; A16-S18 PolarHBondContact O-N 3Å; S18-R22 PolarHBondContact O-N 2.55Å |
| 19 | V | 66.3 | Low | 58.1 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 171.2 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | Y15 A16 R22 F23 E123 L127 | Y15-V19 HydrophobicContact CD1-CG2 4.05Å; Y15-V19 HydrophobicContact CE1-CG2 3.58Å; Y15-V19 PolarHBondContact O-N 3.26Å; A16-V19 PolarHBondContact O-N 2.84Å; V19-R22 WeakPolarHBondContact O-CB 3.49Å; V19-R22 PolarHBondContact O-N 2.9Å; V19-F23 PolarHBondContact O-N 3.4Å; V19-E123 HydrophobicContact CG1-CB 4.43Å; V19-E123 HydrophobicContact CG1-CG 4.17Å; V19-E123 HydrophobicContact CG2-CG 4.17Å; V19-L127 HydrophobicContact CB-CD1 4.37Å; V19-L127 HydrophobicContact CG2-CD1 3.93Å |
| 20 | I | 68.1 | Low | 58.2 | Low | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 175.5 | -68.5 | 167.7 | 0 | 0 | 0 | 111.4 | A16 R22 F23 L24 L58 L63 F67 L124 | A16-I20 WeakPolarHBondContact O-CG1 3.17Å; A16-I20 PolarHBondContact O-N 2.95Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.94Å; I20-F23 PolarHBondContact O-N 2.82Å; I20-L24 HydrophobicContact CG2-CD1 4.02Å; I20-L24 HydrophobicContact CG2-CG 4.48Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.92Å; I20-L24 VanDerWaalsContact O-N 3.09Å; I20-L58 HydrophobicContact CD1-CD2 4.23Å; I20-L58 HydrophobicContact CG1-CD2 4.17Å; I20-L58 HydrophobicContact CG2-CB 4.16Å; I20-L58 HydrophobicContact CG2-CD2 4.29Å; I20-L63 HydrophobicContact CD1-CD2 4.08Å; I20-F67 HydrophobicContact CD1-CD2 4.21Å; I20-F67 HydrophobicContact CD1-CE2 3.23Å; I20-F67 HydrophobicContact CD1-CZ 3.51Å; I20-L124 HydrophobicContact CD1-CD1 3.87Å; I20-L124 HydrophobicContact CD1-CD2 4.49Å; I20-L124 HydrophobicContact CG1-CD1 3.72Å; I20-L124 HydrophobicContact CG1-CD2 3.98Å |
| 21 | N | 68.6 | Low | 58.1 | Low | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.7 | -64.7 | -34.2 | 0 | 0 | 0 | 110.3 | L17 F23 L24 D25 | L17-N21 PolarHBondContact O-N 2.98Å; L17-N21 PolarHBondContact O-ND2 3.37Å; N21-F23 PolarHBondContact O-N 2.83Å; N21-L24 CarbonylContact O-C 3.6Å; N21-L24 PolarHBondContact O-N 3.37Å; N21-D25 VanDerWaalsContact O-CB 3.24Å; N21-D25 WeakPolarHBondContact O-CB 3.22Å; N21-D25 PolarHBondContact O-N 2.82Å |
| 22 | R | 67.8 | Low | 57.5 | Low | 159 Ų | 159 | 58.4 Ų | 58.4 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.2 | -47.6 | 172.5 | -109.5 | -179 | 173.9 | 171 | -4.2 | 113.3 | S18 V19 I20 L24 D25 D26 | S18-R22 PolarHBondContact O-N 2.55Å; V19-R22 WeakPolarHBondContact O-CB 3.49Å; V19-R22 PolarHBondContact O-N 2.9Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.94Å; R22-L24 PolarHBondContact O-N 2.98Å; R22-D25 PolarHBondContact O-N 2.85Å; R22-D26 PolarHBondContact O-N 3.3Å |
| 23 | F | 64.8 | Low | 56.9 | Low | 11 Ų | 11 | 60.1 Ų | 60.1 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -24.2 | 178.9 | -168.5 | -99.6 | 0 | 0 | 0 | 113.4 | V19 I20 N21 F29 L54 R55 L58 H120 | V19-F23 PolarHBondContact O-N 3.4Å; I20-F23 PolarHBondContact O-N 2.82Å; N21-F23 PolarHBondContact O-N 2.83Å; F23-F29 HydrophobicContact CE2-CE1 4.25Å; F23-F29 HydrophobicContact CZ-CE1 4.46Å; F23-L54 HydrophobicContact CE1-CD2 4.11Å; F23-L54 HydrophobicContact CZ-CD2 4.15Å; F23-R55 HydrophobicContact CD1-CG 4.36Å; F23-R55 HydrophobicContact CE1-CG 3.87Å; F23-R55 PolarHBondContact O-NE 3.25Å; F23-R55 PolarHBondContact O-NH2 2.83Å; F23-L58 HydrophobicContact CD1-CD1 3.52Å; F23-L58 HydrophobicContact CE1-CD1 3.85Å; F23-L58 HydrophobicContact CG-CD1 4.45Å; F23-H120 HydrophobicContact CD2-CB 3.81Å; F23-H120 HydrophobicContact CE2-CB 4.45Å |
| 24 | L | 61.9 | Low | 55.7 | Low | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -90.4 | -32.1 | 175.5 | -63.8 | 176.8 | 0 | 0 | 0 | 113.2 | I20 N21 R22 R55 L58 K59 | I20-L24 HydrophobicContact CG2-CD1 4.02Å; I20-L24 HydrophobicContact CG2-CG 4.48Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.92Å; I20-L24 VanDerWaalsContact O-N 3.09Å; N21-L24 CarbonylContact O-C 3.6Å; N21-L24 PolarHBondContact O-N 3.37Å; R22-L24 PolarHBondContact O-N 2.98Å; L24-R55 HydrophobicContact CD2-CB 4.49Å; L24-L58 HydrophobicContact CD2-CB 4.19Å; L24-K59 HydrophobicContact CD1-CG 3.86Å; L24-K59 HydrophobicContact CD2-CD 4.44Å; L24-K59 HydrophobicContact CD2-CG 3.87Å; L24-K59 HydrophobicContact CG-CG 4.49Å |
| 25 | D | 60.8 | Low | 54.4 | Low | 125 Ų | 125 | 67.1 Ų | 67.1 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -94.9 | -22.3 | -170.3 | -65.2 | -25.7 | 0 | 0 | 0 | 114 | N21 R22 S27 | N21-D25 VanDerWaalsContact O-CB 3.24Å; N21-D25 WeakPolarHBondContact O-CB 3.22Å; N21-D25 PolarHBondContact O-N 2.82Å; R22-D25 PolarHBondContact O-N 2.85Å; D25-S27 PolarHBondContact O-N 2.97Å |
| 26 | D | 59.2 | Low | 52.8 | Low | 73 Ų | 73 | 71.2 Ų | 71.2 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | trans | -66.7 | 107.3 | 173.1 | -166.3 | -40.3 | 0 | 0 | 0 | 110.2 | R22 T28 F29 V30 | R22-D26 PolarHBondContact O-N 3.3Å; D26-T28 WeakPolarHBondContact OD1-CA 3.42Å; D26-T28 WeakPolarHBondContact OD1-CB 3.25Å; D26-T28 PolarHBondContact OD1-N 3.18Å; D26-T28 PolarHBondContact OD1-OG1 3.48Å; D26-F29 HydrophobicContact CB-CB 4.46Å; D26-F29 PolarHBondContact OD1-N 2.63Å; D26-F29 VanDerWaalsContact OD1-N 3.15Å; D26-V30 WeakPolarHBondContact O-CG2 3.25Å | ||
| 27 | S | 46.4 | Very low | 51.1 | Low | 78 Ų | 78 | 74.4 Ų | 74.4 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -80 | -22.1 | 179.4 | 59 | 0 | 0 | 0 | 0 | 113.5 | D25 V30 T31 | D25-S27 PolarHBondContact O-N 2.97Å; S27-V30 WeakPolarHBondContact O-CB 3.23Å; S27-V30 PolarHBondContact O-N 3.38Å; S27-T31 WeakPolarHBondContact O-CB 3.23Å; S27-T31 PolarHBondContact O-N 3.14Å; S27-T31 VanDerWaalsContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 2.9Å |
| 28 | T | 46.7 | Very low | 49.5 | Very low | 81 Ų | 81 | 78.3 Ų | 78.3 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.1 | -40.5 | -177.1 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | D26 V30 T31 N32 | D26-T28 WeakPolarHBondContact OD1-CA 3.42Å; D26-T28 WeakPolarHBondContact OD1-CB 3.25Å; D26-T28 PolarHBondContact OD1-N 3.18Å; D26-T28 PolarHBondContact OD1-OG1 3.48Å; T28-V30 VanDerWaalsContact C-N 3.32Å; T28-V30 PolarHBondContact O-N 2.87Å; T28-T31 PolarHBondContact O-N 3.47Å; T28-N32 WeakPolarHBondContact O-CB 3.47Å; T28-N32 VanDerWaalsContact O-CG 3.26Å; T28-N32 PolarHBondContact O-N 2.72Å; T28-N32 PolarHBondContact O-ND2 2.83Å |
| 29 | F | 43.6 | Very low | 47.7 | Very low | 47 Ų | 47 | 82.9 Ų | 82.9 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -55.1 | -47.3 | 171.2 | -177.1 | -113.2 | 0 | 0 | 0 | 111.5 | F23 D26 T31 N32 H33 L51 E118 | F23-F29 HydrophobicContact CE2-CE1 4.25Å; F23-F29 HydrophobicContact CZ-CE1 4.46Å; D26-F29 HydrophobicContact CB-CB 4.46Å; D26-F29 PolarHBondContact OD1-N 2.63Å; D26-F29 VanDerWaalsContact OD1-N 3.15Å; F29-T31 PolarHBondContact O-N 3.13Å; F29-N32 PolarHBondContact O-N 2.8Å; F29-H33 PolarHBondContact O-N 3Å; F29-L51 HydrophobicContact CE1-CD2 3.93Å; F29-L51 HydrophobicContact CZ-CD2 4.06Å; F29-E118 WeakPolarHBondContact CZ-OE1 3.41Å |
| 30 | V | 41.1 | Very low | 46 | Very low | 40 Ų | 40 | 89.9 Ų | 89.9 | 24% | 0.242 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.5 | -158.2 | 0 | 0 | 0 | 0 | 112 | D26 S27 T28 N32 L34 | D26-V30 WeakPolarHBondContact O-CG2 3.25Å; S27-V30 WeakPolarHBondContact O-CB 3.23Å; S27-V30 PolarHBondContact O-N 3.38Å; T28-V30 VanDerWaalsContact C-N 3.32Å; T28-V30 PolarHBondContact O-N 2.87Å; V30-N32 VanDerWaalsContact C-N 3.31Å; V30-N32 PolarHBondContact O-N 3.13Å; V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 3.12Å |
| 31 | T | 41.9 | Very low | 44.3 | Very low | 78 Ų | 78 | 94.6 Ų | 94.6 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.8 | -14.3 | -169.9 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | S27 T28 F29 K35 | S27-T31 WeakPolarHBondContact O-CB 3.23Å; S27-T31 PolarHBondContact O-N 3.14Å; S27-T31 VanDerWaalsContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 2.9Å; T28-T31 PolarHBondContact O-N 3.47Å; F29-T31 PolarHBondContact O-N 3.13Å; T31-K35 VanDerWaalsContact O-CD 3.31Å; T31-K35 WeakPolarHBondContact O-CD 3.29Å; T31-K35 WeakPolarHBondContact O-CG 3.39Å |
| 32 | N | 41.1 | Very low | 42.6 | Very low | 110 Ų | 110 | 100 Ų | 100 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -91.4 | -33.5 | 176.1 | -70.9 | -19.3 | 0 | 0 | 0 | 112.9 | T28 F29 V30 | T28-N32 WeakPolarHBondContact O-CB 3.47Å; T28-N32 VanDerWaalsContact O-CG 3.26Å; T28-N32 PolarHBondContact O-N 2.72Å; T28-N32 PolarHBondContact O-ND2 2.83Å; F29-N32 PolarHBondContact O-N 2.8Å; V30-N32 VanDerWaalsContact C-N 3.31Å; V30-N32 PolarHBondContact O-N 3.13Å |
| 33 | H | 39.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 98.2 Ų | 98.2 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -92.8 | -37.2 | 177.7 | -82.1 | -92.6 | 0 | 0 | 0 | 114.2 | F29 K35 | F29-H33 PolarHBondContact O-N 3Å; H33-K35 PolarHBondContact O-N 2.92Å; H33-K35 VanDerWaalsContact O-N 3.13Å |
| 34 | L | 33.2 | Very low | 39.8 | Very low | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -86.8 | 30.3 | 179.2 | -67.1 | 167.5 | 0 | 0 | 0 | 113.4 | V30 I36 D48 I52 | V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 3.12Å; L34-I36 PolarHBondContact O-N 3.41Å; L34-D48 WeakPolarHBondContact CD2-OD1 3.17Å; L34-I52 HydrophobicContact CD2-CD1 4.39Å |
| 35 | K | 31.8 | Very low | 38.5 | Very low | 149 Ų | 149 | 107.8 Ų | 107.8 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | trans | -84.9 | 92 | 178.7 | -116.2 | 175.7 | -172 | 170.6 | 0 | 110.3 | T31 H33 G37 | T31-K35 VanDerWaalsContact O-CD 3.31Å; T31-K35 WeakPolarHBondContact O-CD 3.29Å; T31-K35 WeakPolarHBondContact O-CG 3.39Å; H33-K35 PolarHBondContact O-N 2.92Å; H33-K35 VanDerWaalsContact O-N 3.13Å; K35-G37 PolarHBondContact O-N 2.89Å | ||
| 36 | I | 30 | Very low | 37.8 | Very low | 166 Ų | 166 | 106.3 Ų | 106.3 | 85% | 0.851 | 60% | 0.603 | S | S | * | * | trans | -58.2 | 98.2 | 166.3 | -58.9 | 171.1 | 0 | 0 | 0 | 108.3 | L34 | L34-I36 PolarHBondContact O-N 3.41Š| ||
| 37 | G | 28.7 | Very low | 37.5 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -93.6 | 133.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | K35 | K35-G37 PolarHBondContact O-N 2.89Š| ||
| 38 | T | 30.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 109.6 Ų | 109.6 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -81.1 | 155.9 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 39 | D | 29.8 | Very low | 38.5 | Very low | 146 Ų | 146 | 112.6 Ų | 112.6 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | trans | 82.8 | 144.9 | 164.1 | -47 | -43.7 | 0 | 0 | 0 | 118.8 | ||||
| 40 | D | 30.6 | Very low | 38.8 | Very low | 150 Ų | 150 | 113.2 Ų | 113.2 | 80% | 0.802 | 63% | 0.627 | S | S | * | * | trans | 63 | 67.5 | 168.1 | -65.7 | -7.8 | 0 | 0 | 0 | 122.2 | ||||
| 41 | S | 33.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 112.5 Ų | 112.5 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | 71.6 | 141.4 | 125.9 | 76.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 42 | N | 32.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 113 Ų | 113 | 86% | 0.861 | 62% | 0.62 | S | S | * | * | trans | 80.8 | 117.8 | 175.5 | -58.2 | -52.1 | 0 | 0 | 0 | 117.3 | ||||
| 43 | D | 32.2 | Very low | 41.7 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 65% | 0.647 | 61% | 0.611 | S | S | * | * | trans | -61.1 | 154.7 | 175.6 | -111 | -45.9 | 0 | 0 | 0 | 113 | I45 | D43-I45 WeakPolarHBondContact OD1-CD1 3.26Å; D43-I45 VanDerWaalsContact OD1-CG1 3.24Å; D43-I45 WeakPolarHBondContact OD1-CG1 3.26Å; D43-I45 PolarHBondContact OD1-N 2.74Å | ||
| 44 | P | 40.6 | Very low | 42.6 | Very low | 111 Ų | 111 | 106.3 Ų | 106.3 | 72% | 0.721 | 58% | 0.584 | S | S | * | * | -135.2 | 117 | 58.4 | 35.5 | -18.1 | 0 | 0 | 0 | 117.2 | T46 | P44-T46 PolarHBondContact O-N 2.75Š| |||
| 45 | I | 35.2 | Very low | 44 | Very low | 131 Ų | 131 | 104.5 Ų | 104.5 | 67% | 0.672 | 57% | 0.572 | S | S | * | * | trans | -61.6 | 99.6 | 162.8 | -65.5 | 157.1 | 0 | 0 | 0 | 109.8 | D43 | D43-I45 WeakPolarHBondContact OD1-CD1 3.26Å; D43-I45 VanDerWaalsContact OD1-CG1 3.24Å; D43-I45 WeakPolarHBondContact OD1-CG1 3.26Å; D43-I45 PolarHBondContact OD1-N 2.74Å | ||
| 46 | T | 45.1 | Very low | 45.7 | Very low | 95 Ų | 95 | 105.5 Ų | 105.5 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | trans | -141.4 | -44.1 | 167.2 | -17.3 | 0 | 0 | 0 | 0 | 115.1 | P44 | P44-T46 PolarHBondContact O-N 2.75Š| ||
| 47 | D | 54.3 | Low | 47.3 | Very low | 145 Ų | 145 | 97.9 Ų | 97.9 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | -165.6 | -70.2 | -37.2 | 0 | 0 | 0 | 115.8 | K49 D50 | D47-K49 PolarHBondContact O-N 3.08Å; D47-K49 VanDerWaalsContact O-N 3.1Å; D47-D50 PolarHBondContact O-N 3.02Å |
| 48 | D | 54.7 | Low | 49 | Very low | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -30.5 | -172.3 | -97.2 | -30.8 | 0 | 0 | 0 | 114.4 | L34 L51 I52 | L34-D48 WeakPolarHBondContact CD2-OD1 3.17Å; D48-L51 PolarHBondContact O-N 2.93Å; D48-I52 HydrophobicContact CB-CD1 4.37Å; D48-I52 WeakPolarHBondContact O-CB 3.34Å; D48-I52 WeakPolarHBondContact O-CD1 3.49Å; D48-I52 WeakPolarHBondContact O-CG1 3.34Å; D48-I52 PolarHBondContact O-N 3.41Å |
| 49 | K | 58.7 | Low | 50.9 | Low | 143 Ų | 143 | 96.5 Ų | 96.5 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -42.7 | -172.6 | -74.9 | 176.8 | -179 | 165.5 | 0 | 112.2 | D47 F53 | D47-K49 PolarHBondContact O-N 3.08Å; D47-K49 VanDerWaalsContact O-N 3.1Å; K49-F53 VanDerWaalsContact O-CB 3.27Å; K49-F53 WeakPolarHBondContact O-CB 3.31Å; K49-F53 PolarHBondContact O-N 2.89Å |
| 50 | D | 50.6 | Low | 52.6 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.1 | -36.1 | -178.2 | -73.5 | 9.6 | 0 | 0 | 0 | 110.3 | D47 F53 L54 F109 R112 | D47-D50 PolarHBondContact O-N 3.02Å; D50-F53 PolarHBondContact O-N 3.1Å; D50-L54 WeakPolarHBondContact O-CB 3.42Å; D50-L54 PolarHBondContact O-N 2.83Å; D50-F109 HydrophobicContact CB-CD2 4.09Å; D50-F109 HydrophobicContact CB-CE2 4.27Å; D50-R112 IonicContact OD2-CZ 3.2Å; D50-R112 IonicContact OD2-NH1 3.21Å; D50-R112 PolarHBondContact OD2-NH1 3.38Å |
| 51 | L | 56 | Low | 54.4 | Low | 24 Ų | 24 | 92.1 Ų | 92.1 | 13% | 0.126 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 174 | -136.7 | 78.8 | 0 | 0 | 0 | 112.6 | F29 D48 F53 L54 R55 F109 E118 | F29-L51 HydrophobicContact CE1-CD2 3.93Å; F29-L51 HydrophobicContact CZ-CD2 4.06Å; D48-L51 PolarHBondContact O-N 2.93Å; L51-F53 VanDerWaalsContact C-N 3.33Å; L51-L54 PolarHBondContact O-N 3.08Å; L51-R55 WeakPolarHBondContact O-CB 3.44Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.34Å; L51-F109 HydrophobicContact CD1-CE2 4.04Å; L51-F109 HydrophobicContact CD1-CZ 3.63Å; L51-E118 VanDerWaalsContact CD1-OE1 3.32Å; L51-E118 WeakPolarHBondContact CD1-OE1 3.5Å |
| 52 | I | 63.7 | Low | 55.9 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 46% | 0.462 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.3 | -70.5 | 167.1 | 0 | 0 | 0 | 110.4 | L34 D48 K56 | L34-I52 HydrophobicContact CD2-CD1 4.39Å; D48-I52 HydrophobicContact CB-CD1 4.37Å; D48-I52 WeakPolarHBondContact O-CB 3.34Å; D48-I52 WeakPolarHBondContact O-CD1 3.49Å; D48-I52 WeakPolarHBondContact O-CG1 3.34Å; D48-I52 PolarHBondContact O-N 3.41Å; I52-K56 VanDerWaalsContact O-CB 3.3Å; I52-K56 WeakPolarHBondContact O-CB 3.4Å; I52-K56 PolarHBondContact O-N 2.6Å |
| 53 | F | 64.2 | Low | 57.6 | Low | 92 Ų | 92 | 80.8 Ų | 80.8 | 40% | 0.404 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -54.1 | 174.4 | 175.6 | -89.2 | 0 | 0 | 0 | 111.2 | K49 D50 L51 R55 K56 Y57 D105 | K49-F53 VanDerWaalsContact O-CB 3.27Å; K49-F53 WeakPolarHBondContact O-CB 3.31Å; K49-F53 PolarHBondContact O-N 2.89Å; D50-F53 PolarHBondContact O-N 3.1Å; L51-F53 VanDerWaalsContact C-N 3.33Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 3.39Å; F53-K56 CarbonylContact O-C 3.57Å; F53-K56 PolarHBondContact O-N 3.41Å; F53-Y57 AromaticContact CE1-CD2 3.79Å; F53-Y57 HydrophobicContact CE1-CD2 3.79Å; F53-Y57 HydrophobicContact CE1-CG 4.46Å; F53-Y57 HydrophobicContact CE2-CD2 4.35Å; F53-Y57 AromaticContact CZ-CD2 3.59Å; F53-Y57 HydrophobicContact CZ-CD2 3.59Å; F53-Y57 HydrophobicContact CZ-CE2 4.17Å; F53-Y57 WeakPolarHBondContact O-CB 3.5Å; F53-Y57 PolarHBondContact O-N 3.43Å; F53-D105 HydrophobicContact CE1-CB 3.87Å; F53-D105 VanDerWaalsContact CE1-OD2 3.29Å; F53-D105 WeakPolarHBondContact CE1-OD2 3.24Å; F53-D105 WeakPolarHBondContact CZ-OD2 3.37Å |
| 54 | L | 58.1 | Low | 59.2 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.4 | -44 | -179 | -135 | 90.2 | 0 | 0 | 0 | 111.1 | F23 D50 L51 Y57 L58 L106 F109 | F23-L54 HydrophobicContact CE1-CD2 4.11Å; F23-L54 HydrophobicContact CZ-CD2 4.15Å; D50-L54 WeakPolarHBondContact O-CB 3.42Å; D50-L54 PolarHBondContact O-N 2.83Å; L51-L54 PolarHBondContact O-N 3.08Å; L54-Y57 WeakPolarHBondContact O-CB 3.4Å; L54-Y57 PolarHBondContact O-N 2.87Å; L54-L58 HydrophobicContact CD2-CD1 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.35Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.23Å; L54-L58 PolarHBondContact O-N 3.3Å; L54-L106 HydrophobicContact CD2-CD1 4.02Å; L54-F109 HydrophobicContact CD1-CB 4.34Å; L54-F109 HydrophobicContact CD1-CG 4.38Å; L54-F109 HydrophobicContact CD2-CD1 4.46Å |
| 55 | R | 64.2 | Low | 60.4 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 177.4 | -72.5 | -176.8 | 129.4 | -138.5 | -5.9 | 113.3 | F23 L24 L51 F53 Y57 K59 | F23-R55 HydrophobicContact CD1-CG 4.36Å; F23-R55 HydrophobicContact CE1-CG 3.87Å; F23-R55 PolarHBondContact O-NE 3.25Å; F23-R55 PolarHBondContact O-NH2 2.83Å; L24-R55 HydrophobicContact CD2-CB 4.49Å; L51-R55 WeakPolarHBondContact O-CB 3.44Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.34Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 3.39Å; R55-Y57 VanDerWaalsContact C-N 3.3Å; R55-K59 WeakPolarHBondContact O-CG 3.38Å; R55-K59 PolarHBondContact O-N 3.47Å |
| 56 | K | 66.4 | Low | 61.9 | Low | 170 Ų | 170 | 74.5 Ų | 74.5 | 74% | 0.739 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70.3 | -30.8 | 174.1 | -163.6 | 172.8 | -173.5 | 176.7 | 0 | 111.5 | I52 F53 | I52-K56 VanDerWaalsContact O-CB 3.3Å; I52-K56 WeakPolarHBondContact O-CB 3.4Å; I52-K56 PolarHBondContact O-N 2.6Å; F53-K56 CarbonylContact O-C 3.57Å; F53-K56 PolarHBondContact O-N 3.41Å |
| 57 | Y | 63.2 | Low | 63 | Low | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.9 | -51.2 | 176.4 | -154.2 | -68.3 | 0 | 0 | 0 | 112 | F53 L54 R55 K59 R60 V98 E101 L102 | F53-Y57 AromaticContact CE1-CD2 3.79Å; F53-Y57 HydrophobicContact CE1-CD2 3.79Å; F53-Y57 HydrophobicContact CE1-CG 4.46Å; F53-Y57 HydrophobicContact CE2-CD2 4.35Å; F53-Y57 AromaticContact CZ-CD2 3.59Å; F53-Y57 HydrophobicContact CZ-CD2 3.59Å; F53-Y57 HydrophobicContact CZ-CE2 4.17Å; F53-Y57 WeakPolarHBondContact O-CB 3.5Å; F53-Y57 PolarHBondContact O-N 3.43Å; L54-Y57 WeakPolarHBondContact O-CB 3.4Å; L54-Y57 PolarHBondContact O-N 2.87Å; R55-Y57 VanDerWaalsContact C-N 3.3Å; Y57-K59 PolarHBondContact O-N 3.42Å; Y57-K59 VanDerWaalsContact O-N 3.16Å; Y57-R60 VanDerWaalsContact CE2-NH1 3.33Å; Y57-R60 WeakPolarHBondContact O-CB 3.31Å; Y57-R60 VanDerWaalsContact O-CG 3.31Å; Y57-R60 WeakPolarHBondContact O-CG 3.27Å; Y57-R60 PolarHBondContact O-N 2.99Å; Y57-R60 PolarHBondContact OH-NH1 2.99Å; Y57-V98 HydrophobicContact CE1-CG1 3.58Å; Y57-V98 VanDerWaalsContact CE1-O 3.28Å; Y57-V98 WeakPolarHBondContact CE1-O 3.21Å; Y57-V98 VanDerWaalsContact OH-CA 3.25Å; Y57-V98 WeakPolarHBondContact OH-CA 3Å; Y57-V98 WeakPolarHBondContact OH-CG1 3.35Å; Y57-V98 PolarHBondContact OH-O 2.89Å; Y57-E101 HydrophobicContact CE2-CB 4.11Å; Y57-E101 WeakPolarHBondContact OH-CB 3.22Å; Y57-E101 PolarHBondContact OH-OE2 3.02Å; Y57-L102 HydrophobicContact CD1-CB 3.96Å; Y57-L102 HydrophobicContact CD1-CD1 3.89Å; Y57-L102 HydrophobicContact CD1-CG 4.42Å; Y57-L102 HydrophobicContact CE1-CB 3.66Å; Y57-L102 HydrophobicContact CE1-CD1 4.47Å; Y57-L102 HydrophobicContact CG-CD1 4.45Å |
| 58 | L | 64.5 | Low | 63.5 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -20.6 | -179.2 | -70.9 | 174.6 | 0 | 0 | 0 | 113.6 | I20 F23 L24 L54 R60 L63 L102 L124 | I20-L58 HydrophobicContact CD1-CD2 4.23Å; I20-L58 HydrophobicContact CG1-CD2 4.17Å; I20-L58 HydrophobicContact CG2-CB 4.16Å; I20-L58 HydrophobicContact CG2-CD2 4.29Å; F23-L58 HydrophobicContact CD1-CD1 3.52Å; F23-L58 HydrophobicContact CE1-CD1 3.85Å; F23-L58 HydrophobicContact CG-CD1 4.45Å; L24-L58 HydrophobicContact CD2-CB 4.19Å; L54-L58 HydrophobicContact CD2-CD1 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.35Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.23Å; L54-L58 PolarHBondContact O-N 3.3Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-L63 HydrophobicContact CD2-CD2 3.7Å; L58-L102 HydrophobicContact CD2-CD1 3.88Å; L58-L102 HydrophobicContact CD2-CD2 3.73Å; L58-L102 HydrophobicContact CD2-CG 4.49Å; L58-L102 HydrophobicContact CG-CD1 4.47Å; L58-L124 HydrophobicContact CD1-CD2 4.26Å; L58-L124 HydrophobicContact CD2-CD2 3.85Å |
| 59 | K | 70.1 | Confident | 63.9 | Low | 147 Ų | 147 | 65.3 Ų | 65.3 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.3 | 170.9 | -72.6 | -175.1 | -179.1 | -169.6 | 0 | 114.5 | L24 R55 Y57 S61 | L24-K59 HydrophobicContact CD1-CG 3.86Å; L24-K59 HydrophobicContact CD2-CD 4.44Å; L24-K59 HydrophobicContact CD2-CG 3.87Å; L24-K59 HydrophobicContact CG-CG 4.49Å; R55-K59 WeakPolarHBondContact O-CG 3.38Å; R55-K59 PolarHBondContact O-N 3.47Å; Y57-K59 PolarHBondContact O-N 3.42Å; Y57-K59 VanDerWaalsContact O-N 3.16Å; K59-S61 PolarHBondContact O-N 2.88Å |
| 60 | R | 66.8 | Low | 64.1 | Low | 104 Ų | 104 | 59.5 Ų | 59.5 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | trans | -64.1 | 123.4 | 176.8 | -76 | 179 | 161.2 | -170.8 | -4.2 | 111.1 | Y57 L58 S62 L63 V98 E101 | Y57-R60 VanDerWaalsContact CE2-NH1 3.33Å; Y57-R60 WeakPolarHBondContact O-CB 3.31Å; Y57-R60 VanDerWaalsContact O-CG 3.31Å; Y57-R60 WeakPolarHBondContact O-CG 3.27Å; Y57-R60 PolarHBondContact O-N 2.99Å; Y57-R60 PolarHBondContact OH-NH1 2.99Å; L58-R60 VanDerWaalsContact C-N 3.32Å; R60-S62 PolarHBondContact O-N 2.72Å; R60-L63 VanDerWaalsContact O-CB 3.22Å; R60-L63 WeakPolarHBondContact O-CB 3.28Å; R60-L63 PolarHBondContact O-N 3.04Å; R60-V98 HydrophobicContact CB-CG1 4.21Å; R60-E101 IonicContact CZ-OE2 3.65Å; R60-E101 IonicContact NH1-OE2 3.52Å; R60-E101 PolarHBondContact NH1-OE2 3.46Å | ||
| 61 | S | 68.2 | Low | 64.5 | Low | 99 Ų | 99 | 58.7 Ų | 58.7 | 69% | 0.692 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.2 | -27.4 | -179 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | K59 L63 R64 H65 | K59-S61 PolarHBondContact O-N 2.88Å; S61-L63 VanDerWaalsContact C-N 3.25Å; S61-L63 PolarHBondContact O-N 3.34Å; S61-R64 PolarHBondContact O-N 3.13Å; S61-H65 PolarHBondContact O-N 3.07Å |
| 62 | S | 63.8 | Low | 64.4 | Low | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -27.5 | 171.2 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | R60 H65 C66 S95 | R60-S62 PolarHBondContact O-N 2.72Å; S62-H65 WeakPolarHBondContact O-CB 3.43Å; S62-H65 PolarHBondContact O-N 3.01Å; S62-H65 VanDerWaalsContact O-N 3.15Å; S62-C66 PolarHBondContact O-N 2.87Å; S62-C66 VanDerWaalsContact O-N 3.09Å; S62-S95 WeakPolarHBondContact O-CB 3.35Å; S62-S95 PolarHBondContact O-OG 2.91Å |
| 63 | L | 68.1 | Low | 64 | Low | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 177.2 | -157.7 | 77.8 | 0 | 0 | 0 | 111.6 | I20 L58 R60 S61 H65 C66 F67 V98 L99 L102 | I20-L63 HydrophobicContact CD1-CD2 4.08Å; L58-L63 HydrophobicContact CD2-CD2 3.7Å; R60-L63 VanDerWaalsContact O-CB 3.22Å; R60-L63 WeakPolarHBondContact O-CB 3.28Å; R60-L63 PolarHBondContact O-N 3.04Å; S61-L63 VanDerWaalsContact C-N 3.25Å; S61-L63 PolarHBondContact O-N 3.34Å; L63-H65 VanDerWaalsContact C-N 3.29Å; L63-H65 PolarHBondContact O-N 3.12Å; L63-C66 WeakPolarHBondContact O-CB 3.38Å; L63-C66 PolarHBondContact O-N 2.96Å; L63-C66 VanDerWaalsContact O-N 3.16Å; L63-F67 HydrophobicContact CD2-CE2 3.99Å; L63-F67 HydrophobicContact CG-CD2 4.38Å; L63-F67 HydrophobicContact CG-CE2 3.84Å; L63-F67 WeakPolarHBondContact O-CD2 3.22Å; L63-F67 PolarHBondContact O-N 3.12Å; L63-F67 VanDerWaalsContact O-N 3.15Å; L63-V98 HydrophobicContact CD1-CG1 4.06Å; L63-L99 HydrophobicContact CD1-CD1 3.81Å; L63-L102 HydrophobicContact CD1-CB 4.35Å; L63-L102 HydrophobicContact CD1-CD2 3.58Å; L63-L102 HydrophobicContact CD2-CD2 3.73Å; L63-L102 HydrophobicContact CG-CD2 4.26Å |
| 64 | R | 67 | Low | 63.4 | Low | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | 169.7 | -92.8 | -173.8 | -179.7 | -152.8 | 2 | 112.2 | L17 S61 C66 F67 N68 | L17-R64 HydrophobicContact CD1-CG 3.73Å; L17-R64 HydrophobicContact CD2-CG 4.39Å; S61-R64 PolarHBondContact O-N 3.13Å; R64-C66 VanDerWaalsContact C-N 3.32Å; R64-C66 PolarHBondContact O-N 3.46Å; R64-F67 PolarHBondContact O-N 3.31Å; R64-N68 PolarHBondContact O-N 3.48Å; R64-N68 VanDerWaalsContact O-N 3.07Å; R64-N68 PolarHBondContact O-OD1 2.65Å |
| 65 | H | 65.8 | Low | 62.8 | Low | 88 Ų | 88 | 62.5 Ų | 62.5 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 175.4 | -100.3 | 76.2 | 0 | 0 | 0 | 112.4 | S61 S62 L63 N68 L69 | S61-H65 PolarHBondContact O-N 3.07Å; S62-H65 WeakPolarHBondContact O-CB 3.43Å; S62-H65 PolarHBondContact O-N 3.01Å; S62-H65 VanDerWaalsContact O-N 3.15Å; L63-H65 VanDerWaalsContact C-N 3.29Å; L63-H65 PolarHBondContact O-N 3.12Å; H65-N68 PolarHBondContact O-N 2.63Å; H65-L69 PolarHBondContact O-N 3.21Å |
| 66 | C | 67.3 | Low | 61.7 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 174.1 | -96.8 | 0 | 0 | 0 | 0 | 113.4 | S62 L63 R64 N68 L69 I70 S95 L96 L99 | S62-C66 PolarHBondContact O-N 2.87Å; S62-C66 VanDerWaalsContact O-N 3.09Å; L63-C66 WeakPolarHBondContact O-CB 3.38Å; L63-C66 PolarHBondContact O-N 2.96Å; L63-C66 VanDerWaalsContact O-N 3.16Å; R64-C66 VanDerWaalsContact C-N 3.32Å; R64-C66 PolarHBondContact O-N 3.46Å; C66-N68 VanDerWaalsContact C-N 3.28Å; C66-N68 PolarHBondContact O-N 2.8Å; C66-L69 PolarHBondContact O-N 3.33Å; C66-L69 VanDerWaalsContact O-N 3.15Å; C66-I70 WeakPolarHBondContact O-CD1 3.19Å; C66-I70 VanDerWaalsContact O-CG1 3.31Å; C66-I70 WeakPolarHBondContact O-CG1 3.4Å; C66-I70 PolarHBondContact O-N 3.14Å; C66-S95 PolarHBondContact SG-O 3.4Å; C66-L96 PolarHBondContact SG-N 2.88Å; C66-L99 HydrophobicContact CB-CB 4.2Å; C66-L99 HydrophobicContact CB-CD1 4.18Å; C66-L99 HydrophobicContact CB-CD2 4.09Å; C66-L99 HydrophobicContact CB-CG 4.4Å |
| 67 | F | 67 | Low | 60.4 | Low | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 176.2 | -69.8 | -66.3 | 0 | 0 | 0 | 112.5 | N13 A16 L17 I20 L63 R64 I70 D71 L99 L128 | N13-F67 HydrophobicContact CB-CB 4.25Å; N13-F67 HydrophobicContact CB-CD1 3.99Å; N13-F67 WeakPolarHBondContact CB-O 3.48Å; N13-F67 PolarHBondContact ND2-O 3.3Å; A16-F67 HydrophobicContact CB-CD1 4.17Å; A16-F67 HydrophobicContact CB-CE1 3.67Å; A16-F67 HydrophobicContact CB-CZ 4.24Å; L17-F67 HydrophobicContact CD1-CD2 4.01Å; I20-F67 HydrophobicContact CD1-CD2 4.21Å; I20-F67 HydrophobicContact CD1-CE2 3.23Å; I20-F67 HydrophobicContact CD1-CZ 3.51Å; L63-F67 HydrophobicContact CD2-CE2 3.99Å; L63-F67 HydrophobicContact CG-CD2 4.38Å; L63-F67 HydrophobicContact CG-CE2 3.84Å; L63-F67 WeakPolarHBondContact O-CD2 3.22Å; L63-F67 PolarHBondContact O-N 3.12Å; L63-F67 VanDerWaalsContact O-N 3.15Å; R64-F67 PolarHBondContact O-N 3.31Å; F67-I70 HydrophobicContact CD1-CD1 4.29Å; F67-D71 PolarHBondContact O-N 3.22Å; F67-L99 HydrophobicContact CZ-CD1 4.42Å; F67-L128 HydrophobicContact CE1-CD2 3.77Å; F67-L128 HydrophobicContact CZ-CD2 3.87Å |
| 68 | N | 65.6 | Low | 59.2 | Low | 91 Ų | 91 | 71.8 Ų | 71.8 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 171.6 | -71.1 | 4.8 | 0 | 0 | 0 | 112.5 | R64 H65 C66 D71 C72 | R64-N68 PolarHBondContact O-N 3.48Å; R64-N68 VanDerWaalsContact O-N 3.07Å; R64-N68 PolarHBondContact O-OD1 2.65Å; H65-N68 PolarHBondContact O-N 2.63Å; C66-N68 VanDerWaalsContact C-N 3.28Å; C66-N68 PolarHBondContact O-N 2.8Å; N68-D71 VanDerWaalsContact O-CB 3.29Å; N68-D71 WeakPolarHBondContact O-CB 3.33Å; N68-D71 PolarHBondContact O-N 2.9Å; N68-C72 PolarHBondContact O-N 2.75Å; N68-C72 PolarHBondContact O-SG 3.08Å |
| 69 | L | 62.4 | Low | 58.1 | Low | 29 Ų | 29 | 77.1 Ų | 77.1 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 176.6 | -173.5 | 70.9 | 0 | 0 | 0 | 111.9 | H65 C66 D71 C72 I73 L92 L96 | H65-L69 PolarHBondContact O-N 3.21Å; C66-L69 PolarHBondContact O-N 3.33Å; C66-L69 VanDerWaalsContact O-N 3.15Å; L69-D71 VanDerWaalsContact C-N 3.28Å; L69-D71 PolarHBondContact O-N 3Å; L69-C72 WeakPolarHBondContact O-CB 3.09Å; L69-C72 PolarHBondContact O-N 2.66Å; L69-C72 VanDerWaalsContact O-N 3.15Å; L69-I73 HydrophobicContact CD2-CD1 4.24Å; L69-I73 HydrophobicContact CG-CD1 3.91Å; L69-I73 WeakPolarHBondContact O-CD1 3.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.34Å; L69-I73 PolarHBondContact O-N 2.73Å; L69-L92 HydrophobicContact CB-CD2 4.29Å; L69-L92 HydrophobicContact CD1-CD1 4.4Å; L69-L92 HydrophobicContact CD1-CD2 3.65Å; L69-L92 HydrophobicContact CD2-CD2 3.4Å; L69-L92 HydrophobicContact CG-CD2 3.93Å; L69-L96 HydrophobicContact CD2-CD1 4.38Å; L69-L96 HydrophobicContact CD2-CD2 4.14Å; L69-L96 HydrophobicContact CD2-CG 4.35Å |
| 70 | I | 63.1 | Low | 57 | Low | 21 Ų | 21 | 73.3 Ų | 73.3 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.5 | -69 | 160.3 | 0 | 0 | 0 | 110.9 | N13 C66 F67 I73 G74 L99 I133 L136 | N13-I70 HydrophobicContact CB-CB 4.24Å; N13-I70 HydrophobicContact CB-CG2 3.96Å; C66-I70 WeakPolarHBondContact O-CD1 3.19Å; C66-I70 VanDerWaalsContact O-CG1 3.31Å; C66-I70 WeakPolarHBondContact O-CG1 3.4Å; C66-I70 PolarHBondContact O-N 3.14Å; F67-I70 HydrophobicContact CD1-CD1 4.29Å; I70-I73 PolarHBondContact O-N 3.3Å; I70-G74 PolarHBondContact O-N 3.09Å; I70-L99 HydrophobicContact CD1-CD2 3.97Å; I70-I133 HydrophobicContact CD1-CD1 4.15Å; I70-I133 HydrophobicContact CD1-CG1 4.02Å; I70-I133 HydrophobicContact CD1-CG2 4Å; I70-I133 HydrophobicContact CG1-CG1 4.34Å; I70-I133 HydrophobicContact CG2-CD1 4.09Å; I70-I133 HydrophobicContact CG2-CG1 3.86Å; I70-L136 HydrophobicContact CG1-CD2 3.97Å |
| 71 | D | 59.6 | Low | 56.1 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -54.2 | -53 | 170.6 | -121.1 | -27.8 | 0 | 0 | 0 | 110.1 | P11 N13 Q14 F67 N68 L69 I73 G74 | P11-D71 WeakPolarHBondContact CB-OD1 3.42Å; P11-D71 VanDerWaalsContact CG-OD1 3.26Å; P11-D71 WeakPolarHBondContact CG-OD1 3.42Å; N13-D71 WeakPolarHBondContact ND2-CB 3.48Å; N13-D71 PolarHBondContact ND2-OD2 2.79Å; N13-D71 PolarHBondContact OD1-OD1 2.74Å; Q14-D71 PolarHBondContact NE2-OD2 3.48Å; F67-D71 PolarHBondContact O-N 3.22Å; N68-D71 VanDerWaalsContact O-CB 3.29Å; N68-D71 WeakPolarHBondContact O-CB 3.33Å; N68-D71 PolarHBondContact O-N 2.9Å; L69-D71 VanDerWaalsContact C-N 3.28Å; L69-D71 PolarHBondContact O-N 3Å; D71-I73 PolarHBondContact O-N 3.34Å; D71-G74 PolarHBondContact O-N 3.27Å |
| 72 | C | 53.5 | Low | 54.8 | Low | 87 Ų | 87 | 69.9 Ų | 69.9 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.6 | -3 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 115.7 | N68 L69 | N68-C72 PolarHBondContact O-N 2.75Å; N68-C72 PolarHBondContact O-SG 3.08Å; L69-C72 WeakPolarHBondContact O-CB 3.09Å; L69-C72 PolarHBondContact O-N 2.66Å; L69-C72 VanDerWaalsContact O-N 3.15Å |
| 73 | I | 55.4 | Low | 53.8 | Low | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -108.7 | -24.1 | 179.6 | -67 | 168.3 | 0 | 0 | 0 | 111.3 | L69 I70 D71 R84 L136 | L69-I73 HydrophobicContact CD2-CD1 4.24Å; L69-I73 HydrophobicContact CG-CD1 3.91Å; L69-I73 WeakPolarHBondContact O-CD1 3.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.34Å; L69-I73 PolarHBondContact O-N 2.73Å; I70-I73 PolarHBondContact O-N 3.3Å; D71-I73 PolarHBondContact O-N 3.34Å; I73-R84 HydrophobicContact CG1-CB 4.44Å; I73-R84 PolarHBondContact O-NH1 3.02Å; I73-R84 VanDerWaalsContact O-NH1 3.1Å; I73-L136 HydrophobicContact CD1-CD1 3.48Å; I73-L136 VanDerWaalsContact CD1-CD1 3.48Å; I73-L136 HydrophobicContact CD1-CD2 4.1Å; I73-L136 HydrophobicContact CD1-CG 4.47Å |
| 74 | G | 52 | Low | 53 | Low | 59 Ų | 59 | 76.9 Ų | 76.9 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.9 | -19.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I70 D71 | I70-G74 PolarHBondContact O-N 3.09Å; D71-G74 PolarHBondContact O-N 3.27Å |
| 75 | D | 43.9 | Very low | 52.1 | Low | 120 Ų | 120 | 70.2 Ų | 70.2 | 64% | 0.642 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.6 | 136.3 | 174.6 | -80.1 | -37.9 | 0 | 0 | 0 | 112 | D77 | D75-D77 PolarHBondContact O-N 3.32Š|
| 76 | N | 41.1 | Very low | 51.8 | Low | 167 Ų | 167 | 73 Ų | 73 | 89% | 0.893 | 40% | 0.398 | S | S | * | . | trans | -67.3 | 21.1 | -162.3 | -66.9 | -75.8 | 0 | 0 | 0 | 116.8 | ||||
| 77 | D | 40.3 | Very low | 51 | Low | 123 Ų | 123 | 73.4 Ų | 73.4 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | trans | -71.1 | 128 | -178.9 | -115.8 | 5.4 | 0 | 0 | 0 | 111.8 | D75 K79 R84 | D75-D77 PolarHBondContact O-N 3.32Å; D77-K79 PolarHBondContact O-N 3.46Å; D77-R84 PolarHBondContact O-NH2 2.86Å | ||
| 78 | S | 38.5 | Very low | 50.3 | Low | 124 Ų | 124 | 78.8 Ų | 78.8 | 87% | 0.867 | 44% | 0.436 | S | S | * | . | trans | -76.5 | 31.7 | -164.3 | 67.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 79 | K | 41 | Very low | 50.1 | Low | 121 Ų | 121 | 80.4 Ų | 80.4 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -84 | 143.7 | 171.5 | -88.3 | -178.2 | 163.6 | -88.6 | 0 | 110.5 | D77 I81 E83 | D77-K79 PolarHBondContact O-N 3.46Å; K79-I81 PolarHBondContact O-N 3.08Å; K79-E83 WeakPolarHBondContact CD-OE2 3.35Å; K79-E83 VanDerWaalsContact CG-OE2 3.29Å; K79-E83 WeakPolarHBondContact CG-OE2 3.21Å; K79-E83 VanDerWaalsContact NZ-CD 3.29Å; K79-E83 IonicContact NZ-OE1 2.8Å; K79-E83 PolarHBondContact NZ-OE1 3.06Å; K79-E83 IonicContact NZ-OE2 2.77Å; K79-E83 PolarHBondContact NZ-OE2 3.31Å |
| 80 | S | 47.5 | Very low | 50.3 | Low | 67 Ų | 67 | 84.6 Ų | 84.6 | 47% | 0.469 | 46% | 0.459 | S | S | . | . | trans | -61.3 | 137.5 | 177.6 | 80.9 | 0 | 0 | 0 | 0 | 110.3 | I82 E83 | S80-I82 PolarHBondContact O-N 3.22Å; S80-E83 PolarHBondContact O-N 3.27Å | ||
| 81 | I | 47.4 | Very low | 50.4 | Low | 65 Ų | 65 | 88.4 Ų | 88.4 | 33% | 0.333 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -48.6 | -37.1 | 178 | -87.5 | 175.1 | 0 | 0 | 0 | 111.2 | K79 E83 R84 L85 | K79-I81 PolarHBondContact O-N 3.08Å; I81-E83 PolarHBondContact O-N 3.14Å; I81-R84 PolarHBondContact O-N 2.92Å; I81-L85 HydrophobicContact CG2-CD1 3.38Å; I81-L85 WeakPolarHBondContact O-CB 3.28Å; I81-L85 WeakPolarHBondContact O-CD1 3.4Å; I81-L85 PolarHBondContact O-N 3.3Å |
| 82 | I | 40.9 | Very low | 50.4 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 33% | 0.333 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 178.3 | -59 | 177.9 | 0 | 0 | 0 | 113.5 | S80 R84 L85 | S80-I82 PolarHBondContact O-N 3.22Å; I82-R84 PolarHBondContact O-N 2.8Å; I82-L85 WeakPolarHBondContact O-CB 3.24Å; I82-L85 PolarHBondContact O-N 3.1Å; I82-L85 VanDerWaalsContact O-N 3.12Å |
| 83 | E | 43.6 | Very low | 51 | Low | 112 Ų | 112 | 88.3 Ų | 88.3 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 178.2 | -76.9 | -167.1 | 131.5 | 0 | 0 | 112.3 | K79 S80 I81 L85 | K79-E83 WeakPolarHBondContact CD-OE2 3.35Å; K79-E83 VanDerWaalsContact CG-OE2 3.29Å; K79-E83 WeakPolarHBondContact CG-OE2 3.21Å; K79-E83 VanDerWaalsContact NZ-CD 3.29Å; K79-E83 IonicContact NZ-OE1 2.8Å; K79-E83 PolarHBondContact NZ-OE1 3.06Å; K79-E83 IonicContact NZ-OE2 2.77Å; K79-E83 PolarHBondContact NZ-OE2 3.31Å; S80-E83 PolarHBondContact O-N 3.27Å; I81-E83 PolarHBondContact O-N 3.14Å; E83-L85 PolarHBondContact O-N 2.8Å |
| 84 | R | 49.4 | Very low | 51.5 | Low | 61 Ų | 61 | 90.9 Ų | 90.9 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.7 | -17.1 | 174.9 | -62.4 | -176.2 | 178.9 | 158.4 | -6 | 111.9 | I73 D77 I81 I82 | I73-R84 HydrophobicContact CG1-CB 4.44Å; I73-R84 PolarHBondContact O-NH1 3.02Å; I73-R84 VanDerWaalsContact O-NH1 3.1Å; D77-R84 PolarHBondContact O-NH2 2.86Å; I81-R84 PolarHBondContact O-N 2.92Å; I82-R84 PolarHBondContact O-N 2.8Å |
| 85 | L | 49.9 | Very low | 52.2 | Low | 3 Ų | 3 | 88.1 Ų | 88.1 | 2% | 0.016 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.2 | -170.6 | -101.6 | 155.4 | 0 | 0 | 0 | 116.7 | I81 I82 E83 P87 L136 A139 I143 | I81-L85 HydrophobicContact CG2-CD1 3.38Å; I81-L85 WeakPolarHBondContact O-CB 3.28Å; I81-L85 WeakPolarHBondContact O-CD1 3.4Å; I81-L85 PolarHBondContact O-N 3.3Å; I82-L85 WeakPolarHBondContact O-CB 3.24Å; I82-L85 PolarHBondContact O-N 3.1Å; I82-L85 VanDerWaalsContact O-N 3.12Å; E83-L85 PolarHBondContact O-N 2.8Å; L85-P87 VanDerWaalsContact O-CD 3.22Å; L85-P87 WeakPolarHBondContact O-CD 3.35Å; L85-L136 HydrophobicContact CD1-CD1 3.94Å; L85-L136 HydrophobicContact CD2-CD1 3.69Å; L85-L136 HydrophobicContact CD2-CG 3.98Å; L85-L136 VanDerWaalsContact CD2-O 3.29Å; L85-L136 WeakPolarHBondContact CD2-O 3.11Å; L85-L136 HydrophobicContact CG-CD1 3.62Å; L85-L136 HydrophobicContact CG-CG 4.44Å; L85-A139 HydrophobicContact CB-CB 4.43Å; L85-A139 HydrophobicContact CD1-CB 3.36Å; L85-A139 HydrophobicContact CD2-CB 3.78Å; L85-A139 HydrophobicContact CG-CB 4.03Å; L85-I143 WeakPolarHBondContact O-CD1 3.39Å |
| 86 | R | 57.5 | Low | 53.3 | Low | 148 Ų | 148 | 82.4 Ų | 82.4 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -110.3 | 69.3 | 164.2 | -169.6 | -176.8 | -78.4 | -172.5 | -8.2 | 110.2 | ||
| 87 | P | 51.9 | Low | 54.8 | Low | 9 Ų | 9 | 79.5 Ų | 79.5 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | trans | -56.4 | 128.3 | 179 | -24.1 | 32.5 | 0 | 0 | 0 | 111.4 | L85 Q89 L92 R93 L96 | L85-P87 VanDerWaalsContact O-CD 3.22Å; L85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-Q89 VanDerWaalsContact C-N 3.28Å; P87-Q89 PolarHBondContact O-N 2.86Å; P87-L92 HydrophobicContact CB-CB 3.63Å; P87-L92 HydrophobicContact CB-CD1 4.19Å; P87-L92 HydrophobicContact CB-CD2 4.28Å; P87-L92 HydrophobicContact CB-CG 4.25Å; P87-L92 HydrophobicContact CG-CB 4.21Å; P87-L92 HydrophobicContact CG-CD2 4.11Å; P87-R93 HydrophobicContact CB-CG 4.44Å; P87-R93 PolarHBondContact O-NE 2.9Å; P87-R93 PolarHBondContact O-NH2 2.71Å; P87-L96 HydrophobicContact CG-CD1 3.99Å | ||
| 88 | P | 52.9 | Low | 56.3 | Low | 113 Ų | 113 | 74.3 Ų | 74.3 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.2 | -38.4 | 179.2 | 23.6 | -32 | 0 | 0 | 0 | 111 | R93 | P88-R93 PolarHBondContact O-NH2 3.27Š|
| 89 | Q | 60.7 | Low | 57.9 | Low | 126 Ų | 126 | 68.4 Ų | 68.4 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -75.2 | 129 | -175.9 | -66.8 | 173.6 | -13.5 | 0 | 0 | 113.2 | P87 L91 L92 R93 | P87-Q89 VanDerWaalsContact C-N 3.28Å; P87-Q89 PolarHBondContact O-N 2.86Å; Q89-L91 PolarHBondContact O-N 3Å; Q89-L92 HydrophobicContact CB-CB 4.4Å; Q89-L92 WeakPolarHBondContact O-CB 3.34Å; Q89-L92 PolarHBondContact O-N 3.03Å; Q89-L92 VanDerWaalsContact O-N 3.11Å; Q89-R93 PolarHBondContact O-N 3.11Å |
| 90 | Q | 66.1 | Low | 59.5 | Low | 116 Ų | 116 | 63.4 Ų | 63.4 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | -178.6 | -170.2 | 64 | 26.5 | 0 | 0 | 113.5 | L92 R93 N94 | Q90-L92 PolarHBondContact O-N 2.89Å; Q90-L92 VanDerWaalsContact O-N 3.14Å; Q90-R93 PolarHBondContact O-N 3Å; Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.41Å; Q90-N94 VanDerWaalsContact O-CG 3.23Å; Q90-N94 PolarHBondContact O-N 2.63Å; Q90-N94 PolarHBondContact O-OD1 3.39Å |
| 91 | L | 64.8 | Low | 60.7 | Low | 101 Ų | 101 | 62.9 Ų | 62.9 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.3 | -37.1 | 176.7 | -178.3 | 69.3 | 0 | 0 | 0 | 112.2 | Q89 S95 | Q89-L91 PolarHBondContact O-N 3Å; L91-S95 WeakPolarHBondContact O-CB 3.45Å; L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 PolarHBondContact O-OG 2.82Å |
| 92 | L | 60 | Low | 62 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.3 | -39.5 | -175.4 | -122.3 | 165.7 | 0 | 0 | 0 | 111.6 | L69 P87 Q89 Q90 S95 L96 | L69-L92 HydrophobicContact CB-CD2 4.29Å; L69-L92 HydrophobicContact CD1-CD1 4.4Å; L69-L92 HydrophobicContact CD1-CD2 3.65Å; L69-L92 HydrophobicContact CD2-CD2 3.4Å; L69-L92 HydrophobicContact CG-CD2 3.93Å; P87-L92 HydrophobicContact CB-CB 3.63Å; P87-L92 HydrophobicContact CB-CD1 4.19Å; P87-L92 HydrophobicContact CB-CD2 4.28Å; P87-L92 HydrophobicContact CB-CG 4.25Å; P87-L92 HydrophobicContact CG-CB 4.21Å; P87-L92 HydrophobicContact CG-CD2 4.11Å; Q89-L92 HydrophobicContact CB-CB 4.4Å; Q89-L92 WeakPolarHBondContact O-CB 3.34Å; Q89-L92 PolarHBondContact O-N 3.03Å; Q89-L92 VanDerWaalsContact O-N 3.11Å; Q90-L92 PolarHBondContact O-N 2.89Å; Q90-L92 VanDerWaalsContact O-N 3.14Å; L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.03Å; L92-L96 PolarHBondContact O-N 3.4Å; L92-L96 VanDerWaalsContact O-N 3.08Å |
| 93 | R | 65.6 | Low | 63.7 | Low | 101 Ų | 101 | 57 Ų | 57 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 169.6 | -56.1 | -172.3 | -158.8 | 178.2 | 16.6 | 111.7 | P87 P88 Q89 Q90 S95 L96 K97 Y140 | P87-R93 HydrophobicContact CB-CG 4.44Å; P87-R93 PolarHBondContact O-NE 2.9Å; P87-R93 PolarHBondContact O-NH2 2.71Å; P88-R93 PolarHBondContact O-NH2 3.27Å; Q89-R93 PolarHBondContact O-N 3.11Å; Q90-R93 PolarHBondContact O-N 3Å; R93-S95 PolarHBondContact O-N 3.44Å; R93-L96 PolarHBondContact O-N 3.38Å; R93-K97 PolarHBondContact O-N 3.38Å; R93-Y140 HydrophobicContact CB-CE2 4.31Å; R93-Y140 WeakPolarHBondContact O-CE2 3.29Å; R93-Y140 PolarHBondContact O-OH 3.42Å |
| 94 | N | 66.5 | Low | 65.1 | Low | 78 Ų | 78 | 54.6 Ų | 54.6 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 175 | -69.3 | 0.5 | 0 | 0 | 0 | 111.4 | Q90 V98 | Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.41Å; Q90-N94 VanDerWaalsContact O-CG 3.23Å; Q90-N94 PolarHBondContact O-N 2.63Å; Q90-N94 PolarHBondContact O-OD1 3.39Å; N94-V98 WeakPolarHBondContact O-CG2 3.38Å; N94-V98 PolarHBondContact O-N 2.67Å |
| 95 | S | 67.3 | Low | 66.1 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68 | -47.4 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | S62 C66 L91 L92 R93 K97 V98 L99 | S62-S95 WeakPolarHBondContact O-CB 3.35Å; S62-S95 PolarHBondContact O-OG 2.91Å; C66-S95 PolarHBondContact SG-O 3.4Å; L91-S95 WeakPolarHBondContact O-CB 3.45Å; L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 PolarHBondContact O-OG 2.82Å; L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.03Å; R93-S95 PolarHBondContact O-N 3.44Å; S95-K97 VanDerWaalsContact C-N 3.28Å; S95-K97 PolarHBondContact O-N 3Å; S95-V98 WeakPolarHBondContact O-CA 3.47Å; S95-V98 WeakPolarHBondContact O-CB 3.29Å; S95-V98 PolarHBondContact O-N 3.14Å; S95-L99 PolarHBondContact O-N 3.04Å |
| 96 | L | 66.9 | Low | 67.3 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.3 | -72.3 | 168.6 | 0 | 0 | 0 | 112.4 | C66 L69 P87 L92 R93 V98 L99 S100 L136 Y140 | C66-L96 PolarHBondContact SG-N 2.88Å; L69-L96 HydrophobicContact CD2-CD1 4.38Å; L69-L96 HydrophobicContact CD2-CD2 4.14Å; L69-L96 HydrophobicContact CD2-CG 4.35Å; P87-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 PolarHBondContact O-N 3.4Å; L92-L96 VanDerWaalsContact O-N 3.08Å; R93-L96 PolarHBondContact O-N 3.38Å; L96-V98 VanDerWaalsContact C-N 3.32Å; L96-V98 PolarHBondContact O-N 3.31Å; L96-L99 PolarHBondContact O-N 3.06Å; L96-S100 PolarHBondContact O-N 3.25Å; L96-L136 HydrophobicContact CD2-CD2 3.69Å; L96-L136 HydrophobicContact CD2-CG 3.98Å; L96-Y140 HydrophobicContact CB-CD1 4.11Å; L96-Y140 HydrophobicContact CB-CD2 3.37Å; L96-Y140 HydrophobicContact CB-CE1 4.41Å; L96-Y140 HydrophobicContact CB-CE2 3.71Å; L96-Y140 HydrophobicContact CB-CG 3.6Å; L96-Y140 HydrophobicContact CD1-CD2 3.73Å; L96-Y140 HydrophobicContact CD1-CE2 4.46Å; L96-Y140 HydrophobicContact CD1-CG 4.34Å; L96-Y140 HydrophobicContact CG-CD2 4.18Å |
| 97 | K | 72 | Confident | 68.3 | Low | 106 Ų | 106 | 49.3 Ų | 49.3 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 171.1 | -159.3 | -177.9 | -176.2 | -104.1 | 0 | 111.9 | R93 S95 L99 S100 E101 Y140 | R93-K97 PolarHBondContact O-N 3.38Å; S95-K97 VanDerWaalsContact C-N 3.28Å; S95-K97 PolarHBondContact O-N 3Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 2.97Å; K97-S100 PolarHBondContact O-N 3.35Å; K97-S100 VanDerWaalsContact O-N 3.15Å; K97-E101 IonicContact NZ-OE1 3.29Å; K97-E101 PolarHBondContact NZ-OE1 2.97Å; K97-E101 WeakPolarHBondContact O-CB 3.42Å; K97-E101 PolarHBondContact O-N 3.49Å; K97-Y140 HydrophobicContact CB-CE1 4.02Å; K97-Y140 WeakPolarHBondContact CB-OH 3.46Å; K97-Y140 HydrophobicContact CG-CE1 4.33Å |
| 98 | V | 71.7 | Confident | 69.3 | Low | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -31.7 | -179.9 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | Y57 R60 L63 N94 S95 L96 L102 | Y57-V98 HydrophobicContact CE1-CG1 3.58Å; Y57-V98 VanDerWaalsContact CE1-O 3.28Å; Y57-V98 WeakPolarHBondContact CE1-O 3.21Å; Y57-V98 VanDerWaalsContact OH-CA 3.25Å; Y57-V98 WeakPolarHBondContact OH-CA 3Å; Y57-V98 WeakPolarHBondContact OH-CG1 3.35Å; Y57-V98 PolarHBondContact OH-O 2.89Å; R60-V98 HydrophobicContact CB-CG1 4.21Å; L63-V98 HydrophobicContact CD1-CG1 4.06Å; N94-V98 WeakPolarHBondContact O-CG2 3.38Å; N94-V98 PolarHBondContact O-N 2.67Å; S95-V98 WeakPolarHBondContact O-CA 3.47Å; S95-V98 WeakPolarHBondContact O-CB 3.29Å; S95-V98 PolarHBondContact O-N 3.14Å; L96-V98 VanDerWaalsContact C-N 3.32Å; L96-V98 PolarHBondContact O-N 3.31Å; V98-L102 WeakPolarHBondContact O-CB 3.32Å; V98-L102 PolarHBondContact O-N 2.86Å |
| 99 | L | 73.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.1 | -33 | 172.8 | -164.4 | 72.5 | 0 | 0 | 0 | 112.4 | L63 C66 F67 I70 S95 L96 K97 W103 L128 I133 L137 | L63-L99 HydrophobicContact CD1-CD1 3.81Å; C66-L99 HydrophobicContact CB-CB 4.2Å; C66-L99 HydrophobicContact CB-CD1 4.18Å; C66-L99 HydrophobicContact CB-CD2 4.09Å; C66-L99 HydrophobicContact CB-CG 4.4Å; F67-L99 HydrophobicContact CZ-CD1 4.42Å; I70-L99 HydrophobicContact CD1-CD2 3.97Å; S95-L99 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 3.06Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 2.97Å; L99-W103 WeakPolarHBondContact O-CB 3.43Å; L99-W103 PolarHBondContact O-N 3.06Å; L99-L128 HydrophobicContact CD1-CD2 3.96Å; L99-I133 HydrophobicContact CD2-CG2 4.25Å; L99-L137 HydrophobicContact CB-CD2 3.94Å; L99-L137 HydrophobicContact CD2-CD1 4.45Å; L99-L137 HydrophobicContact CD2-CD2 3.89Å; L99-L137 HydrophobicContact CD2-CG 4.26Å; L99-L137 HydrophobicContact CG-CD1 4.41Å; L99-L137 HydrophobicContact CG-CD2 3.92Å |
| 100 | S | 73.8 | Confident | 71 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76 | -37.9 | 178.1 | -158.4 | 0 | 0 | 0 | 0 | 113 | L96 K97 S104 | L96-S100 PolarHBondContact O-N 3.25Å; K97-S100 PolarHBondContact O-N 3.35Å; K97-S100 VanDerWaalsContact O-N 3.15Å; S100-S104 PolarHBondContact O-N 3.27Å; S100-S104 PolarHBondContact O-OG 2.98Å |
| 101 | E | 72.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 43.9 Ų | 43.9 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.9 | -55.8 | 166.7 | -79.5 | 171.7 | -159.3 | 0 | 0 | 109.6 | Y57 R60 K97 W103 S104 D105 | Y57-E101 HydrophobicContact CE2-CB 4.11Å; Y57-E101 WeakPolarHBondContact OH-CB 3.22Å; Y57-E101 PolarHBondContact OH-OE2 3.02Å; R60-E101 IonicContact CZ-OE2 3.65Å; R60-E101 IonicContact NH1-OE2 3.52Å; R60-E101 PolarHBondContact NH1-OE2 3.46Å; K97-E101 IonicContact NZ-OE1 3.29Å; K97-E101 PolarHBondContact NZ-OE1 2.97Å; K97-E101 WeakPolarHBondContact O-CB 3.42Å; K97-E101 PolarHBondContact O-N 3.49Å; E101-W103 VanDerWaalsContact C-N 3.29Å; E101-W103 PolarHBondContact O-N 2.86Å; E101-S104 WeakPolarHBondContact O-CB 3.33Å; E101-S104 PolarHBondContact O-N 2.73Å; E101-D105 PolarHBondContact O-N 3.03Å |
| 102 | L | 74.8 | Confident | 71.8 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.1 | -43.5 | 177.4 | 177.9 | 64.8 | 0 | 0 | 0 | 112.6 | Y57 L58 L63 V98 S104 D105 L106 L128 | Y57-L102 HydrophobicContact CD1-CB 3.96Å; Y57-L102 HydrophobicContact CD1-CD1 3.89Å; Y57-L102 HydrophobicContact CD1-CG 4.42Å; Y57-L102 HydrophobicContact CE1-CB 3.66Å; Y57-L102 HydrophobicContact CE1-CD1 4.47Å; Y57-L102 HydrophobicContact CG-CD1 4.45Å; L58-L102 HydrophobicContact CD2-CD1 3.88Å; L58-L102 HydrophobicContact CD2-CD2 3.73Å; L58-L102 HydrophobicContact CD2-CG 4.49Å; L58-L102 HydrophobicContact CG-CD1 4.47Å; L63-L102 HydrophobicContact CD1-CB 4.35Å; L63-L102 HydrophobicContact CD1-CD2 3.58Å; L63-L102 HydrophobicContact CD2-CD2 3.73Å; L63-L102 HydrophobicContact CG-CD2 4.26Å; V98-L102 WeakPolarHBondContact O-CB 3.32Å; V98-L102 PolarHBondContact O-N 2.86Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.04Å; L102-D105 PolarHBondContact O-N 3.05Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 PolarHBondContact O-N 2.68Å; L102-L128 HydrophobicContact CD2-CD1 4.15Å |
| 103 | W | 76.6 | Confident | 72.1 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 177.4 | 173.8 | -87.5 | 0 | 0 | 0 | 111.3 | L99 E101 E107 Y125 L128 A129 L137 | L99-W103 WeakPolarHBondContact O-CB 3.43Å; L99-W103 PolarHBondContact O-N 3.06Å; E101-W103 VanDerWaalsContact C-N 3.29Å; E101-W103 PolarHBondContact O-N 2.86Å; W103-E107 WeakPolarHBondContact CZ2-OE1 3.32Å; W103-E107 PolarHBondContact NE1-OE2 3.46Å; W103-E107 WeakPolarHBondContact O-CB 3.43Å; W103-E107 PolarHBondContact O-N 3.36Å; W103-Y125 AromaticContact CH2-CD2 3.74Å; W103-Y125 HydrophobicContact CH2-CD2 3.74Å; W103-Y125 HydrophobicContact CH2-CE1 4.4Å; W103-Y125 AromaticContact CH2-CE2 3.2Å; W103-Y125 HydrophobicContact CH2-CE2 3.2Å; W103-Y125 HydrophobicContact CH2-CG 4.5Å; W103-Y125 AromaticContact CH2-CZ 3.6Å; W103-Y125 HydrophobicContact CZ2-CD2 4.29Å; W103-Y125 AromaticContact CZ2-CE2 3.44Å; W103-Y125 HydrophobicContact CZ2-CE2 3.44Å; W103-Y125 VanDerWaalsContact CZ2-CE2 3.44Å; W103-Y125 AromaticContact CZ2-CZ 3.9Å; W103-Y125 AromaticContact CZ3-CD2 3.9Å; W103-Y125 HydrophobicContact CZ3-CD2 3.9Å; W103-Y125 AromaticContact CZ3-CE2 3.85Å; W103-Y125 HydrophobicContact CZ3-CE2 3.85Å; W103-L128 HydrophobicContact CE3-CB 3.8Å; W103-L128 HydrophobicContact CZ3-CB 3.79Å; W103-A129 HydrophobicContact CH2-CB 3.89Å; W103-A129 HydrophobicContact CZ3-CB 4.13Å; W103-L137 HydrophobicContact CB-CD1 3.91Å; W103-L137 HydrophobicContact CD2-CD1 4.46Å; W103-L137 HydrophobicContact CG-CD1 4.16Å |
| 104 | S | 72.4 | Confident | 72.2 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 44% | 0.441 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -44.2 | -178.1 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | S100 E101 L102 E108 | S100-S104 PolarHBondContact O-N 3.27Å; S100-S104 PolarHBondContact O-OG 2.98Å; E101-S104 WeakPolarHBondContact O-CB 3.33Å; E101-S104 PolarHBondContact O-N 2.73Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.04Å; S104-E108 WeakPolarHBondContact O-CB 3.45Å; S104-E108 PolarHBondContact O-N 3.32Å |
| 105 | D | 72.3 | Confident | 72.4 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 179.3 | -59.3 | -36 | 0 | 0 | 0 | 111.5 | F53 E101 L102 F109 | F53-D105 HydrophobicContact CE1-CB 3.87Å; F53-D105 VanDerWaalsContact CE1-OD2 3.29Å; F53-D105 WeakPolarHBondContact CE1-OD2 3.24Å; F53-D105 WeakPolarHBondContact CZ-OD2 3.37Å; E101-D105 PolarHBondContact O-N 3.03Å; L102-D105 PolarHBondContact O-N 3.05Å; D105-F109 VanDerWaalsContact O-CB 3.32Å; D105-F109 WeakPolarHBondContact O-CB 3.36Å; D105-F109 PolarHBondContact O-N 2.7Å |
| 106 | L | 74.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.9 | -40 | 178 | -174.6 | 70.4 | 0 | 0 | 0 | 112.2 | L54 L102 F109 V110 A121 L124 L128 | L54-L106 HydrophobicContact CD2-CD1 4.02Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 PolarHBondContact O-N 2.68Å; L106-F109 PolarHBondContact O-N 2.97Å; L106-V110 HydrophobicContact CD1-CG2 4.34Å; L106-V110 HydrophobicContact CG-CG2 4.42Å; L106-V110 VanDerWaalsContact O-CB 3.28Å; L106-V110 WeakPolarHBondContact O-CB 3.39Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.03Å; L106-A121 HydrophobicContact CD1-CB 4.15Å; L106-L124 HydrophobicContact CD1-CD2 4.47Å; L106-L124 HydrophobicContact CD2-CB 4.3Å; L106-L124 HydrophobicContact CD2-CD2 4.11Å; L106-L124 HydrophobicContact CD2-CG 3.84Å; L106-L128 HydrophobicContact CD2-CD1 3.91Å |
| 107 | E | 78 | Confident | 72.4 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.9 | -174.2 | 163.7 | -131.8 | 0 | 0 | 110.3 | W103 M111 Y125 | W103-E107 WeakPolarHBondContact CZ2-OE1 3.32Å; W103-E107 PolarHBondContact NE1-OE2 3.46Å; W103-E107 WeakPolarHBondContact O-CB 3.43Å; W103-E107 PolarHBondContact O-N 3.36Å; E107-M111 WeakPolarHBondContact O-CB 3.45Å; E107-M111 WeakPolarHBondContact O-CG 3.44Å; E107-M111 PolarHBondContact O-N 3.25Å; E107-Y125 HydrophobicContact CB-CD2 4.4Å; E107-Y125 HydrophobicContact CB-CE2 3.82Å; E107-Y125 HydrophobicContact CG-CE2 3.83Å; E107-Y125 PolarHBondContact OE1-OH 2.83Å |
| 108 | E | 73 | Confident | 72.3 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69 | -35.2 | 174.6 | -179.6 | 152 | -162.3 | 0 | 0 | 113.1 | S104 R112 K695 | S104-E108 WeakPolarHBondContact O-CB 3.45Å; S104-E108 PolarHBondContact O-N 3.32Å; E108-R112 VanDerWaalsContact CG-NH2 3.31Å; E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 2.98Å; E108-R112 IonicContact OE1-CZ 2.76Å; E108-R112 IonicContact OE1-NE 3.82Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.39Å; E108-K695 IonicContact OE1-NZ 3.96Å; E108-K695 PolarHBondContact OE1-NZ 3.31Å; E108-K695 IonicContact OE2-NZ 3.76Å; E108-K695 PolarHBondContact OE2-NZ 2.84Å |
| 109 | F | 75.5 | Confident | 72.1 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -45.4 | 174.2 | -176.5 | -100 | 0 | 0 | 0 | 112.6 | D50 L51 L54 D105 L106 M111 R112 T113 E118 A121 | D50-F109 HydrophobicContact CB-CD2 4.09Å; D50-F109 HydrophobicContact CB-CE2 4.27Å; L51-F109 HydrophobicContact CD1-CE2 4.04Å; L51-F109 HydrophobicContact CD1-CZ 3.63Å; L54-F109 HydrophobicContact CD1-CB 4.34Å; L54-F109 HydrophobicContact CD1-CG 4.38Å; L54-F109 HydrophobicContact CD2-CD1 4.46Å; D105-F109 VanDerWaalsContact O-CB 3.32Å; D105-F109 WeakPolarHBondContact O-CB 3.36Å; D105-F109 PolarHBondContact O-N 2.7Å; L106-F109 PolarHBondContact O-N 2.97Å; F109-M111 VanDerWaalsContact C-N 3.31Å; F109-M111 PolarHBondContact O-N 3.36Å; F109-R112 PolarHBondContact O-N 2.96Å; F109-R112 VanDerWaalsContact O-N 3.17Å; F109-T113 HydrophobicContact CD1-CG2 4.31Å; F109-T113 HydrophobicContact CD2-CG2 4.3Å; F109-T113 HydrophobicContact CE1-CG2 3.95Å; F109-T113 HydrophobicContact CE2-CG2 3.93Å; F109-T113 HydrophobicContact CG-CG2 4.48Å; F109-T113 HydrophobicContact CZ-CG2 3.75Å; F109-T113 PolarHBondContact O-N 2.85Å; F109-T113 PolarHBondContact O-OG1 3.04Å; F109-E118 HydrophobicContact CE1-CB 4.05Å; F109-E118 HydrophobicContact CE1-CG 3.72Å; F109-E118 HydrophobicContact CZ-CG 3.76Å; F109-A121 HydrophobicContact CD1-CB 3.83Å; F109-A121 HydrophobicContact CE1-CB 3.65Å |
| 110 | V | 74.8 | Confident | 71.9 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.109 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.5 | -27.3 | 178.2 | 165.2 | 0 | 0 | 0 | 0 | 112.2 | L106 R112 A121 Y125 | L106-V110 HydrophobicContact CD1-CG2 4.34Å; L106-V110 HydrophobicContact CG-CG2 4.42Å; L106-V110 VanDerWaalsContact O-CB 3.28Å; L106-V110 WeakPolarHBondContact O-CB 3.39Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.03Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.44Å; V110-A121 HydrophobicContact CG2-CB 4.26Å; V110-Y125 HydrophobicContact CG1-CD1 4.23Å; V110-Y125 HydrophobicContact CG1-CG 4.21Å; V110-Y125 HydrophobicContact CG2-CG 4.38Å |
| 111 | M | 73.4 | Confident | 71.8 | Confident | 143 Ų | 143 | 60.9 Ų | 60.9 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.4 | 173 | -71.6 | -77.2 | 177.8 | 0 | 0 | 114.1 | E107 F109 | E107-M111 WeakPolarHBondContact O-CB 3.45Å; E107-M111 WeakPolarHBondContact O-CG 3.44Å; E107-M111 PolarHBondContact O-N 3.25Å; F109-M111 VanDerWaalsContact C-N 3.31Å; F109-M111 PolarHBondContact O-N 3.36Å |
| 112 | R | 72.8 | Confident | 72.1 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -36 | 177.4 | -63.5 | -178.6 | -155.9 | 153.1 | 0.6 | 113.3 | D50 E108 F109 V110 | D50-R112 IonicContact OD2-CZ 3.2Å; D50-R112 IonicContact OD2-NH1 3.21Å; D50-R112 PolarHBondContact OD2-NH1 3.38Å; E108-R112 VanDerWaalsContact CG-NH2 3.31Å; E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 2.98Å; E108-R112 IonicContact OE1-CZ 2.76Å; E108-R112 IonicContact OE1-NE 3.82Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.39Å; F109-R112 PolarHBondContact O-N 2.96Å; F109-R112 VanDerWaalsContact O-N 3.17Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.44Å |
| 113 | T | 66.1 | Low | 72.2 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 23% | 0.233 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -85.3 | 167.2 | 179 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | F109 E118 | F109-T113 HydrophobicContact CD1-CG2 4.31Å; F109-T113 HydrophobicContact CD2-CG2 4.3Å; F109-T113 HydrophobicContact CE1-CG2 3.95Å; F109-T113 HydrophobicContact CE2-CG2 3.93Å; F109-T113 HydrophobicContact CG-CG2 4.48Å; F109-T113 HydrophobicContact CZ-CG2 3.75Å; F109-T113 PolarHBondContact O-N 2.85Å; F109-T113 PolarHBondContact O-OG1 3.04Å; T113-E118 HydrophobicContact CG2-CB 4.48Å; T113-E118 HydrophobicContact CG2-CG 3.98Å |
| 114 | R | 67.4 | Low | 72.1 | Confident | 163 Ų | 163 | 62.2 Ų | 62.2 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | trans | -108.6 | 150.8 | 174 | -52.1 | 175.4 | 165.3 | -172.7 | -4.9 | 110.3 | K116 D117 E118 | R114-K116 PolarHBondContact O-N 3.32Å; R114-D117 VanDerWaalsContact CB-OD2 3.26Å; R114-D117 WeakPolarHBondContact CB-OD2 3.49Å; R114-D117 WeakPolarHBondContact CD-OD2 3.33Å; R114-D117 WeakPolarHBondContact CG-OD2 3.49Å; R114-D117 PolarHBondContact O-N 3.37Å; R114-E118 PolarHBondContact O-N 3.2Å | ||
| 115 | E | 71.9 | Confident | 72.4 | Confident | 111 Ų | 111 | 61.3 Ų | 61.3 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.9 | -179.8 | -168.3 | 176.1 | -162.9 | 0 | 0 | 113.9 | P119 H122 | E115-P119 WeakPolarHBondContact O-CA 3.33Å; E115-P119 WeakPolarHBondContact O-CB 3.47Å; E115-H122 WeakPolarHBondContact CA-NE2 3.3Å; E115-H122 HydrophobicContact CB-CB 4.5Å; E115-H122 HydrophobicContact CG-CB 4Å; E115-H122 PolarHBondContact N-CE1 2.84Å; E115-H122 PolarHBondContact N-NE2 3.45Å; E115-H122 VanDerWaalsContact N-NE2 3.19Å |
| 116 | K | 67.2 | Low | 72.3 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -26.5 | 174.1 | -67.5 | -151 | -176 | -179.2 | 0 | 114.6 | R114 S507 | R114-K116 PolarHBondContact O-N 3.32Å; K116-S507 VanDerWaalsContact CD-OG 3.23Å; K116-S507 WeakPolarHBondContact CD-OG 3.49Å; K116-S507 WeakPolarHBondContact CE-OG 3.4Å; K116-S507 PolarHBondContact NZ-O 3.45Å |
| 117 | D | 67.9 | Low | 72.1 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -39.7 | -176.9 | -48.9 | -29.7 | 0 | 0 | 0 | 108.7 | R114 P119 | R114-D117 VanDerWaalsContact CB-OD2 3.26Å; R114-D117 WeakPolarHBondContact CB-OD2 3.49Å; R114-D117 WeakPolarHBondContact CD-OD2 3.33Å; R114-D117 WeakPolarHBondContact CG-OD2 3.49Å; R114-D117 PolarHBondContact O-N 3.37Å; D117-P119 VanDerWaalsContact C-CD 3.47Å; D117-P119 WeakPolarHBondContact O-CD 3.19Å |
| 118 | E | 68.5 | Low | 71.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -128 | 62.3 | -179.7 | -76.2 | -67.5 | 169.1 | 0 | 0 | 113.1 | F29 L51 F109 T113 R114 H120 A121 H122 | F29-E118 WeakPolarHBondContact CZ-OE1 3.41Å; L51-E118 VanDerWaalsContact CD1-OE1 3.32Å; L51-E118 WeakPolarHBondContact CD1-OE1 3.5Å; F109-E118 HydrophobicContact CE1-CB 4.05Å; F109-E118 HydrophobicContact CE1-CG 3.72Å; F109-E118 HydrophobicContact CZ-CG 3.76Å; T113-E118 HydrophobicContact CG2-CB 4.48Å; T113-E118 HydrophobicContact CG2-CG 3.98Å; R114-E118 PolarHBondContact O-N 3.2Å; E118-H120 VanDerWaalsContact C-N 3.32Å; E118-H120 PolarHBondContact O-N 2.97Å; E118-A121 HydrophobicContact CB-CB 4.13Å; E118-A121 PolarHBondContact O-N 3.36Å; E118-H122 PolarHBondContact O-N 2.74Å; E118-H122 VanDerWaalsContact O-N 3.14Å; E118-H122 PolarHBondContact O-ND1 2.95Å |
| 119 | P | 68.6 | Low | 71.6 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -34.1 | -174.4 | 24.2 | -34.1 | 0 | 0 | 0 | 113.3 | E115 D117 H122 E123 | E115-P119 WeakPolarHBondContact O-CA 3.33Å; E115-P119 WeakPolarHBondContact O-CB 3.47Å; D117-P119 VanDerWaalsContact C-CD 3.47Å; D117-P119 WeakPolarHBondContact O-CD 3.19Å; P119-H122 PolarHBondContact O-N 3.38Å; P119-E123 WeakPolarHBondContact O-CB 3.09Å; P119-E123 PolarHBondContact O-N 3.19Å |
| 120 | H | 68 | Low | 71.3 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78.9 | -27.7 | -179.5 | -69.4 | -45.8 | 0 | 0 | 0 | 113.5 | F23 E118 E123 L124 | F23-H120 HydrophobicContact CD2-CB 3.81Å; F23-H120 HydrophobicContact CE2-CB 4.45Å; E118-H120 VanDerWaalsContact C-N 3.32Å; E118-H120 PolarHBondContact O-N 2.97Å; H120-E123 IonicContact CE1-OE2 3.67Å; H120-E123 IonicContact ND1-OE2 2.79Å; H120-E123 PolarHBondContact ND1-OE2 2.81Å; H120-E123 VanDerWaalsContact ND1-OE2 3.08Å; H120-L124 WeakPolarHBondContact O-CB 3.44Å; H120-L124 PolarHBondContact O-N 3.23Å |
| 121 | A | 71.1 | Confident | 70.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L106 F109 V110 E118 L124 Y125 | L106-A121 HydrophobicContact CD1-CB 4.15Å; F109-A121 HydrophobicContact CD1-CB 3.83Å; F109-A121 HydrophobicContact CE1-CB 3.65Å; V110-A121 HydrophobicContact CG2-CB 4.26Å; E118-A121 HydrophobicContact CB-CB 4.13Å; E118-A121 PolarHBondContact O-N 3.36Å; A121-L124 PolarHBondContact O-N 3.44Å; A121-Y125 WeakPolarHBondContact O-CB 3.4Å; A121-Y125 PolarHBondContact O-N 3.26Å |
| 122 | H | 78.9 | Confident | 69.5 | Low | 31 Ų | 31 | 58.5 Ų | 58.5 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 172.8 | -74.8 | 66.9 | 0 | 0 | 0 | 112 | E115 E118 P119 L124 Y125 D126 | E115-H122 WeakPolarHBondContact CA-NE2 3.3Å; E115-H122 HydrophobicContact CB-CB 4.5Å; E115-H122 HydrophobicContact CG-CB 4Å; E115-H122 PolarHBondContact N-CE1 2.84Å; E115-H122 PolarHBondContact N-NE2 3.45Å; E115-H122 VanDerWaalsContact N-NE2 3.19Å; E118-H122 PolarHBondContact O-N 2.74Å; E118-H122 VanDerWaalsContact O-N 3.14Å; E118-H122 PolarHBondContact O-ND1 2.95Å; P119-H122 PolarHBondContact O-N 3.38Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 2.71Å; H122-Y125 PolarHBondContact O-N 3.4Å; H122-D126 WeakPolarHBondContact O-CB 3.32Å; H122-D126 PolarHBondContact O-N 2.88Å |
| 123 | E | 77.1 | Confident | 69.2 | Low | 54 Ų | 54 | 51.8 Ų | 51.8 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.2 | -175.6 | 179.8 | -164.2 | 0 | 0 | 111.6 | Y15 V19 P119 H120 D126 L127 | Y15-E123 WeakPolarHBondContact CE1-OE1 3.47Å; Y15-E123 PolarHBondContact OH-OE1 2.79Å; V19-E123 HydrophobicContact CG1-CB 4.43Å; V19-E123 HydrophobicContact CG1-CG 4.17Å; V19-E123 HydrophobicContact CG2-CG 4.17Å; P119-E123 WeakPolarHBondContact O-CB 3.09Å; P119-E123 PolarHBondContact O-N 3.19Å; H120-E123 IonicContact CE1-OE2 3.67Å; H120-E123 IonicContact ND1-OE2 2.79Å; H120-E123 PolarHBondContact ND1-OE2 2.81Å; H120-E123 VanDerWaalsContact ND1-OE2 3.08Å; E123-D126 PolarHBondContact O-N 2.88Å; E123-L127 HydrophobicContact CG-CD1 4.22Å; E123-L127 WeakPolarHBondContact O-CB 3.39Å; E123-L127 WeakPolarHBondContact O-CD1 3.36Å; E123-L127 WeakPolarHBondContact O-CG 3.38Å; E123-L127 PolarHBondContact O-N 3.34Å |
| 124 | L | 74.4 | Confident | 69.2 | Low | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.7 | -179.6 | 58.9 | 0 | 0 | 0 | 112.5 | I20 L58 L106 H120 A121 H122 L127 L128 | I20-L124 HydrophobicContact CD1-CD1 3.87Å; I20-L124 HydrophobicContact CD1-CD2 4.49Å; I20-L124 HydrophobicContact CG1-CD1 3.72Å; I20-L124 HydrophobicContact CG1-CD2 3.98Å; L58-L124 HydrophobicContact CD1-CD2 4.26Å; L58-L124 HydrophobicContact CD2-CD2 3.85Å; L106-L124 HydrophobicContact CD1-CD2 4.47Å; L106-L124 HydrophobicContact CD2-CB 4.3Å; L106-L124 HydrophobicContact CD2-CD2 4.11Å; L106-L124 HydrophobicContact CD2-CG 3.84Å; H120-L124 WeakPolarHBondContact O-CB 3.44Å; H120-L124 PolarHBondContact O-N 3.23Å; A121-L124 PolarHBondContact O-N 3.44Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 2.71Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-L128 HydrophobicContact CD1-CD1 4.12Å; L124-L128 HydrophobicContact CD1-CG 4.27Å; L124-L128 HydrophobicContact CG-CD1 4.15Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.36Å |
| 125 | Y | 78.5 | Confident | 68.6 | Low | 43 Ų | 43 | 45.6 Ų | 45.6 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 175.2 | 175.6 | -92.7 | 0 | 0 | 0 | 111.1 | W103 E107 V110 A121 H122 L127 L128 A129 | W103-Y125 AromaticContact CH2-CD2 3.74Å; W103-Y125 HydrophobicContact CH2-CD2 3.74Å; W103-Y125 HydrophobicContact CH2-CE1 4.4Å; W103-Y125 AromaticContact CH2-CE2 3.2Å; W103-Y125 HydrophobicContact CH2-CE2 3.2Å; W103-Y125 HydrophobicContact CH2-CG 4.5Å; W103-Y125 AromaticContact CH2-CZ 3.6Å; W103-Y125 HydrophobicContact CZ2-CD2 4.29Å; W103-Y125 AromaticContact CZ2-CE2 3.44Å; W103-Y125 HydrophobicContact CZ2-CE2 3.44Å; W103-Y125 VanDerWaalsContact CZ2-CE2 3.44Å; W103-Y125 AromaticContact CZ2-CZ 3.9Å; W103-Y125 AromaticContact CZ3-CD2 3.9Å; W103-Y125 HydrophobicContact CZ3-CD2 3.9Å; W103-Y125 AromaticContact CZ3-CE2 3.85Å; W103-Y125 HydrophobicContact CZ3-CE2 3.85Å; E107-Y125 HydrophobicContact CB-CD2 4.4Å; E107-Y125 HydrophobicContact CB-CE2 3.82Å; E107-Y125 HydrophobicContact CG-CE2 3.83Å; E107-Y125 PolarHBondContact OE1-OH 2.83Å; V110-Y125 HydrophobicContact CG1-CD1 4.23Å; V110-Y125 HydrophobicContact CG1-CG 4.21Å; V110-Y125 HydrophobicContact CG2-CG 4.38Å; A121-Y125 WeakPolarHBondContact O-CB 3.4Å; A121-Y125 PolarHBondContact O-N 3.26Å; H122-Y125 PolarHBondContact O-N 3.4Å; Y125-L127 PolarHBondContact O-N 3.23Å; Y125-L128 PolarHBondContact O-N 2.92Å; Y125-L128 VanDerWaalsContact O-N 3.16Å; Y125-A129 WeakPolarHBondContact O-CB 3.46Å; Y125-A129 PolarHBondContact O-N 3Å |
| 126 | D | 70.5 | Confident | 68.3 | Low | 55 Ų | 55 | 40.6 Ų | 40.6 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -24.3 | 178.4 | -151.9 | 58.9 | 0 | 0 | 0 | 112.6 | M1 H122 E123 | M1-D126 WeakPolarHBondContact CA-OD2 3.17Å; M1-D126 VanDerWaalsContact CB-OD2 3.27Å; M1-D126 WeakPolarHBondContact CB-OD2 3.34Å; M1-D126 PolarHBondContact N-OD1 3.31Å; M1-D126 PolarHBondContact N-OD2 3.12Å; H122-D126 WeakPolarHBondContact O-CB 3.32Å; H122-D126 PolarHBondContact O-N 2.88Å; E123-D126 PolarHBondContact O-N 2.88Å |
| 127 | L | 70.7 | Confident | 68.3 | Low | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76 | -47.4 | 169.9 | -86 | 158.9 | 0 | 0 | 0 | 113.6 | R12 Y15 A16 V19 E123 L124 Y125 A129 D130 | R12-L127 HydrophobicContact CG-CD2 4.06Å; Y15-L127 HydrophobicContact CD1-CD1 3.77Å; Y15-L127 HydrophobicContact CD1-CD2 3.79Å; Y15-L127 HydrophobicContact CD1-CG 4.33Å; Y15-L127 HydrophobicContact CE1-CD1 3.93Å; Y15-L127 HydrophobicContact CE1-CD2 4.48Å; A16-L127 HydrophobicContact CB-CB 4.27Å; A16-L127 HydrophobicContact CB-CD1 4.05Å; A16-L127 HydrophobicContact CB-CD2 4.29Å; A16-L127 HydrophobicContact CB-CG 4.46Å; V19-L127 HydrophobicContact CB-CD1 4.37Å; V19-L127 HydrophobicContact CG2-CD1 3.93Å; E123-L127 HydrophobicContact CG-CD1 4.22Å; E123-L127 WeakPolarHBondContact O-CB 3.39Å; E123-L127 WeakPolarHBondContact O-CD1 3.36Å; E123-L127 WeakPolarHBondContact O-CG 3.38Å; E123-L127 PolarHBondContact O-N 3.34Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 2.9Å; Y125-L127 PolarHBondContact O-N 3.23Å; L127-A129 VanDerWaalsContact C-N 3.26Å; L127-A129 PolarHBondContact O-N 3.3Å; L127-D130 PolarHBondContact O-N 3.16Å |
| 128 | L | 71.1 | Confident | 68.1 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.4 | -21.3 | 179 | -72.3 | 173.4 | 0 | 0 | 0 | 112.6 | F67 L99 L102 W103 L106 L124 Y125 D130 I133 | F67-L128 HydrophobicContact CE1-CD2 3.77Å; F67-L128 HydrophobicContact CZ-CD2 3.87Å; L99-L128 HydrophobicContact CD1-CD2 3.96Å; L102-L128 HydrophobicContact CD2-CD1 4.15Å; W103-L128 HydrophobicContact CE3-CB 3.8Å; W103-L128 HydrophobicContact CZ3-CB 3.79Å; L106-L128 HydrophobicContact CD2-CD1 3.91Å; L124-L128 HydrophobicContact CD1-CD1 4.12Å; L124-L128 HydrophobicContact CD1-CG 4.27Å; L124-L128 HydrophobicContact CG-CD1 4.15Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.36Å; Y125-L128 PolarHBondContact O-N 2.92Å; Y125-L128 VanDerWaalsContact O-N 3.16Å; L128-D130 PolarHBondContact O-N 2.83Å; L128-I133 HydrophobicContact CD2-CG2 4.17Å |
| 129 | A | 69.5 | Low | 67.5 | Low | 30 Ų | 30 | 31.4 Ų | 31.4 | 25% | 0.248 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -3.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | W103 Y125 L127 V131 | W103-A129 HydrophobicContact CH2-CB 3.89Å; W103-A129 HydrophobicContact CZ3-CB 4.13Å; Y125-A129 WeakPolarHBondContact O-CB 3.46Å; Y125-A129 PolarHBondContact O-N 3Å; L127-A129 VanDerWaalsContact C-N 3.26Å; L127-A129 PolarHBondContact O-N 3.3Å; A129-V131 PolarHBondContact O-N 2.83Å |
| 130 | D | 68.4 | Low | 67.4 | Low | 27 Ų | 27 | 29.8 Ų | 29.8 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -58.2 | 136.7 | 177 | -172.4 | -107.4 | 0 | 0 | 0 | 112 | R12 L127 L128 H132 I133 R134 | R12-D130 IonicContact CZ-OD2 3.28Å; R12-D130 IonicContact NH1-OD1 2.76Å; R12-D130 IonicContact NH1-OD2 3.2Å; R12-D130 PolarHBondContact NH1-OD2 3.37Å; R12-D130 IonicContact NH2-OD2 2.81Å; R12-D130 PolarHBondContact NH2-OD2 2.89Å; L127-D130 PolarHBondContact O-N 3.16Å; L128-D130 PolarHBondContact O-N 2.83Å; D130-H132 PolarHBondContact O-N 3.08Å; D130-H132 IonicContact OD1-CE1 3.2Å; D130-H132 IonicContact OD1-CG 3.81Å; D130-H132 PolarHBondContact OD1-N 3.39Å; D130-H132 IonicContact OD1-ND1 3.32Å; D130-H132 PolarHBondContact OD1-ND1 2.86Å; D130-I133 HydrophobicContact CB-CD1 4.3Å; D130-I133 HydrophobicContact CB-CG1 4.41Å; D130-I133 PolarHBondContact O-N 2.87Å; D130-R134 WeakPolarHBondContact O-CB 3.3Å; D130-R134 PolarHBondContact O-N 2.93Å |
| 131 | V | 54.2 | Low | 67.2 | Low | 55 Ų | 55 | 28.8 Ų | 28.8 | 33% | 0.333 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -52.3 | -38.5 | -170.6 | 67 | 0 | 0 | 0 | 0 | 113.3 | A129 R134 E135 | A129-V131 PolarHBondContact O-N 2.83Å; V131-R134 PolarHBondContact O-N 2.75Å; V131-E135 HydrophobicContact CG2-CG 4.49Å; V131-E135 VanDerWaalsContact O-CB 3.29Å; V131-E135 WeakPolarHBondContact O-CB 3.26Å; V131-E135 VanDerWaalsContact O-CG 3.27Å; V131-E135 WeakPolarHBondContact O-CG 3.26Å; V131-E135 PolarHBondContact O-N 2.86Å |
| 132 | H | 56.3 | Low | 66.3 | Low | 112 Ų | 112 | 29.8 Ų | 29.8 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -73 | -39.5 | -178.6 | -45.7 | 91.2 | 0 | 0 | 0 | 112.2 | D130 L136 | D130-H132 PolarHBondContact O-N 3.08Å; D130-H132 IonicContact OD1-CE1 3.2Å; D130-H132 IonicContact OD1-CG 3.81Å; D130-H132 PolarHBondContact OD1-N 3.39Å; D130-H132 IonicContact OD1-ND1 3.32Å; D130-H132 PolarHBondContact OD1-ND1 2.86Å; H132-L136 WeakPolarHBondContact O-CB 3.3Å; H132-L136 PolarHBondContact O-N 2.85Å |
| 133 | I | 66.3 | Low | 65.2 | Low | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -41.1 | 174.8 | -57.1 | 176.9 | 0 | 0 | 0 | 109.6 | I70 L99 L128 D130 L136 L137 | I70-I133 HydrophobicContact CD1-CD1 4.15Å; I70-I133 HydrophobicContact CD1-CG1 4.02Å; I70-I133 HydrophobicContact CD1-CG2 4Å; I70-I133 HydrophobicContact CG1-CG1 4.34Å; I70-I133 HydrophobicContact CG2-CD1 4.09Å; I70-I133 HydrophobicContact CG2-CG1 3.86Å; L99-I133 HydrophobicContact CD2-CG2 4.25Å; L128-I133 HydrophobicContact CD2-CG2 4.17Å; D130-I133 HydrophobicContact CB-CD1 4.3Å; D130-I133 HydrophobicContact CB-CG1 4.41Å; D130-I133 PolarHBondContact O-N 2.87Å; I133-L136 VanDerWaalsContact O-CB 3.25Å; I133-L136 WeakPolarHBondContact O-CB 3.35Å; I133-L136 PolarHBondContact O-N 3.39Å; I133-L137 HydrophobicContact CG2-CD1 4.45Å; I133-L137 WeakPolarHBondContact O-CG 3.35Å; I133-L137 PolarHBondContact O-N 2.9Å |
| 134 | R | 66.7 | Low | 64.3 | Low | 32 Ų | 32 | 30.1 Ų | 30.1 | 12% | 0.121 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 178.7 | -154.6 | 173.8 | -174.1 | -151.1 | 11.9 | 110.9 | D130 V131 L137 V138 D702 A703 | D130-R134 WeakPolarHBondContact O-CB 3.3Å; D130-R134 PolarHBondContact O-N 2.93Å; V131-R134 PolarHBondContact O-N 2.75Å; R134-L137 PolarHBondContact O-N 3Å; R134-V138 WeakPolarHBondContact O-CG2 3.26Å; R134-V138 PolarHBondContact O-N 3.05Å; R134-D702 IonicContact CZ-OD2 3.81Å; R134-D702 PolarHBondContact NH1-O 3.01Å; R134-D702 IonicContact NH1-OD2 3.61Å; R134-D702 PolarHBondContact NH1-OD2 3.29Å; R134-D702 IonicContact NH2-OD2 3.65Å; R134-A703 HydrophobicContact CB-CB 4.45Å; R134-A703 HydrophobicContact CG-CB 4.25Å |
| 135 | E | 55.7 | Low | 63.4 | Low | 39 Ų | 39 | 34.2 Ų | 34.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 171 | -79.8 | -174.7 | -171.6 | 0 | 0 | 112.5 | V131 L137 V138 A139 A703 S704 | V131-E135 HydrophobicContact CG2-CG 4.49Å; V131-E135 VanDerWaalsContact O-CB 3.29Å; V131-E135 WeakPolarHBondContact O-CB 3.26Å; V131-E135 VanDerWaalsContact O-CG 3.27Å; V131-E135 WeakPolarHBondContact O-CG 3.26Å; V131-E135 PolarHBondContact O-N 2.86Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 3.25Å; E135-V138 PolarHBondContact O-N 2.8Å; E135-A139 PolarHBondContact O-N 2.94Å; E135-A703 HydrophobicContact CG-CB 4.16Å; E135-S704 WeakPolarHBondContact OE1-CA 3.33Å; E135-S704 WeakPolarHBondContact OE1-CB 3.49Å; E135-S704 PolarHBondContact OE1-N 2.78Å |
| 136 | L | 65.3 | Low | 61.8 | Low | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.3 | -47 | 174.2 | -156.4 | 75.3 | 0 | 0 | 0 | 111.6 | I70 I73 L85 L96 H132 I133 Y140 | I70-L136 HydrophobicContact CG1-CD2 3.97Å; I73-L136 HydrophobicContact CD1-CD1 3.48Å; I73-L136 VanDerWaalsContact CD1-CD1 3.48Å; I73-L136 HydrophobicContact CD1-CD2 4.1Å; I73-L136 HydrophobicContact CD1-CG 4.47Å; L85-L136 HydrophobicContact CD1-CD1 3.94Å; L85-L136 HydrophobicContact CD2-CD1 3.69Å; L85-L136 HydrophobicContact CD2-CG 3.98Å; L85-L136 VanDerWaalsContact CD2-O 3.29Å; L85-L136 WeakPolarHBondContact CD2-O 3.11Å; L85-L136 HydrophobicContact CG-CD1 3.62Å; L85-L136 HydrophobicContact CG-CG 4.44Å; L96-L136 HydrophobicContact CD2-CD2 3.69Å; L96-L136 HydrophobicContact CD2-CG 3.98Å; H132-L136 WeakPolarHBondContact O-CB 3.3Å; H132-L136 PolarHBondContact O-N 2.85Å; I133-L136 VanDerWaalsContact O-CB 3.25Å; I133-L136 WeakPolarHBondContact O-CB 3.35Å; I133-L136 PolarHBondContact O-N 3.39Å; L136-Y140 WeakPolarHBondContact O-CB 3.28Å; L136-Y140 PolarHBondContact O-N 3.3Å |
| 137 | L | 67.6 | Low | 60.4 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.9 | -72.1 | 176.2 | 0 | 0 | 0 | 113.1 | L99 W103 I133 R134 E135 D141 | L99-L137 HydrophobicContact CB-CD2 3.94Å; L99-L137 HydrophobicContact CD2-CD1 4.45Å; L99-L137 HydrophobicContact CD2-CD2 3.89Å; L99-L137 HydrophobicContact CD2-CG 4.26Å; L99-L137 HydrophobicContact CG-CD1 4.41Å; L99-L137 HydrophobicContact CG-CD2 3.92Å; W103-L137 HydrophobicContact CB-CD1 3.91Å; W103-L137 HydrophobicContact CD2-CD1 4.46Å; W103-L137 HydrophobicContact CG-CD1 4.16Å; I133-L137 HydrophobicContact CG2-CD1 4.45Å; I133-L137 WeakPolarHBondContact O-CG 3.35Å; I133-L137 PolarHBondContact O-N 2.9Å; R134-L137 PolarHBondContact O-N 3Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 3.25Å; L137-D141 WeakPolarHBondContact O-CB 3.45Å; L137-D141 PolarHBondContact O-N 2.85Å; L137-D141 VanDerWaalsContact O-N 3.09Å |
| 138 | V | 62.3 | Low | 58.7 | Low | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.8 | -45.8 | 174.1 | 109.2 | 0 | 0 | 0 | 0 | 111.5 | R134 E135 Y140 D141 D142 A703 R707 | R134-V138 WeakPolarHBondContact O-CG2 3.26Å; R134-V138 PolarHBondContact O-N 3.05Å; E135-V138 PolarHBondContact O-N 2.8Å; V138-Y140 VanDerWaalsContact C-N 3.29Å; V138-Y140 PolarHBondContact O-N 3.13Å; V138-D141 PolarHBondContact O-N 2.83Å; V138-D142 WeakPolarHBondContact O-CB 3.41Å; V138-D142 PolarHBondContact O-N 2.8Å; V138-A703 HydrophobicContact CG2-CB 4.35Å; V138-R707 VanDerWaalsContact CB-NH2 3.28Å |
| 139 | A | 56.1 | Low | 56.7 | Low | 10 Ų | 10 | 52.2 Ų | 52.2 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L85 E135 I143 | L85-A139 HydrophobicContact CB-CB 4.43Å; L85-A139 HydrophobicContact CD1-CB 3.36Å; L85-A139 HydrophobicContact CD2-CB 3.78Å; L85-A139 HydrophobicContact CG-CB 4.03Å; E135-A139 PolarHBondContact O-N 2.94Å; A139-I143 VanDerWaalsContact O-CB 3.3Å; A139-I143 WeakPolarHBondContact O-CB 3.39Å; A139-I143 WeakPolarHBondContact O-CD1 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.45Å |
| 140 | Y | 67.7 | Low | 54.9 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 11% | 0.114 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 169.4 | 179.2 | -96.4 | 0 | 0 | 0 | 112.3 | R93 L96 K97 L136 V138 I143 A144 | R93-Y140 HydrophobicContact CB-CE2 4.31Å; R93-Y140 WeakPolarHBondContact O-CE2 3.29Å; R93-Y140 PolarHBondContact O-OH 3.42Å; L96-Y140 HydrophobicContact CB-CD1 4.11Å; L96-Y140 HydrophobicContact CB-CD2 3.37Å; L96-Y140 HydrophobicContact CB-CE1 4.41Å; L96-Y140 HydrophobicContact CB-CE2 3.71Å; L96-Y140 HydrophobicContact CB-CG 3.6Å; L96-Y140 HydrophobicContact CD1-CD2 3.73Å; L96-Y140 HydrophobicContact CD1-CE2 4.46Å; L96-Y140 HydrophobicContact CD1-CG 4.34Å; L96-Y140 HydrophobicContact CG-CD2 4.18Å; K97-Y140 HydrophobicContact CB-CE1 4.02Å; K97-Y140 WeakPolarHBondContact CB-OH 3.46Å; K97-Y140 HydrophobicContact CG-CE1 4.33Å; L136-Y140 WeakPolarHBondContact O-CB 3.28Å; L136-Y140 PolarHBondContact O-N 3.3Å; V138-Y140 VanDerWaalsContact C-N 3.29Å; V138-Y140 PolarHBondContact O-N 3.13Å; Y140-I143 PolarHBondContact O-N 2.85Å; Y140-A144 HydrophobicContact CE1-CB 4.07Å; Y140-A144 VanDerWaalsContact O-CB 3.3Å; Y140-A144 WeakPolarHBondContact O-CB 3.26Å; Y140-A144 PolarHBondContact O-N 3.38Å |
| 141 | D | 62.1 | Low | 53 | Low | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | -178 | -173 | 51.3 | 0 | 0 | 0 | 112.3 | L137 V138 I143 A144 N145 | L137-D141 WeakPolarHBondContact O-CB 3.45Å; L137-D141 PolarHBondContact O-N 2.85Å; L137-D141 VanDerWaalsContact O-N 3.09Å; V138-D141 PolarHBondContact O-N 2.83Å; D141-I143 VanDerWaalsContact C-N 3.33Å; D141-I143 PolarHBondContact O-N 2.69Å; D141-A144 PolarHBondContact O-N 3.1Å; D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 3.28Å; D141-N145 PolarHBondContact O-ND2 2.81Å; D141-N145 PolarHBondContact OD1-ND2 3.37Å |
| 142 | D | 53.8 | Low | 51.7 | Low | 22 Ų | 22 | 63.2 Ų | 63.2 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70 | -27.2 | 174.5 | -71.5 | -36.4 | 0 | 0 | 0 | 112.2 | V138 R147 Y148 | V138-D142 WeakPolarHBondContact O-CB 3.41Å; V138-D142 PolarHBondContact O-N 2.8Å; D142-R147 HydrophobicContact CB-CB 4.24Å; D142-R147 WeakPolarHBondContact O-CB 3.3Å; D142-R147 PolarHBondContact O-N 3.46Å; D142-R147 WeakPolarHBondContact OD1-CD 3.39Å; D142-R147 IonicContact OD1-CZ 2.75Å; D142-R147 IonicContact OD1-NE 3.88Å; D142-R147 IonicContact OD1-NH1 2.73Å; D142-R147 PolarHBondContact OD1-NH1 3.3Å; D142-Y148 HydrophobicContact CB-CD2 3.91Å; D142-Y148 HydrophobicContact CB-CE2 3.45Å; D142-Y148 VanDerWaalsContact CB-CE2 3.45Å; D142-Y148 PolarHBondContact O-N 2.97Å |
| 143 | I | 55.8 | Low | 50.1 | Low | 48 Ų | 48 | 68.3 Ų | 68.3 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.9 | -46 | 167.3 | -73 | 167.3 | 0 | 0 | 0 | 110.7 | L85 A139 Y140 D141 Y146 Y148 | L85-I143 WeakPolarHBondContact O-CD1 3.39Å; A139-I143 VanDerWaalsContact O-CB 3.3Å; A139-I143 WeakPolarHBondContact O-CB 3.39Å; A139-I143 WeakPolarHBondContact O-CD1 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.45Å; Y140-I143 PolarHBondContact O-N 2.85Å; D141-I143 VanDerWaalsContact C-N 3.33Å; D141-I143 PolarHBondContact O-N 2.69Å; I143-Y146 PolarHBondContact O-N 3.45Å; I143-Y146 VanDerWaalsContact O-N 3.15Å; I143-Y148 HydrophobicContact CG1-CD2 3.75Å; I143-Y148 HydrophobicContact CG1-CE2 4.35Å |
| 144 | A | 57.2 | Low | 48.2 | Very low | 44 Ų | 44 | 75.5 Ų | 75.5 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.9 | -33.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y140 D141 Y146 | Y140-A144 HydrophobicContact CE1-CB 4.07Å; Y140-A144 VanDerWaalsContact O-CB 3.3Å; Y140-A144 WeakPolarHBondContact O-CB 3.26Å; Y140-A144 PolarHBondContact O-N 3.38Å; D141-A144 PolarHBondContact O-N 3.1Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 PolarHBondContact O-N 3.13Å |
| 145 | N | 55.1 | Low | 46.1 | Very low | 89 Ų | 89 | 81.4 Ų | 81.4 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 15.4 | 173.2 | -65.3 | -73.7 | 0 | 0 | 0 | 113.1 | D141 R147 | D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 3.28Å; D141-N145 PolarHBondContact O-ND2 2.81Å; D141-N145 PolarHBondContact OD1-ND2 3.37Å; N145-R147 HydrophobicContact CB-CG 4.4Å; N145-R147 PolarHBondContact O-N 2.87Å |
| 146 | Y | 45.6 | Very low | 44.6 | Very low | 190 Ų | 190 | 86.3 Ų | 86.3 | 75% | 0.745 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.9 | 179 | -59.1 | -90.2 | 0 | 0 | 0 | 115.3 | I143 A144 Y148 V149 | I143-Y146 PolarHBondContact O-N 3.45Å; I143-Y146 VanDerWaalsContact O-N 3.15Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 PolarHBondContact O-N 3.13Å; Y146-Y148 PolarHBondContact O-N 2.95Å; Y146-V149 WeakPolarHBondContact O-CG2 3.29Å; Y146-V149 PolarHBondContact O-N 3.04Å |
| 147 | R | 41.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | trans | -68.6 | -24.3 | 177.8 | -70 | 170.4 | 169.1 | 169.9 | 1.8 | 112.4 | D142 N145 V149 | D142-R147 HydrophobicContact CB-CB 4.24Å; D142-R147 WeakPolarHBondContact O-CB 3.3Å; D142-R147 PolarHBondContact O-N 3.46Å; D142-R147 WeakPolarHBondContact OD1-CD 3.39Å; D142-R147 IonicContact OD1-CZ 2.75Å; D142-R147 IonicContact OD1-NE 3.88Å; D142-R147 IonicContact OD1-NH1 2.73Å; D142-R147 PolarHBondContact OD1-NH1 3.3Å; N145-R147 HydrophobicContact CB-CG 4.4Å; N145-R147 PolarHBondContact O-N 2.87Å; R147-V149 VanDerWaalsContact C-N 3.27Å; R147-V149 PolarHBondContact O-N 2.82Å | ||
| 148 | Y | 34.9 | Very low | 40.5 | Very low | 69 Ų | 69 | 100.9 Ų | 100.9 | 27% | 0.271 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -85.8 | 68.7 | 160 | -62.5 | -67.8 | 0 | 0 | 0 | 110.8 | D142 I143 Y146 N150 | D142-Y148 HydrophobicContact CB-CD2 3.91Å; D142-Y148 HydrophobicContact CB-CE2 3.45Å; D142-Y148 VanDerWaalsContact CB-CE2 3.45Å; D142-Y148 PolarHBondContact O-N 2.97Å; I143-Y148 HydrophobicContact CG1-CD2 3.75Å; I143-Y148 HydrophobicContact CG1-CE2 4.35Å; Y146-Y148 PolarHBondContact O-N 2.95Å; Y148-N150 PolarHBondContact O-N 3.26Å |
| 149 | V | 29 | Very low | 38.8 | Very low | 95 Ų | 95 | 105.9 Ų | 105.9 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | trans | -63.9 | 107.3 | 163.4 | -172.5 | 0 | 0 | 0 | 0 | 107.5 | Y146 R147 S965 | Y146-V149 WeakPolarHBondContact O-CG2 3.29Å; Y146-V149 PolarHBondContact O-N 3.04Å; R147-V149 VanDerWaalsContact C-N 3.27Å; R147-V149 PolarHBondContact O-N 2.82Å; V149-S965 WeakPolarHBondContact O-CB 3.34Å | ||
| 150 | N | 32.1 | Very low | 37.2 | Very low | 73 Ų | 73 | 113.7 Ų | 113.7 | 39% | 0.39 | 57% | 0.565 | S | S | . | * | trans | -135.6 | 137.9 | 160.4 | -98.1 | -32.3 | 0 | 0 | 0 | 106.4 | Y148 S961 | Y148-N150 PolarHBondContact O-N 3.26Å; N150-S961 PolarHBondContact ND2-O 3.33Å | ||
| 151 | E | 28.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 60% | 0.603 | 60% | 0.602 | S | S | * | * | trans | -72.6 | 169.4 | -161.1 | -59.4 | 175.3 | 121.8 | 0 | 0 | 113.2 | K784 | E151-K784 IonicContact OE1-NZ 3.26Å; E151-K784 PolarHBondContact OE1-NZ 3.39Å; E151-K784 IonicContact OE2-NZ 3.99Å; E151-K784 PolarHBondContact OE2-NZ 3.4Å | ||
| 152 | D | 25.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | trans | 60.1 | 98.7 | 165.2 | -56.8 | -26.3 | 0 | 0 | 0 | 119.4 | ||||
| 153 | F | 24.1 | Very low | 32.3 | Very low | 218 Ų | 218 | 131.2 Ų | 131.2 | 96% | 0.956 | 66% | 0.655 | S | S | * | * | -153.5 | 116.5 | 122.4 | -100.2 | -66.7 | 0 | 0 | 0 | 111.2 | L155 | F153-L155 PolarHBondContact O-N 3.31Š| |||
| 154 | N | 25.5 | Very low | 31 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | trans | -66.2 | 123.8 | 176 | -87.8 | -55.1 | 0 | 0 | 0 | 112.2 | ||||
| 155 | L | 22.7 | Very low | 29.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -148.2 | 118.9 | 152 | -83.8 | -172.5 | 0 | 0 | 0 | 112.5 | F153 | F153-L155 PolarHBondContact O-N 3.31Š| ||
| 156 | I | 24.2 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | trans | 68.6 | 90.8 | 152.2 | -50 | 171.1 | 0 | 0 | 0 | 116.9 | ||||
| 157 | I | 23.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | trans | 13.1 | 110.1 | 130.2 | -50.3 | 172.7 | 0 | 0 | 0 | 115.8 | ||||
| 158 | I | 24.2 | Very low | 26.2 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -115.7 | 136.3 | 147.1 | -64.3 | 179.2 | 0 | 0 | 0 | 104.5 | ||||
| 159 | P | 25.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | trans | -66.1 | 156.2 | -163 | 25 | -35.5 | 0 | 0 | 0 | 114 | E161 | P159-E161 PolarHBondContact O-N 3.39Š| ||
| 160 | F | 23.2 | Very low | 25.5 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | trans | -57.2 | 131.2 | 162.6 | -88.4 | -116.4 | 0 | 0 | 0 | 109.8 | D162 | F160-D162 VanDerWaalsContact CD1-OD1 3.26Å; F160-D162 WeakPolarHBondContact CD1-OD1 3.47Å | ||
| 161 | E | 26.6 | Very low | 25.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -93.5 | 105.7 | 140.3 | -74.4 | -170.7 | 150.2 | 0 | 0 | 106.5 | P159 N163 | P159-E161 PolarHBondContact O-N 3.39Å; E161-N163 PolarHBondContact O-N 2.88Å | ||
| 162 | D | 25.8 | Very low | 25.4 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | trans | -66 | 114.2 | 174.7 | -72.9 | -60.7 | 0 | 0 | 0 | 110.2 | F160 | F160-D162 VanDerWaalsContact CD1-OD1 3.26Å; F160-D162 WeakPolarHBondContact CD1-OD1 3.47Å | ||
| 163 | N | 27.6 | Very low | 25.6 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -133.6 | 108.5 | 153.6 | -95.8 | -73.7 | 0 | 0 | 0 | 107.6 | E161 | E161-N163 PolarHBondContact O-N 2.88Š| ||
| 164 | D | 28.2 | Very low | 26 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | -91.5 | 166.9 | -151.6 | -142.7 | -12.6 | 0 | 0 | 0 | 113.6 | ||||
| 165 | Q | 28 | Very low | 26.2 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | 8.8 | 144.5 | 144.1 | -74.1 | 169.7 | 81.5 | 0 | 0 | 119 | ||||
| 166 | L | 25.3 | Very low | 26.6 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | cis | 169.8 | 161.8 | 1.7 | -117.3 | 175.3 | 0 | 0 | 0 | 105.3 | ||||
| 167 | L | 23.7 | Very low | 26.8 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | 52.4 | 156.8 | 148.3 | -130.8 | 71.4 | 0 | 0 | 0 | 122.9 | ||||
| 168 | C | 22.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | -68.1 | 157 | -174 | -45.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 169 | K | 24 | Very low | 27.4 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 87.9 | 115.8 | 158.8 | -58.1 | 176.2 | -179.9 | 176.9 | 0 | 117.9 | ||||
| 170 | N | 24.6 | Very low | 27.5 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 42.7 | 132.1 | 138.8 | -62.5 | 14.5 | 0 | 0 | 0 | 121.7 | ||||
| 171 | S | 27 | Very low | 27.9 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 98.9 | 147.5 | 48.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 172 | N | 30.8 | Very low | 28.1 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | 63.9 | 89.8 | 127 | -57.8 | 9.8 | 0 | 0 | 0 | 119.3 | |||||
| 173 | S | 31.8 | Very low | 28.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | 54.1 | 123.8 | 123.6 | 63.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 174 | N | 31.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 84.9 | 103 | 150.2 | -57 | -11 | 0 | 0 | 0 | 119 | ||||
| 175 | L | 29.4 | Very low | 28.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 36.1 | 133 | 109 | -66.8 | 153.8 | 0 | 0 | 0 | 117.7 | |||||
| 176 | N | 30.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -154.4 | 146.9 | 15.3 | -151.7 | 6.6 | 0 | 0 | 0 | 115.1 | ||||
| 177 | V | 29.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | trans | 14.2 | 124.5 | 152 | 168.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 178 | Q | 30.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 74.1 | 104 | 146.2 | -77.4 | 168.4 | 2.7 | 0 | 0 | 123 | ||||
| 179 | T | 29.1 | Very low | 29.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | 39.5 | 131.6 | 117.4 | 56.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 180 | S | 28.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -167.5 | 159.4 | 7.8 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 181 | S | 31.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 88.3 | 125.5 | 153.2 | 80.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 182 | K | 31 | Very low | 30.7 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 66.6 | 116.7 | 148 | -73.9 | -170.4 | 171.8 | -178.8 | 0 | 123.3 | ||||
| 183 | L | 27.4 | Very low | 30.7 | Very low | 170 Ų | 170 | 131 Ų | 131 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 69.6 | 139.4 | 136.5 | -89.2 | 72.1 | 0 | 0 | 0 | 120.9 | ||||
| 184 | G | 28.1 | Very low | 30.5 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | trans | 113.7 | 96.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 185 | T | 29.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 136 Ų | 136 | 92% | 0.92 | 74% | 0.74 | S | S | * | * | 81.3 | 128.4 | 66.5 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 186 | G | 30.2 | Very low | 30.1 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 99.1 | 120.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 187 | A | 30.9 | Very low | 30 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | 63.2 | 140.2 | 23.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 188 | E | 33.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | cis | -160.2 | 150.2 | 9 | -131.7 | 148.1 | -145.2 | 0 | 0 | 104.7 | ||||
| 189 | E | 33.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | 175.3 | 172.8 | 64.8 | -72 | -159.8 | 123.9 | 0 | 0 | 107 | |||||
| 190 | N | 33 | Very low | 29.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 53% | 0.529 | 74% | 0.744 | S | S | . | * | cis | -160.6 | 132.7 | -32 | -89.1 | -18.8 | 0 | 0 | 0 | 106.6 | ||||
| 191 | E | 32.2 | Very low | 29.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | 77.5 | 153 | 109.5 | -59.4 | -163.6 | 124.9 | 0 | 0 | 115.4 | |||||
| 192 | E | 32 | Very low | 29.4 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | cis | -132.1 | 146.6 | 24 | -64.5 | -173 | 145.7 | 0 | 0 | 116.6 | ||||
| 193 | H | 31.4 | Very low | 29 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 61% | 0.611 | 74% | 0.744 | S | S | * | * | trans | 51.6 | 125.9 | 135 | -71.4 | -111 | 0 | 0 | 0 | 122.4 | ||||
| 194 | Y | 27.5 | Very low | 29 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | 74.3 | 141.8 | 62.5 | -82 | -52.2 | 0 | 0 | 0 | 114.8 | |||||
| 195 | K | 29 | Very low | 28.8 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | cis | -158.9 | 172.4 | 2.5 | -149 | 150.6 | -168.9 | 155.4 | 0 | 111.5 | ||||
| 196 | L | 23.7 | Very low | 28.4 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -76.2 | 160.7 | 174.5 | -66.4 | 70.3 | 0 | 0 | 0 | 113.5 | ||||
| 197 | S | 26.5 | Very low | 28 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | 163.9 | 143.8 | 109 | -158.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 198 | K | 28.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | trans | 65.7 | 154.8 | 162.3 | -72.9 | 167.1 | 180 | -176.7 | 0 | 117.6 | ||||
| 199 | R | 27.1 | Very low | 27.3 | Very low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | cis | -122.2 | 156.3 | 20.4 | -56.8 | 172.8 | -178.4 | 171.4 | -1.2 | 110.3 | ||||
| 200 | H | 28.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 63% | 0.625 | 73% | 0.725 | S | S | * | * | 54.7 | 142.5 | 56.3 | -64.5 | -65.4 | 0 | 0 | 0 | 114.5 | |||||
| 201 | D | 25.7 | Very low | 26.5 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | cis | -177.2 | 154.2 | -26.7 | -104 | -16.9 | 0 | 0 | 0 | 107.1 | ||||
| 202 | E | 27.5 | Very low | 26.3 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -172.7 | 161 | 145.7 | -112.9 | 167.3 | -148.4 | 0 | 0 | 113.7 | ||||
| 203 | T | 23.8 | Very low | 26.2 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | trans | -154.4 | -174.5 | -168 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 204 | H | 27.1 | Very low | 26 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | 78.8 | 160.8 | 171.4 | -67.6 | 38.6 | 0 | 0 | 0 | 117.3 | ||||
| 205 | S | 24.1 | Very low | 25.9 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | cis | -168.8 | 147.6 | -36.4 | -167.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 206 | M | 21.5 | Very low | 25.7 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 41.1 | 129.2 | 153.6 | -74.7 | -166 | -66.9 | 0 | 0 | 125.3 | ||||
| 207 | N | 22.3 | Very low | 25.7 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | 92.7 | 119.1 | 127 | -76.5 | -15.9 | 0 | 0 | 0 | 125.3 | |||||
| 208 | V | 22.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | 72.5 | 114.6 | 124.7 | 174.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 209 | H | 25.9 | Very low | 25.1 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | -174.2 | 141.8 | 111.3 | -127.8 | 31.1 | 0 | 0 | 0 | 113.9 | |||||
| 210 | L | 25 | Very low | 25.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | trans | 54.4 | 140.8 | 154.9 | -55.3 | 168.6 | 0 | 0 | 0 | 118.3 | ||||
| 211 | K | 26.3 | Very low | 25.1 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 73% | 0.726 | 70% | 0.696 | S | S | * | * | cis | -170.5 | 178.7 | 5.2 | -127.9 | -176.7 | 173.4 | -178.5 | 0 | 107.3 | ||||
| 212 | N | 28 | Very low | 25 | Very low | 94 Ų | 94 | 143 Ų | 143 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | cis | -162.1 | 155.4 | -2.4 | -146.6 | 4.2 | 0 | 0 | 0 | 109.7 | ||||
| 213 | H | 28.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | trans | 55.6 | 142.6 | 164.2 | -54.7 | -63.3 | 0 | 0 | 0 | 120.2 | ||||
| 214 | H | 28.1 | Very low | 24.9 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | cis | -156.2 | 135.7 | -12.5 | -111.7 | -30.7 | 0 | 0 | 0 | 109.3 | ||||
| 215 | H | 25.6 | Very low | 24.8 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 63% | 0.634 | 70% | 0.701 | S | S | * | * | 65 | 115.8 | 99.7 | -92.4 | 26.6 | 0 | 0 | 0 | 116 | |||||
| 216 | H | 24.5 | Very low | 24.8 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | 89.5 | 149.3 | 81.1 | -83 | 9 | 0 | 0 | 0 | 112.6 | |||||
| 217 | Q | 22.8 | Very low | 25.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | cis | -163.1 | 155 | -6.6 | -124.9 | 176.8 | 13.6 | 0 | 0 | 112.8 | ||||
| 218 | Y | 21.1 | Very low | 25.2 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | trans | 53.7 | 118 | 138.3 | -96.3 | -135.2 | 0 | 0 | 0 | 125.5 | ||||
| 219 | K | 21.6 | Very low | 25.2 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | 77.5 | 164.8 | 116.8 | -81.4 | -159.2 | 179.7 | 167.2 | 0 | 122.6 | |||||
| 220 | P | 32.6 | Very low | 25.1 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 59% | 0.591 | 72% | 0.722 | S | S | * | * | trans | -132.7 | -175.9 | -147.5 | 46.4 | -31.5 | 0 | 0 | 0 | 116.2 | ||||
| 221 | Y | 22.9 | Very low | 25.1 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | 162.6 | 148.4 | 123.3 | -93.2 | -57.1 | 0 | 0 | 0 | 115.9 | |||||
| 222 | L | 23 | Very low | 25.2 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 55.3 | 114.5 | 143.9 | -63.8 | 169.8 | 0 | 0 | 0 | 123.7 | ||||
| 223 | S | 26.2 | Very low | 25.1 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | -170.6 | 116.2 | 108.3 | 38.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 224 | E | 22.4 | Very low | 25.1 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | 52.8 | 101.4 | 81.5 | -71.9 | -155.4 | 148.6 | 0 | 0 | 115.8 | |||||
| 225 | S | 25.9 | Very low | 25 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | -169.2 | 125.5 | 128.6 | -166.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 226 | S | 25 | Very low | 25.1 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 70.9 | 152.7 | 147.4 | -149 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 227 | M | 27.6 | Very low | 25.2 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 68.8 | 108.1 | 160.1 | -79.8 | 158.6 | 59.8 | 0 | 0 | 120.8 | ||||
| 228 | E | 23.1 | Very low | 25.5 | Very low | 193 Ų | 193 | 156.3 Ų | 156.3 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 168.9 | 158.8 | -57.6 | 173.6 | 104.6 | 0 | 0 | 112 | ||||
| 229 | S | 23.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 101.3 | 132.5 | 165.4 | -151.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 230 | L | 23.7 | Very low | 26.3 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 87.3 | 132.8 | 161.1 | -65.2 | 160.2 | 0 | 0 | 0 | 122.3 | ||||
| 231 | D | 24.9 | Very low | 26.1 | Very low | 130 Ų | 130 | 160.1 Ų | 160.1 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | trans | 56.2 | 91.2 | 138.8 | -60.8 | -5.4 | 0 | 0 | 0 | 122.4 | K233 | D231-K233 PolarHBondContact O-N 3.38Š| ||
| 232 | Y | 26.9 | Very low | 26.5 | Very low | 241 Ų | 241 | 158 Ų | 158 | 95% | 0.945 | 82% | 0.821 | S | S | * | * | trans | -78.9 | 105.5 | 149.7 | -87.5 | -81 | 0 | 0 | 0 | 111.6 | ||||
| 233 | K | 26 | Very low | 26.9 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | trans | -75.8 | 122 | 162.3 | -71.9 | 177.1 | 179.2 | 172.1 | 0 | 109.8 | D231 | D231-K233 PolarHBondContact O-N 3.38Š| ||
| 234 | L | 29.4 | Very low | 27.1 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -85.7 | 109.4 | 165.6 | -89.7 | 163 | 0 | 0 | 0 | 109.7 | ||||
| 235 | N | 27.2 | Very low | 27.3 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -106.8 | 124.6 | 162.9 | -81 | 7.4 | 0 | 0 | 0 | 108.8 | ||||
| 236 | H | 26.1 | Very low | 27.4 | Very low | 175 Ų | 175 | 158.1 Ų | 158.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -90.2 | 129.1 | 163.8 | -84.9 | -89.6 | 0 | 0 | 0 | 109.8 | ||||
| 237 | T | 28.1 | Very low | 27.5 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -153.1 | 132.4 | 149.6 | 31.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 238 | E | 27.4 | Very low | 27.6 | Very low | 181 Ų | 181 | 158 Ų | 158 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -95.5 | 167.1 | -178.3 | -60.6 | 175.6 | 119.4 | 0 | 0 | 112.3 | ||||
| 239 | S | 31 | Very low | 27.9 | Very low | 112 Ų | 112 | 156.9 Ų | 156.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 111.4 | 103.4 | 152.5 | -51 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 240 | N | 29.2 | Very low | 28 | Very low | 169 Ų | 169 | 159.6 Ų | 159.6 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 138.8 | 153.7 | -88.7 | -18.9 | 0 | 0 | 0 | 110 | ||||
| 241 | R | 28.2 | Very low | 28.3 | Very low | 236 Ų | 236 | 160.7 Ų | 160.7 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -137 | 120.5 | 162.8 | -85.5 | -173.1 | 172.5 | 179.2 | -2.1 | 110.4 | ||||
| 242 | N | 32 | Very low | 28.5 | Very low | 162 Ų | 162 | 162.4 Ų | 162.4 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -96.6 | 150.1 | 151.7 | -63.2 | -6.6 | 0 | 0 | 0 | 106.3 | ||||
| 243 | S | 30.6 | Very low | 28.6 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -149.6 | 168.7 | 0.7 | -170 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 244 | Y | 30.2 | Very low | 28.7 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -58.6 | 143.2 | 168.6 | -69.8 | -86.6 | 0 | 0 | 0 | 112.3 | ||||
| 245 | N | 26.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 61 | 140.9 | 77.2 | -62.9 | 35.4 | 0 | 0 | 0 | 114.2 | |||||
| 246 | N | 27.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 152 Ų | 152 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | cis | -161.6 | 158.6 | -5.6 | -112.9 | 33.7 | 0 | 0 | 0 | 112.2 | ||||
| 247 | D | 27.7 | Very low | 28.7 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | trans | 61.8 | 150.9 | 141.9 | -50.5 | -21.9 | 0 | 0 | 0 | 127.1 | ||||
| 248 | D | 28.9 | Very low | 28.8 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 57.6 | 124.3 | 156.8 | -67.3 | -17.8 | 0 | 0 | 0 | 121.7 | ||||
| 249 | L | 29.4 | Very low | 28.8 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | -154.5 | 167.9 | 55.6 | -89.9 | 172.9 | 0 | 0 | 0 | 114.5 | |||||
| 250 | L | 26.4 | Very low | 28.7 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -108.5 | 133.2 | -175.5 | -153.2 | 92.9 | 0 | 0 | 0 | 113.6 | ||||
| 251 | I | 29.6 | Very low | 28.7 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | trans | -133.9 | 141.4 | 164.6 | -61.6 | -175 | 0 | 0 | 0 | 111.8 | ||||
| 252 | K | 29.6 | Very low | 28.6 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | -66.6 | 173.8 | 177 | -78.9 | 165.1 | 149.9 | -132 | 0 | 113.5 | ||||
| 253 | E | 28.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 143 Ų | 143 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | cis | -166.7 | 159.2 | 7.8 | -127.4 | 164.5 | -133.8 | 0 | 0 | 110 | ||||
| 254 | N | 28.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | trans | 59.8 | 156.6 | 146.2 | -60.2 | -22.8 | 0 | 0 | 0 | 120.3 | ||||
| 255 | F | 27.7 | Very low | 28.1 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -160.8 | 159.4 | -17 | -133.3 | -114.7 | 0 | 0 | 0 | 107.4 | ||||
| 256 | G | 28.1 | Very low | 28.1 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 159.6 | 131 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 257 | Q | 27.5 | Very low | 28.1 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -100 | 162.2 | 176.2 | -55.6 | 169 | 1.3 | 0 | 0 | 109.2 | ||||
| 258 | S | 29.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 178 | 159.3 | 51.6 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 259 | K | 27.8 | Very low | 27.7 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 23.5 | 146.7 | 137.9 | -65 | -177.5 | 179.9 | 177.3 | 0 | 120.5 | ||||
| 260 | T | 28.7 | Very low | 27.5 | Very low | 104 Ų | 104 | 142 Ų | 142 | 64% | 0.638 | 75% | 0.752 | S | S | * | * | cis | -172.3 | 157.9 | 17 | 3.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 261 | H | 28.7 | Very low | 27.6 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | 64.1 | 155.7 | 154.2 | -65.8 | -54.1 | 0 | 0 | 0 | 118.8 | ||||
| 262 | S | 26.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -160.7 | 141.8 | 1.4 | 131.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 263 | V | 26 | Very low | 27.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | 69.5 | 134.7 | 152.7 | 178.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 264 | P | 32.2 | Very low | 27.2 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -126.5 | -161.8 | -177.6 | 46.3 | -34.3 | 0 | 0 | 0 | 116.6 | ||||
| 265 | N | 25.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 99 | 150.2 | 163.3 | -66.3 | -21.1 | 0 | 0 | 0 | 118.2 | ||||
| 266 | V | 26.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | cis | -150.5 | 169.1 | 11.4 | 106.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 267 | Y | 25.5 | Very low | 27.2 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -49.2 | 148.9 | -168.4 | -66.5 | -101 | 0 | 0 | 0 | 125.4 | ||||
| 268 | H | 25.3 | Very low | 27.4 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | 32.3 | 124.7 | 134.1 | -80.2 | -95.1 | 0 | 0 | 0 | 125.7 | ||||
| 269 | V | 24.1 | Very low | 27.5 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | 40 | 130 | 103.2 | 179.6 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 270 | N | 25.4 | Very low | 27.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | cis | -157.3 | -178.1 | 38.2 | -144.3 | -17.4 | 0 | 0 | 0 | 115.8 | ||||
| 271 | K | 27.5 | Very low | 27.9 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | -81.5 | 161.5 | 179.2 | -58.6 | 178.2 | 175.3 | -177.8 | 0 | 115.9 | ||||
| 272 | I | 26.1 | Very low | 28.5 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | -171.9 | 153.9 | 111.8 | -94 | 158.5 | 0 | 0 | 0 | 112.8 | |||||
| 273 | N | 24.9 | Very low | 29.4 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -60.3 | 156.5 | -169.7 | -35.2 | -22.3 | 0 | 0 | 0 | 117.3 | ||||
| 274 | T | 28.6 | Very low | 29.7 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | -168.3 | 145.1 | 109.5 | 24.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 275 | S | 28.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 27.9 | 109.4 | 154.2 | 58.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 276 | V | 30.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | 54.3 | 112.6 | 106 | 177.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 277 | D | 26.6 | Very low | 30.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 52 | 122.5 | 139.8 | -46.8 | -6.9 | 0 | 0 | 0 | 122.2 | ||||
| 278 | V | 32.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | -172 | 132.6 | 96.8 | 150.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 279 | D | 31.9 | Very low | 31 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 38.3 | 132.4 | 161.6 | -60.9 | -23 | 0 | 0 | 0 | 123.9 | ||||
| 280 | D | 31.1 | Very low | 31.3 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -73.8 | 144.3 | 165.1 | -68.7 | -70.1 | 0 | 0 | 0 | 113.1 | ||||
| 281 | N | 31.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | 169 | 126.1 | 118.1 | -92.5 | -70.8 | 0 | 0 | 0 | 113 | |||||
| 282 | P | 43.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | -109.9 | -175.6 | 163.4 | 41 | -32.4 | 0 | 0 | 0 | 111.7 | ||||
| 283 | P | 45.2 | Very low | 32 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | cis | -109.3 | -130.9 | -12.8 | 21.4 | 4.3 | 0 | 0 | 0 | 108.6 | ||||
| 284 | A | 31.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 60% | 0.603 | 74% | 0.735 | S | S | * | * | cis | -160.2 | 160.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 285 | D | 32.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | 171.4 | 124.9 | 121.2 | -94.8 | 2.7 | 0 | 0 | 0 | 112.6 | |||||
| 286 | D | 33.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | 58.3 | 104 | 134.3 | -77.8 | 23 | 0 | 0 | 0 | 125.3 | ||||
| 287 | N | 32.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | 96.6 | 122.7 | 103.8 | -79 | -27 | 0 | 0 | 0 | 125.3 | |||||
| 288 | I | 32.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 134 Ų | 134 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | 97.1 | 120.2 | 122.9 | -74.9 | 171.5 | 0 | 0 | 0 | 123 | |||||
| 289 | E | 31.4 | Very low | 32.8 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | 67.8 | 116 | 145.3 | -74.3 | -176.4 | 154.8 | 0 | 0 | 126.3 | ||||
| 290 | N | 30.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | 48.2 | 146.7 | 101.5 | -77.1 | -18 | 0 | 0 | 0 | 121.6 | |||||
| 291 | V | 30.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | cis | -171.3 | 174.7 | -11 | 92 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 292 | N | 30.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | trans | 81.9 | 146.9 | 171.6 | -62.3 | -49.8 | 0 | 0 | 0 | 118.6 | ||||
| 293 | K | 32 | Very low | 32 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 73% | 0.726 | 69% | 0.693 | S | S | * | * | cis | -165.9 | 150.6 | -11.5 | -114 | 170.3 | 176.5 | 172.5 | 0 | 115 | ||||
| 294 | I | 32.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 65% | 0.646 | 69% | 0.69 | S | S | * | * | trans | 72 | 109.1 | 142 | -70.2 | 162 | 0 | 0 | 0 | 121.8 | ||||
| 295 | N | 30.5 | Very low | 30.9 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | 151.1 | 138.3 | 127 | -87.2 | -34 | 0 | 0 | 0 | 111.4 | |||||
| 296 | H | 32.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 136 Ų | 136 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | cis | -165.5 | 139.6 | -28.4 | -136.1 | -34.1 | 0 | 0 | 0 | 109.3 | ||||
| 297 | L | 31.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | trans | 66.5 | 113.6 | 155.8 | -68.5 | 158.5 | 0 | 0 | 0 | 121.1 | ||||
| 298 | D | 30.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | 60.4 | 147.5 | 112.1 | -61.9 | 20.7 | 0 | 0 | 0 | 121.3 | |||||
| 299 | S | 32 | Very low | 29.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | cis | -153.9 | 153.3 | 11.7 | 34.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 300 | D | 30.4 | Very low | 29.8 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | 27.2 | 148.5 | 135.1 | -80.4 | 18.1 | 0 | 0 | 0 | 122.7 | ||||
| 301 | N | 30.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | cis | -155.5 | 132 | 17.7 | -122.6 | -37 | 0 | 0 | 0 | 115.3 | ||||
| 302 | K | 28.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | trans | 58.2 | 124.1 | 131.8 | -81.8 | 178 | -168.1 | 98.9 | 0 | 125.1 | ||||
| 303 | H | 30.1 | Very low | 30.1 | Very low | 145 Ų | 145 | 135 Ų | 135 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | trans | 75 | 146 | 134.7 | -62.1 | -52.5 | 0 | 0 | 0 | 121.7 | ||||
| 304 | Q | 28.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | cis | -163 | 153.2 | -36.4 | -150.8 | 161.4 | -7.6 | 0 | 0 | 110.7 | ||||
| 305 | F | 24.5 | Very low | 30.4 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | trans | -64.6 | 159.5 | 163.4 | -75.1 | -108.4 | 0 | 0 | 0 | 110.8 | ||||
| 306 | N | 28 | Very low | 30.8 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | cis | -160.3 | 147.8 | 46.8 | -105.7 | -52.6 | 0 | 0 | 0 | 115.3 | ||||
| 307 | N | 27.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | trans | 14.3 | 134.4 | 143.4 | -56.1 | -15.6 | 0 | 0 | 0 | 122.5 | ||||
| 308 | S | 26.4 | Very low | 31.3 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | -159.7 | 162.7 | 121.3 | 53.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 309 | H | 26.7 | Very low | 31.5 | Very low | 192 Ų | 192 | 127 Ų | 127 | 89% | 0.889 | 65% | 0.646 | S | S | * | * | trans | -77.5 | 152.5 | -171.5 | -67.7 | -104.9 | 0 | 0 | 0 | 114.1 | ||||
| 310 | R | 30.8 | Very low | 31.5 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | trans | -128.8 | 162.8 | 166.1 | -98.7 | 176 | 155.3 | -123.7 | -24.6 | 112.7 | E314 | R310-E314 VanDerWaalsContact CD-OE2 3.23Å; R310-E314 WeakPolarHBondContact CD-OE2 3.43Å; R310-E314 VanDerWaalsContact CG-OE2 3.31Å; R310-E314 WeakPolarHBondContact CG-OE2 3.49Å; R310-E314 VanDerWaalsContact CZ-CD 3.47Å; R310-E314 IonicContact CZ-OE1 3.05Å; R310-E314 IonicContact CZ-OE2 3.11Å; R310-E314 IonicContact NE-OE2 3.33Å; R310-E314 PolarHBondContact NE-OE2 3.04Å; R310-E314 IonicContact NH1-OE1 2.66Å; R310-E314 PolarHBondContact NH1-OE1 3.08Å; R310-E314 IonicContact NH1-OE2 3.12Å; R310-E314 PolarHBondContact NH1-OE2 3.27Å; R310-E314 VanDerWaalsContact NH1-OE2 3.12Å; R310-E314 IonicContact NH2-OE1 3.06Å; R310-E314 PolarHBondContact NH2-OE1 3.4Å; R310-E314 IonicContact NH2-OE2 3.61Å | ||
| 311 | S | 32.5 | Very low | 31.7 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | trans | -87.5 | 153.5 | -160.2 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | S313 E314 | S311-S313 PolarHBondContact O-N 3.05Å; S311-S313 VanDerWaalsContact O-N 3.13Å; S311-S313 PolarHBondContact OG-N 3.13Å; S311-E314 PolarHBondContact O-N 3.12Å | ||
| 312 | V | 32 | Very low | 31.8 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.5 | -28.7 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | E314 M315 I316 | V312-E314 PolarHBondContact O-N 2.94Å; V312-M315 PolarHBondContact O-N 3Å; V312-I316 PolarHBondContact O-N 2.96Å |
| 313 | S | 34 | Very low | 32 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 51% | 0.51 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -56.6 | -29.4 | 174 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | S311 N317 | S311-S313 PolarHBondContact O-N 3.05Å; S311-S313 VanDerWaalsContact O-N 3.13Å; S311-S313 PolarHBondContact OG-N 3.13Å; S313-N317 PolarHBondContact O-N 3.24Å; S313-N317 PolarHBondContact O-OD1 3.05Å |
| 314 | E | 37.8 | Very low | 32 | Very low | 69 Ų | 69 | 124 Ų | 124 | 32% | 0.322 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -86.8 | -19 | -177.1 | -63.4 | -172.8 | 107.6 | 0 | 0 | 113.2 | R310 S311 V312 Q318 | R310-E314 VanDerWaalsContact CD-OE2 3.23Å; R310-E314 WeakPolarHBondContact CD-OE2 3.43Å; R310-E314 VanDerWaalsContact CG-OE2 3.31Å; R310-E314 WeakPolarHBondContact CG-OE2 3.49Å; R310-E314 VanDerWaalsContact CZ-CD 3.47Å; R310-E314 IonicContact CZ-OE1 3.05Å; R310-E314 IonicContact CZ-OE2 3.11Å; R310-E314 IonicContact NE-OE2 3.33Å; R310-E314 PolarHBondContact NE-OE2 3.04Å; R310-E314 IonicContact NH1-OE1 2.66Å; R310-E314 PolarHBondContact NH1-OE1 3.08Å; R310-E314 IonicContact NH1-OE2 3.12Å; R310-E314 PolarHBondContact NH1-OE2 3.27Å; R310-E314 VanDerWaalsContact NH1-OE2 3.12Å; R310-E314 IonicContact NH2-OE1 3.06Å; R310-E314 PolarHBondContact NH2-OE1 3.4Å; R310-E314 IonicContact NH2-OE2 3.61Å; S311-E314 PolarHBondContact O-N 3.12Å; V312-E314 PolarHBondContact O-N 2.94Å; E314-Q318 PolarHBondContact O-N 3.18Å |
| 315 | M | 33.4 | Very low | 32 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.9 | -34.5 | 167.1 | -90.7 | -178.5 | -81.7 | 0 | 0 | 112 | V312 F319 | V312-M315 PolarHBondContact O-N 3Å; M315-F319 PolarHBondContact O-N 2.53Å |
| 316 | I | 39.1 | Very low | 32.2 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.2 | -48.4 | 175.5 | -62.8 | 175.2 | 0 | 0 | 0 | 109.7 | V312 Q318 F319 E320 | V312-I316 PolarHBondContact O-N 2.96Å; I316-Q318 VanDerWaalsContact C-N 3.3Å; I316-Q318 PolarHBondContact O-N 3.31Å; I316-F319 WeakPolarHBondContact O-CB 3.19Å; I316-F319 PolarHBondContact O-N 3.39Å; I316-E320 PolarHBondContact O-N 2.98Å; I316-E320 VanDerWaalsContact O-N 3.11Å |
| 317 | N | 36.9 | Very low | 32.2 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.2 | -30.6 | -179.7 | -67.1 | 13.8 | 0 | 0 | 0 | 113.5 | S313 L321 | S313-N317 PolarHBondContact O-N 3.24Å; S313-N317 PolarHBondContact O-OD1 3.05Å; N317-L321 WeakPolarHBondContact O-CB 3.43Å; N317-L321 WeakPolarHBondContact O-CD1 3.48Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 2.75Å |
| 318 | Q | 37.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.1 | -25 | 172.6 | -74.8 | -163.4 | 1.2 | 0 | 0 | 113.7 | E314 I316 S322 | E314-Q318 PolarHBondContact O-N 3.18Å; I316-Q318 VanDerWaalsContact C-N 3.3Å; I316-Q318 PolarHBondContact O-N 3.31Å; Q318-S322 WeakPolarHBondContact O-CB 3.36Å; Q318-S322 PolarHBondContact O-N 2.99Å; Q318-S322 PolarHBondContact O-OG 2.77Å |
| 319 | F | 33.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -42.6 | 173.9 | -162.8 | -101.3 | 0 | 0 | 0 | 111.1 | M315 I316 S322 I323 | M315-F319 PolarHBondContact O-N 2.53Å; I316-F319 WeakPolarHBondContact O-CB 3.19Å; I316-F319 PolarHBondContact O-N 3.39Å; F319-S322 WeakPolarHBondContact O-CB 3.17Å; F319-S322 PolarHBondContact O-N 3.17Å; F319-I323 HydrophobicContact CD1-CD1 4.2Å; F319-I323 HydrophobicContact CE1-CD1 4Å; F319-I323 PolarHBondContact O-N 3.32Å |
| 320 | E | 33.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 60% | 0.598 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.3 | -45.3 | 175.7 | -65.4 | -174.4 | 152.9 | 0 | 0 | 111.8 | I316 S322 I323 | I316-E320 PolarHBondContact O-N 2.98Å; I316-E320 VanDerWaalsContact O-N 3.11Å; E320-S322 PolarHBondContact O-N 2.97Å; E320-S322 VanDerWaalsContact O-N 3.1Å; E320-I323 PolarHBondContact O-N 3.08Å |
| 321 | L | 34 | Very low | 32.1 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.9 | -14.6 | 173.9 | -74.7 | 169.5 | 0 | 0 | 0 | 114.6 | N317 | N317-L321 WeakPolarHBondContact O-CB 3.43Å; N317-L321 WeakPolarHBondContact O-CD1 3.48Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 2.75Å |
| 322 | S | 32 | Very low | 31.8 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.7 | -18.1 | 175.9 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | Q318 F319 E320 | Q318-S322 WeakPolarHBondContact O-CB 3.36Å; Q318-S322 PolarHBondContact O-N 2.99Å; Q318-S322 PolarHBondContact O-OG 2.77Å; F319-S322 WeakPolarHBondContact O-CB 3.17Å; F319-S322 PolarHBondContact O-N 3.17Å; E320-S322 PolarHBondContact O-N 2.97Å; E320-S322 VanDerWaalsContact O-N 3.1Å |
| 323 | I | 32.7 | Very low | 31.6 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 48% | 0.477 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -84.3 | -24.2 | 178.1 | -68.1 | 173.3 | 0 | 0 | 0 | 111.6 | F319 E320 K325 | F319-I323 HydrophobicContact CD1-CD1 4.2Å; F319-I323 HydrophobicContact CE1-CD1 4Å; F319-I323 PolarHBondContact O-N 3.32Å; E320-I323 PolarHBondContact O-N 3.08Å; I323-K325 PolarHBondContact O-N 2.8Å |
| 324 | E | 30.3 | Very low | 31.5 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -11.3 | 177.1 | -66.9 | -167.1 | 123.7 | 0 | 0 | 114.8 | ||
| 325 | K | 30.5 | Very low | 31.1 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -0.4 | -175.2 | -90.7 | -178.7 | 176.8 | 173.5 | 0 | 116.6 | I323 | I323-K325 PolarHBondContact O-N 2.8Š|
| 326 | N | 26.8 | Very low | 30.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -145 | 68.9 | 175.2 | -82.5 | -62.2 | 0 | 0 | 0 | 112.1 | ||||
| 327 | Q | 29.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -113.9 | 128.5 | 162.8 | -65 | -164.6 | 31 | 0 | 0 | 110.4 | ||||
| 328 | I | 29.2 | Very low | 30 | Very low | 165 Ų | 165 | 146 Ų | 146 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -87.5 | 119.6 | 179.5 | -65.7 | 174.2 | 0 | 0 | 0 | 108 | Y330 | I328-Y330 PolarHBondContact O-N 3.27Š| ||
| 329 | N | 26.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -59.4 | 123.8 | -172.8 | -80.2 | -37.4 | 0 | 0 | 0 | 113.8 | ||||
| 330 | Y | 24.1 | Very low | 29.5 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 92% | 0.918 | 72% | 0.719 | S | S | * | * | trans | -146.4 | 89.1 | 151.2 | -94.6 | -72.4 | 0 | 0 | 0 | 111.3 | I328 | I328-Y330 PolarHBondContact O-N 3.27Š| ||
| 331 | S | 28.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -141.3 | 156 | 146.2 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 332 | K | 27.3 | Very low | 29 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | -114.6 | 126.6 | 169 | -71.2 | 176.5 | 178.3 | 175 | 0 | 107.1 | ||||
| 333 | D | 28.1 | Very low | 28.8 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -121.4 | 145.5 | 161.9 | -82.3 | -62.3 | 0 | 0 | 0 | 111.9 | ||||
| 334 | K | 31.1 | Very low | 28.5 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -112.4 | 150.4 | 168.2 | -78.5 | -172.3 | 176.2 | -173.4 | 0 | 104.6 | ||||
| 335 | N | 28.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | cis | -171.7 | 158.8 | 15.5 | -128.9 | 17.2 | 0 | 0 | 0 | 108.2 | ||||
| 336 | V | 28.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | 72.6 | 148.8 | 135.2 | 166.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 337 | H | 28.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | cis | -136.3 | 173.1 | 1.7 | -144.2 | -78.4 | 0 | 0 | 0 | 112.9 | ||||
| 338 | E | 29.9 | Very low | 28.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | 72.3 | 156.2 | 161.4 | -95.8 | 121 | -96.8 | 0 | 0 | 118.3 | ||||
| 339 | S | 29.7 | Very low | 28.6 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | -171.4 | 178.6 | -23 | -116.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 340 | L | 30.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | -151.6 | 135.4 | -0.8 | -136.7 | 155.9 | 0 | 0 | 0 | 106.1 | ||||
| 341 | E | 27.8 | Very low | 29.7 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | 55.2 | 158.4 | 163.3 | -82.3 | 170 | -151.8 | 0 | 0 | 119.5 | ||||
| 342 | C | 30.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -152.3 | 155.3 | 7.7 | -136.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 343 | L | 27.1 | Very low | 30 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 60.4 | 116.7 | 147.1 | -75.2 | 168.5 | 0 | 0 | 0 | 123.7 | ||||
| 344 | D | 25.5 | Very low | 30.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | 100.1 | 142.7 | 119.7 | -142.6 | 18.5 | 0 | 0 | 0 | 122.8 | |||||
| 345 | R | 30 | Very low | 30.3 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | 81.2 | 120.2 | 162.7 | -68.8 | 173.9 | -171 | -168.5 | -4.5 | 124.2 | ||||
| 346 | V | 28.3 | Very low | 30.5 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -82.6 | 148.6 | 162.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 347 | P | 34.2 | Very low | 30.9 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -116.2 | 167.4 | 148 | 36.9 | -28.3 | 0 | 0 | 0 | 112.5 | ||||
| 348 | S | 27.2 | Very low | 31 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -139.7 | 179.5 | -150 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 349 | S | 29.8 | Very low | 31 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 78.4 | 128.8 | 146.1 | 66.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 350 | M | 31.7 | Very low | 31.5 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 158.4 | 144.2 | -61.4 | -164.8 | 77.3 | 0 | 0 | 109.2 | ||
| 351 | P | 41.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77 | 155.9 | 164.8 | 33.2 | -33.8 | 0 | 0 | 0 | 111.8 | ||
| 352 | S | 30.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 166.2 | -169.3 | -42.2 | 0 | 0 | 0 | 0 | 114 | ||
| 353 | D | 31 | Very low | 31.3 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | -142.3 | 161.5 | 127 | -133.9 | -37.8 | 0 | 0 | 0 | 114.1 | |||||
| 354 | T | 32.6 | Very low | 32 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 64% | 0.638 | 78% | 0.784 | S | S | * | * | trans | -51.4 | 149.6 | -154.2 | 30.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 355 | Q | 34.2 | Very low | 32.4 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 85.8 | 87.3 | 137.6 | -74.4 | 175.8 | 75.5 | 0 | 0 | 123.3 | ||||
| 356 | K | 32.8 | Very low | 32.5 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | 39.2 | 157.9 | 120.5 | -83.7 | -156 | 170.4 | -177.3 | 0 | 124.1 | |||||
| 357 | P | 37.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -128.2 | 170.9 | -150.2 | 44.1 | -30.2 | 0 | 0 | 0 | 117.2 | ||||
| 358 | T | 30.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | -157.7 | 172.5 | 146.7 | 3.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 359 | S | 28.3 | Very low | 33 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -112.3 | -164.7 | -172.9 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 360 | P | 40.1 | Very low | 33.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -99.2 | 159.7 | -115.4 | 40 | -30.7 | 0 | 0 | 0 | 116 | |||||
| 361 | K | 28.4 | Very low | 33.2 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | trans | -163.1 | -177.7 | 157.4 | -117.1 | 163.5 | -172.2 | 175.8 | 0 | 114.2 | ||||
| 362 | T | 26.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 169.9 | -153.7 | -38.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 363 | I | 30.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | 63.1 | 159.4 | 165.6 | 27.4 | 179.9 | 0 | 0 | 0 | 118.1 | ||||
| 364 | P | 42.9 | Very low | 32.7 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | cis | -124.8 | -143 | -16.5 | 30.9 | -5.9 | 0 | 0 | 0 | 110.5 | ||||
| 365 | E | 32.7 | Very low | 32.8 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | cis | -160.8 | 135.4 | -2.9 | -155.8 | 110.1 | -103.4 | 0 | 0 | 113.6 | ||||
| 366 | T | 32.4 | Very low | 32.8 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 60.6 | 155.4 | 155.5 | 52.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 367 | V | 33.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | cis | -143.4 | 130.9 | 31 | 172 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 368 | N | 32.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | 48.8 | 140.4 | 160.6 | -68.2 | -47 | 0 | 0 | 0 | 119.3 | ||||
| 369 | R | 34.7 | Very low | 32.9 | Very low | 193 Ų | 193 | 145 Ų | 145 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | cis | -167.8 | 172.9 | 5.5 | -107.5 | 162.5 | -160.8 | -164.6 | 1.7 | 107 | ||||
| 370 | H | 35.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -141.3 | -142 | 2.7 | -140.3 | -45.8 | 0 | 0 | 0 | 110.7 | ||||
| 371 | S | 30.2 | Very low | 32.7 | Very low | 89 Ų | 89 | 149.9 Ų | 149.9 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | -158.9 | 142.7 | -171.1 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 372 | E | 32.7 | Very low | 32.9 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | -179 | 170.6 | 108.9 | -96.1 | -167.8 | 165.9 | 0 | 0 | 113.5 | |||||
| 373 | K | 27.9 | Very low | 33 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 163.2 | 177.6 | -67.7 | 177.3 | 176.3 | 175.9 | 0 | 108.8 | ||||
| 374 | R | 32.2 | Very low | 33.5 | Very low | 227 Ų | 227 | 145.3 Ų | 145.3 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | 179.9 | 128 | 130.2 | -98.9 | 174.4 | 174.4 | -173.9 | 0.5 | 116.1 | ||||
| 375 | H | 33.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 53.5 | 112.3 | 136.2 | -63.6 | -38.3 | 0 | 0 | 0 | 125.8 | ||||
| 376 | S | 33.9 | Very low | 32.7 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | 91.3 | 121.9 | 106.3 | -61.2 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 377 | K | 34.7 | Very low | 32.6 | Very low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 84.1 | 105.8 | 130.5 | -76.2 | -171.9 | 175.3 | -174.2 | 0 | 123.8 | ||||
| 378 | T | 34 | Very low | 32.6 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | 68.8 | 113.3 | 125 | 58 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 379 | S | 34.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 87.2 | 116 | 121.1 | 69.2 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 380 | K | 32.1 | Very low | 32.5 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 80.4 | 119.1 | 131.5 | -81.2 | -174.5 | 173.2 | -178.9 | 0 | 123.3 | ||||
| 381 | I | 31.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 95.3 | 115.5 | 132.8 | -67.7 | 169 | 0 | 0 | 0 | 121 | ||||
| 382 | K | 31.7 | Very low | 32.7 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 53.4 | 104.5 | 147.4 | -71.7 | -178.3 | 177.8 | -176.2 | 0 | 122.9 | ||||
| 383 | S | 29.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | 45.1 | 153.4 | 117.9 | 64.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 384 | P | 40.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | cis | -141.9 | -169.5 | -28.5 | 41.2 | -22.2 | 0 | 0 | 0 | 115.2 | ||||
| 385 | N | 29 | Very low | 33.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | 84.6 | 140.8 | 159.9 | -72.7 | 25 | 0 | 0 | 0 | 122.1 | ||||
| 386 | D | 29.8 | Very low | 33.4 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | 61.9 | 144.8 | 147.2 | -59.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 387 | L | 29.9 | Very low | 33.2 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | cis | -168 | 164.2 | -29.1 | -133.3 | 148.1 | 0 | 0 | 0 | 110.1 | ||||
| 388 | F | 32.6 | Very low | 33 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 70 | 158 | 171.2 | -64.1 | -65 | 0 | 0 | 0 | 117.7 | ||||
| 389 | T | 33.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | cis | -139.7 | 137.1 | 7.5 | 0.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 390 | K | 31.9 | Very low | 33.1 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | 56 | 140.9 | 100.7 | -70 | -172.9 | -178.4 | 172.1 | 0 | 116 | |||||
| 391 | T | 33.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | cis | -151.6 | -178.6 | 7.6 | -4.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 392 | H | 35.9 | Very low | 33 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | cis | -156.9 | 171.2 | 13 | -122 | -44 | 0 | 0 | 0 | 106.7 | ||||
| 393 | S | 37.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -156 | -175.2 | 0.4 | 62.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 394 | N | 33.9 | Very low | 33.3 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | cis | -153.3 | 176.7 | 5.3 | -154.6 | -5 | 0 | 0 | 0 | 111.4 | ||||
| 395 | S | 36.4 | Very low | 32.9 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | trans | 23.4 | 133 | 151.5 | 65.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 396 | K | 33.5 | Very low | 32.9 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | cis | -155.4 | 164.5 | -0.2 | -134.8 | 171 | -179.4 | 177.4 | 0 | 114.1 | ||||
| 397 | L | 31.3 | Very low | 33 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -60.4 | 168.3 | -174.1 | -71.7 | 72.4 | 0 | 0 | 0 | 114.8 | ||||
| 398 | G | 30.6 | Very low | 33 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | cis | -178.9 | -162.9 | 8.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 399 | S | 27.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -141.5 | -166.3 | -154.9 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 400 | P | 42.6 | Very low | 33 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | -139 | -174.2 | -58.9 | 40.9 | -23.8 | 0 | 0 | 0 | 116.1 | |||||
| 401 | T | 27.8 | Very low | 33 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | 37.7 | 128.1 | 150.8 | -36 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 402 | I | 33 | Very low | 32.9 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | 168.5 | 150.1 | 122.2 | -85.4 | 166.3 | 0 | 0 | 0 | 111.5 | |||||
| 403 | S | 28.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -98.9 | -173.7 | -175.3 | -30.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 404 | P | 41 | Very low | 32.7 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -141.2 | -174 | -11.9 | 42.9 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 405 | K | 31.4 | Very low | 32.6 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 71.1 | 104.6 | 148.6 | -79.3 | 173.6 | -178.1 | 174.6 | 0 | 123.2 | ||||
| 406 | K | 29.9 | Very low | 32.4 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | 72.7 | 144.3 | 115.2 | -87.1 | -172 | 174.8 | -174.9 | 0 | 124.3 | |||||
| 407 | I | 31.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 86.7 | 143.9 | 146.7 | -75 | 158 | 0 | 0 | 0 | 119.7 | ||||
| 408 | S | 29.8 | Very low | 32.3 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | cis | -170.7 | 160.2 | -37.2 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 409 | T | 31.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | 65.1 | 163.8 | 158.8 | 63.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 410 | T | 34.2 | Very low | 32.6 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | -160.4 | 169.5 | 33.2 | 17.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 411 | K | 31.9 | Very low | 31.9 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | cis | -175.1 | 161.3 | -23.7 | -122.6 | 178.4 | -170.3 | 167.7 | 0 | 108.1 | ||||
| 412 | Q | 32.2 | Very low | 32 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 132.4 | 145.9 | 150.2 | -76.8 | -168.9 | 46 | 0 | 0 | 114.3 | ||||
| 413 | Q | 35.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 56% | 0.556 | 74% | 0.739 | S | S | * | * | cis | -170.3 | 153.6 | -32.7 | -128.3 | -175.1 | 44 | 0 | 0 | 112.2 | ||||
| 414 | R | 33.7 | Very low | 32 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | trans | 70.1 | 152.9 | 157.8 | -70 | 164.5 | 173.7 | 160.2 | 1.4 | 116.9 | ||||
| 415 | K | 31.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -149 | 135.4 | 2 | -115.1 | 162.8 | 176.4 | -174.7 | 0 | 107.9 | ||||
| 416 | I | 33.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | 52.7 | 115.8 | 94.9 | -53.2 | 175.4 | 0 | 0 | 0 | 112.5 | |||||
| 417 | K | 31.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 146 Ų | 146 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | -171 | 149.7 | 69.9 | -153.2 | 163.4 | -174.1 | -170.3 | 0 | 117.2 | |||||
| 418 | D | 30.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -25.1 | 145.7 | 163.3 | -13.2 | -50.3 | 0 | 0 | 0 | 121.2 | ||||
| 419 | F | 30.4 | Very low | 31.4 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | -174.1 | 172.2 | 102.7 | -115.3 | -86.6 | 0 | 0 | 0 | 115.8 | |||||
| 420 | H | 32.4 | Very low | 31.4 | Very low | 183 Ų | 183 | 146 Ų | 146 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | -83.5 | 167.9 | -176.3 | -69.7 | -100 | 0 | 0 | 0 | 115.7 | ||||
| 421 | G | 29.6 | Very low | 31.4 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 168.8 | 140.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 422 | S | 28.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -137.2 | 172.3 | 178.2 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 423 | D | 31.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 85.2 | 109.3 | 157 | -61.1 | -64.6 | 0 | 0 | 0 | 122.1 | ||||
| 424 | N | 29.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | 74.4 | 152.2 | 126.1 | -68.8 | -48.6 | 0 | 0 | 0 | 124.5 | |||||
| 425 | A | 31 | Very low | 31.3 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | 98 | 97.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 426 | L | 28.2 | Very low | 31.8 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | 38.4 | 118.1 | 120.5 | -60.2 | 165.5 | 0 | 0 | 0 | 120.1 | |||||
| 427 | R | 30.6 | Very low | 31.9 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | -179.4 | 144.5 | 103.7 | -106.3 | -178.6 | 172.5 | -125.5 | -0.4 | 117.3 | |||||
| 428 | S | 31.2 | Very low | 31.8 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | 27.1 | 123.3 | 147.6 | 59.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 429 | S | 29.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 42.7 | 130.1 | 114.9 | -40.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 430 | D | 31.7 | Very low | 32.4 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | -164.9 | -165.1 | 99 | -100 | -10.9 | 0 | 0 | 0 | 112.6 | |||||
| 431 | S | 34.1 | Very low | 32.5 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -137.9 | 172.2 | -138 | 63.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 432 | N | 32.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | 72.8 | 141.6 | 157.7 | -66 | -31.5 | 0 | 0 | 0 | 117.5 | ||||
| 433 | H | 32.2 | Very low | 32.8 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | cis | -179.3 | 170 | 19.8 | -121.7 | 15.4 | 0 | 0 | 0 | 112.1 | ||||
| 434 | H | 33.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 85.3 | 121.3 | 149.9 | -73.2 | 17 | 0 | 0 | 0 | 123.1 | ||||
| 435 | H | 33.6 | Very low | 33.3 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -83.1 | 163.9 | 153.2 | -89.1 | -76.9 | 0 | 0 | 0 | 111.1 | ||||
| 436 | P | 41.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | -131.3 | -163.2 | 112.7 | 36.4 | -26.7 | 0 | 0 | 0 | 113.3 | |||||
| 437 | S | 34.6 | Very low | 33.5 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -156.8 | 157.1 | -151.4 | 67.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 438 | K | 29.3 | Very low | 33.7 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | 71.4 | 169.3 | 157.9 | -71.7 | 175.5 | 179.6 | 176.6 | 0 | 116.1 | ||||
| 439 | P | 43.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | cis | -138.7 | 161.2 | 11.5 | 43.2 | -25.1 | 0 | 0 | 0 | 120 | ||||
| 440 | F | 31.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 139 Ų | 139 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 51.4 | 121.4 | 139.4 | -82.8 | -111.7 | 0 | 0 | 0 | 125.8 | ||||
| 441 | R | 33 | Very low | 34.1 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | 105.4 | 138.1 | 122.5 | -101.3 | -176.1 | 169.2 | -119.1 | 6.5 | 124.4 | |||||
| 442 | D | 33 | Very low | 34.1 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | trans | 70.9 | 95 | 147.2 | -56.1 | -27.2 | 0 | 0 | 0 | 124.6 | ||||
| 443 | S | 33.2 | Very low | 34 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 68.8 | 119.1 | 120.6 | -66.9 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 444 | I | 37.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 89.6 | 111.6 | 129.6 | -64.6 | 169.2 | 0 | 0 | 0 | 121.1 | |||||
| 445 | D | 32.8 | Very low | 33.8 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | 46 | 134.3 | 144.1 | -57.2 | -17.1 | 0 | 0 | 0 | 124.8 | ||||
| 446 | G | 31.3 | Very low | 34 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -175.6 | 60 | 177 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 447 | T | 34 | Very low | 33.3 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | 49.4 | 109.1 | 155 | 51.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 448 | Q | 34 | Very low | 33.4 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | 67.9 | 135.8 | 123.3 | -58.7 | -171 | 18 | 0 | 0 | 125.7 | |||||
| 449 | S | 32.4 | Very low | 33.5 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 89.7 | 92.7 | 140.2 | 66.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 450 | L | 28.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | 54.1 | 161.6 | 109.9 | -72.1 | 175.1 | 0 | 0 | 0 | 122.4 | |||||
| 451 | P | 41 | Very low | 32.7 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -140 | -179.4 | -8.7 | 36.7 | -16.3 | 0 | 0 | 0 | 118.2 | ||||
| 452 | R | 33.2 | Very low | 32.5 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 89.9 | 117 | 144.7 | -91.8 | 178.1 | 177.6 | 169.3 | 0.5 | 123.6 | ||||
| 453 | N | 30.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 147 Ų | 147 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | trans | 39.4 | 141.7 | 133 | -49.4 | 10 | 0 | 0 | 0 | 120.9 | ||||
| 454 | H | 34.8 | Very low | 32 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | cis | -141.1 | 176.2 | 28.2 | -89 | -88.5 | 0 | 0 | 0 | 112 | ||||
| 455 | G | 27.3 | Very low | 31.7 | Very low | 73 Ų | 73 | 150.4 Ų | 150.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -138 | -174.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 456 | Q | 36.8 | Very low | 31.4 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -149.7 | 158.3 | 170.9 | -94.8 | 179.3 | 10 | 0 | 0 | 110.6 | ||||
| 457 | T | 27.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -124.9 | 158.3 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 458 | P | 37.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 158 Ų | 158 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -100.9 | 168.9 | 143.5 | -11.2 | 30.1 | 0 | 0 | 0 | 111.6 | ||||
| 459 | K | 30.3 | Very low | 30.8 | Very low | 189 Ų | 189 | 158.7 Ų | 158.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -110.9 | 144.8 | -173.7 | -56.3 | 170 | -177.2 | 174 | 0 | 111.4 | ||||
| 460 | E | 31.7 | Very low | 30.7 | Very low | 194 Ų | 194 | 162.2 Ų | 162.2 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -117.3 | 169.1 | 145.2 | -73.2 | -157.8 | 124.2 | 0 | 0 | 109.8 | ||||
| 461 | L | 26.9 | Very low | 30.7 | Very low | 155 Ų | 155 | 162.3 Ų | 162.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -110.1 | 161.1 | -172.2 | -80.8 | 76.8 | 0 | 0 | 0 | 112.2 | ||||
| 462 | K | 27.9 | Very low | 30.2 | Very low | 187 Ų | 187 | 162.9 Ų | 162.9 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 103.8 | 148.4 | 153.3 | -73.1 | -176.4 | 176.2 | -179.5 | 0 | 119.5 | ||||
| 463 | D | 31.6 | Very low | 30.6 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 67.3 | 86.1 | 160.1 | -53.4 | -15.5 | 0 | 0 | 0 | 118.6 | H465 | D463-H465 VanDerWaalsContact C-N 3.33Å; D463-H465 PolarHBondContact O-N 3.22Å | ||
| 464 | N | 25.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 82.3 | 166.4 | -78.5 | -19.7 | 0 | 0 | 0 | 112.1 | ||||
| 465 | H | 30.9 | Very low | 31.5 | Very low | 156 Ų | 156 | 154 Ų | 154 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -100.2 | 87.6 | 159.9 | -79.8 | -47 | 0 | 0 | 0 | 110.8 | D463 Y467 | D463-H465 VanDerWaalsContact C-N 3.33Å; D463-H465 PolarHBondContact O-N 3.22Å; H465-Y467 HydrophobicContact CB-CD2 4.41Å; H465-Y467 PolarHBondContact O-N 3.21Å | ||
| 466 | N | 26.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 63.8 | 168.8 | -104.3 | 4.3 | 0 | 0 | 0 | 111.3 | H468 | N466-H468 VanDerWaalsContact C-N 3.35Å; N466-H468 PolarHBondContact O-N 2.96Å; N466-H468 VanDerWaalsContact O-N 3.14Å | ||
| 467 | Y | 28.4 | Very low | 33.9 | Very low | 208 Ų | 208 | 154.4 Ų | 154.4 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -72.2 | 97.7 | 154 | -86.4 | -81 | 0 | 0 | 0 | 107.4 | H465 | H465-Y467 HydrophobicContact CB-CD2 4.41Å; H465-Y467 PolarHBondContact O-N 3.21Å | ||
| 468 | H | 31.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | -48.7 | 143.3 | 166.3 | -84.9 | -93.8 | 0 | 0 | 0 | 109.9 | N466 R470 | N466-H468 VanDerWaalsContact C-N 3.35Å; N466-H468 PolarHBondContact O-N 2.96Å; N466-H468 VanDerWaalsContact O-N 3.14Å; H468-R470 VanDerWaalsContact C-N 3.33Å; H468-R470 PolarHBondContact O-N 2.84Å | ||
| 469 | H | 26.9 | Very low | 37.4 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 90% | 0.903 | 71% | 0.71 | S | S | * | * | trans | -52.7 | 97.1 | 169.1 | -100.7 | -72.8 | 0 | 0 | 0 | 109.5 | E471 | H469-E471 PolarHBondContact O-N 3.48Š| ||
| 470 | R | 29.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | trans | -80.6 | 108.5 | 167.9 | -148.1 | 177.7 | -164.5 | -145 | -0.7 | 105.4 | H468 R544 | H468-R470 VanDerWaalsContact C-N 3.33Å; H468-R470 PolarHBondContact O-N 2.84Å; R470-R544 PolarHBondContact NH1-O 2.96Å; R470-R544 VanDerWaalsContact NH1-O 3.13Å; R470-R544 PolarHBondContact NH2-O 3.05Å | ||
| 471 | E | 27.9 | Very low | 41.4 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | trans | -52.2 | 143 | 177.6 | -62.7 | -179.9 | 133.6 | 0 | 0 | 109.9 | H469 I473 | H469-E471 PolarHBondContact O-N 3.48Å; E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.36Å | ||
| 472 | S | 31.8 | Very low | 44.1 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | trans | -66 | 90.1 | -177.5 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | H474 | S472-H474 PolarHBondContact O-N 2.9Š| ||
| 473 | I | 40.6 | Very low | 46.9 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | trans | -59.1 | 101.5 | 179.1 | -54.3 | -179.3 | 0 | 0 | 0 | 107.8 | E471 L475 | E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.36Å; I473-L475 HydrophobicContact CG2-CD2 4.06Å; I473-L475 HydrophobicContact CG2-CG 4.09Å; I473-L475 PolarHBondContact O-N 2.86Å | ||
| 474 | H | 34.9 | Very low | 49.7 | Very low | 175 Ų | 175 | 122.2 Ų | 122.2 | 81% | 0.81 | 60% | 0.598 | S | S | * | * | trans | -79.4 | 74.1 | -173.7 | -152.9 | -52.2 | 0 | 0 | 0 | 109.1 | S472 K476 | S472-H474 PolarHBondContact O-N 2.9Å; H474-K476 VanDerWaalsContact C-N 3.34Å; H474-K476 PolarHBondContact O-N 3.46Å | ||
| 475 | L | 49 | Very low | 52.8 | Low | 68 Ų | 68 | 118 Ų | 118 | 36% | 0.356 | 58% | 0.578 | S | S | . | * | trans | -56.8 | 89.1 | -175.8 | -74.5 | 168.2 | 0 | 0 | 0 | 111.2 | I473 F477 G546 I597 | I473-L475 HydrophobicContact CG2-CD2 4.06Å; I473-L475 HydrophobicContact CG2-CG 4.09Å; I473-L475 PolarHBondContact O-N 2.86Å; L475-F477 PolarHBondContact O-N 2.63Å; L475-G546 WeakPolarHBondContact CD2-O 3.32Å; L475-I597 HydrophobicContact CD1-CG2 4.28Å | ||
| 476 | K | 53.7 | Low | 55.7 | Low | 188 Ų | 188 | 110.8 Ų | 110.8 | 82% | 0.817 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 118.3 | 163.6 | -74.9 | -176 | 175.8 | 179.1 | 0 | 107.4 | H474 | H474-K476 VanDerWaalsContact C-N 3.34Å; H474-K476 PolarHBondContact O-N 3.46Å |
| 477 | F | 60.5 | Low | 58.8 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 139.1 | 169.2 | -79.5 | -92 | 0 | 0 | 0 | 109.9 | L475 I597 | L475-F477 PolarHBondContact O-N 2.63Å; F477-I597 HydrophobicContact CD1-CD1 3.79Å; F477-I597 HydrophobicContact CD2-CD1 4.43Å; F477-I597 HydrophobicContact CE1-CB 4.21Å; F477-I597 HydrophobicContact CE1-CD1 3.46Å; F477-I597 VanDerWaalsContact CE1-CD1 3.46Å; F477-I597 HydrophobicContact CE1-CG1 3.73Å; F477-I597 HydrophobicContact CE2-CB 4.32Å; F477-I597 HydrophobicContact CE2-CD1 4.14Å; F477-I597 HydrophobicContact CG-CD1 4.29Å; F477-I597 HydrophobicContact CZ-CB 3.69Å; F477-I597 HydrophobicContact CZ-CD1 3.66Å; F477-I597 HydrophobicContact CZ-CG1 3.76Å |
| 478 | P | 69 | Low | 61.7 | Low | 14 Ų | 14 | 99.7 Ų | 99.7 | 9% | 0.091 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 145.7 | 179.3 | 29.6 | -35 | 0 | 0 | 0 | 110.8 | P480 F549 A587 L593 | P478-P480 WeakPolarHBondContact O-CD 3.49Å; P478-F549 HydrophobicContact CG-CD2 3.93Å; P478-F549 HydrophobicContact CG-CE2 4.04Å; P478-A587 HydrophobicContact CB-CB 4.24Å; P478-A587 HydrophobicContact CG-CB 4.11Å; P478-L593 HydrophobicContact CG-CD1 3.84Å |
| 479 | Q | 71.3 | Confident | 64.6 | Low | 143 Ų | 143 | 99.2 Ų | 99.2 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 126 | 178 | -72.5 | -177.4 | -13.5 | 0 | 0 | 110.5 | G481 V482 | Q479-G481 PolarHBondContact O-N 2.89Å; Q479-V482 HydrophobicContact CB-CB 4.01Å; Q479-V482 HydrophobicContact CB-CG2 3.71Å; Q479-V482 PolarHBondContact O-N 2.88Å; Q479-V482 VanDerWaalsContact O-N 3.15Å |
| 480 | P | 72 | Confident | 67.6 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 56% | 0.558 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 132.2 | 174.8 | -29.4 | 37.1 | 0 | 0 | 0 | 112 | P478 V482 P588 | P478-P480 WeakPolarHBondContact O-CD 3.49Å; P480-V482 VanDerWaalsContact C-N 3.26Å; P480-V482 PolarHBondContact O-N 3.26Å; P480-P588 WeakPolarHBondContact CB-O 3.18Å |
| 481 | G | 73 | Confident | 70.3 | Confident | 12 Ų | 12 | 87.7 Ų | 87.7 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -0.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q479 Q586 A587 K589 | Q479-G481 PolarHBondContact O-N 2.89Å; G481-Q586 PolarHBondContact O-NE2 3.14Å; G481-A587 WeakPolarHBondContact CA-O 3.43Å; G481-A587 PolarHBondContact N-O 2.8Å; G481-K589 VanDerWaalsContact CA-CG 3.43Å |
| 482 | V | 82.8 | Confident | 73.3 | Confident | 68 Ų | 68 | 84.4 Ų | 84.4 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | trans | -99.7 | 119.9 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | Q479 P480 | Q479-V482 HydrophobicContact CB-CB 4.01Å; Q479-V482 HydrophobicContact CB-CG2 3.71Å; Q479-V482 PolarHBondContact O-N 2.88Å; Q479-V482 VanDerWaalsContact O-N 3.15Å; P480-V482 VanDerWaalsContact C-N 3.26Å; P480-V482 PolarHBondContact O-N 3.26Å | ||
| 483 | P | 87.2 | Confident | 75.9 | Confident | 66 Ų | 66 | 82.4 Ų | 82.4 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 135.5 | 170.7 | -21.9 | 34 | 0 | 0 | 0 | 111.3 | L555 L584 V585 Q586 | P483-L555 HydrophobicContact CB-CD1 4.15Å; P483-L555 HydrophobicContact CG-CD1 4.26Å; P483-L584 HydrophobicContact CB-CD1 4.27Å; P483-L584 HydrophobicContact CB-CG 4.5Å; P483-V585 CarbonylContact C-O 3.45Å; P483-V585 WeakPolarHBondContact CA-O 3.41Å; P483-Q586 HydrophobicContact CB-CB 4.49Å; P483-Q586 HydrophobicContact CG-CB 4.41Å; P483-Q586 HydrophobicContact CG-CG 4.19Å |
| 484 | R | 90.9 | Very high | 77.9 | Confident | 49 Ų | 49 | 79.6 Ų | 79.6 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | 177.4 | 71 | -176.6 | -165.8 | -80.5 | 1.2 | 110.3 | V486 C547 D552 V585 | R484-V486 HydrophobicContact CG-CG2 4.4Å; R484-C547 PolarHBondContact NH2-O 2.84Å; R484-D552 IonicContact CZ-OD1 3.8Å; R484-D552 IonicContact CZ-OD2 2.71Å; R484-D552 IonicContact NH1-OD1 2.64Å; R484-D552 PolarHBondContact NH1-OD1 2.89Å; R484-D552 IonicContact NH1-OD2 2.84Å; R484-D552 VanDerWaalsContact NH2-CG 3.34Å; R484-D552 IonicContact NH2-OD1 3.08Å; R484-D552 PolarHBondContact NH2-OD1 2.68Å; R484-D552 IonicContact NH2-OD2 3.98Å; R484-D552 PolarHBondContact NH2-OD2 2.8Å; R484-V585 HydrophobicContact CG-CG2 3.87Å; R484-V585 PolarHBondContact N-O 2.85Å; R484-V585 PolarHBondContact O-N 3.17Å; R484-V585 VanDerWaalsContact O-O 3.08Å |
| 485 | V | 90.9 | Very high | 80.4 | Confident | 77 Ų | 77 | 72 Ų | 72 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.5 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | H487 K582 L583 L584 | V485-H487 VanDerWaalsContact CG1-CD2 3.47Å; V485-H487 WeakPolarHBondContact CG1-CD2 3.46Å; V485-H487 WeakPolarHBondContact CG1-NE2 3.33Å; V485-K582 HydrophobicContact CG1-CD 4.27Å; V485-K582 HydrophobicContact CG1-CG 3.84Å; V485-L583 WeakPolarHBondContact CA-O 3.32Å; V485-L584 HydrophobicContact CG2-CD1 3.81Å |
| 486 | V | 90 | Very high | 82.2 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.8 | 171.1 | 170.8 | 0 | 0 | 0 | 0 | 108.3 | R484 L488 C547 L548 L583 V585 | R484-V486 HydrophobicContact CG-CG2 4.4Å; V486-L488 HydrophobicContact CG1-CD2 4.1Å; V486-L488 HydrophobicContact CG1-CG 4.22Å; V486-C547 HydrophobicContact CB-CB 4.41Å; V486-C547 HydrophobicContact CG1-CB 3.48Å; V486-C547 VanDerWaalsContact CG1-CB 3.48Å; V486-C547 HydrophobicContact CG2-CB 4.07Å; V486-L548 HydrophobicContact CB-CD2 4.08Å; V486-L548 HydrophobicContact CG1-CD2 3.88Å; V486-L548 HydrophobicContact CG1-CG 4.14Å; V486-L548 HydrophobicContact CG2-CD2 4.01Å; V486-L583 PolarHBondContact N-O 3.07Å; V486-L583 PolarHBondContact O-N 3.26Å; V486-V585 HydrophobicContact CB-CG2 4.42Å; V486-V585 HydrophobicContact CG2-CG2 3.68Å |
| 487 | H | 91.6 | Very high | 83.8 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 57% | 0.569 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.6 | 170 | -70.4 | -170.9 | 0 | 0 | 0 | 108.1 | V485 Q545 | V485-H487 VanDerWaalsContact CG1-CD2 3.47Å; V485-H487 WeakPolarHBondContact CG1-CD2 3.46Å; V485-H487 WeakPolarHBondContact CG1-NE2 3.33Å; H487-Q545 PolarHBondContact O-OE1 3.1Å |
| 488 | L | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.9 | 168.1 | -66 | -175.9 | 0 | 0 | 0 | 109.3 | V486 L497 L541 A542 Q545 L548 C581 L583 | V486-L488 HydrophobicContact CG1-CD2 4.1Å; V486-L488 HydrophobicContact CG1-CG 4.22Å; L488-L497 HydrophobicContact CD1-CB 4.31Å; L488-L497 HydrophobicContact CD1-CD1 4.38Å; L488-L497 HydrophobicContact CD1-CD2 4.03Å; L488-L497 HydrophobicContact CD1-CG 4.46Å; L488-L541 HydrophobicContact CB-CD2 4.09Å; L488-L541 HydrophobicContact CB-CG 4.31Å; L488-A542 HydrophobicContact CD1-CB 4.28Å; L488-Q545 HydrophobicContact CD2-CB 4.26Å; L488-L548 HydrophobicContact CD1-CD1 3.84Å; L488-C581 HydrophobicContact CB-CB 4.48Å; L488-C581 PolarHBondContact N-O 3.17Å; L488-C581 PolarHBondContact O-N 3.27Å; L488-L583 HydrophobicContact CD1-CD1 4.07Å |
| 489 | R | 91.6 | Very high | 86 | Confident | 150 Ų | 150 | 61.2 Ų | 61.2 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.6 | -179.9 | 178.7 | 166.6 | 177.8 | 153.4 | -1.9 | 111.8 | L541 Q545 I579 D580 | R489-L541 WeakPolarHBondContact O-CD1 3.41Å; R489-Q545 VanDerWaalsContact N-OE1 3.15Å; R489-Q545 PolarHBondContact O-NE2 3.1Å; R489-I579 HydrophobicContact CG-CG2 3.91Å; R489-D580 WeakPolarHBondContact CB-OD1 3.27Å; R489-D580 VanDerWaalsContact CD-OD1 3.29Å; R489-D580 WeakPolarHBondContact CD-OD1 3.41Å; R489-D580 WeakPolarHBondContact CG-OD1 3.43Å |
| 490 | R | 90.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | trans | -64.1 | 146.3 | 179.3 | -59.9 | -179.8 | 172 | 106.1 | -5.2 | 111.3 | H492 E495 L541 T575 L578 I579 | R490-H492 VanDerWaalsContact C-N 3.3Å; R490-H492 WeakPolarHBondContact CB-O 3.41Å; R490-E495 HydrophobicContact CB-CB 3.99Å; R490-E495 WeakPolarHBondContact CD-O 3.26Å; R490-E495 HydrophobicContact CG-CB 4.01Å; R490-E495 PolarHBondContact NE-O 3.12Å; R490-L541 HydrophobicContact CB-CD2 4.2Å; R490-L541 HydrophobicContact CG-CD2 3.56Å; R490-T575 PolarHBondContact NH1-O 2.89Å; R490-L578 WeakPolarHBondContact CD-O 3.42Å; R490-L578 PolarHBondContact NH1-O 3.1Å; R490-I579 WeakPolarHBondContact CB-O 3.2Å; R490-I579 PolarHBondContact N-O 3.38Å | ||
| 491 | D | 87.8 | Confident | 87.4 | Confident | 124 Ų | 124 | 52.7 Ų | 52.7 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -76.6 | -22.8 | 172.2 | -69.2 | -46.5 | 0 | 0 | 0 | 111.6 | E495 R544 | D491-E495 PolarHBondContact N-OE2 3.49Å; D491-R544 IonicContact OD2-CZ 2.66Å; D491-R544 IonicContact OD2-NE 4Å; D491-R544 IonicContact OD2-NH2 2.77Å; D491-R544 PolarHBondContact OD2-NH2 2.88Å |
| 492 | H | 89.2 | Confident | 87.8 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -151.1 | 155.5 | 171.3 | 62 | 82.6 | 0 | 0 | 0 | 112 | R490 E495 | R490-H492 VanDerWaalsContact C-N 3.3Å; R490-H492 WeakPolarHBondContact CB-O 3.41Å; H492-E495 WeakPolarHBondContact O-CB 3.27Å; H492-E495 PolarHBondContact O-N 3.36Å |
| 493 | P | 86.8 | Confident | 87.7 | Confident | 77 Ų | 77 | 54 Ų | 54 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 141.8 | 167.5 | -28.3 | 37 | 0 | 0 | 0 | 112.1 | E495 I579 | P493-E495 VanDerWaalsContact C-N 3.33Å; P493-I579 HydrophobicContact CG-CG1 4.46Å |
| 494 | G | 83.8 | Confident | 86.8 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N496 S576 | G494-N496 PolarHBondContact O-N 3.25Å; G494-S576 WeakPolarHBondContact CA-O 3.39Å; G494-S576 PolarHBondContact N-O 3.25Å |
| 495 | E | 87.1 | Confident | 85.2 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | trans | -66.7 | 121.7 | 175.4 | -162.1 | -171.4 | 177.1 | 0 | 0 | 111.5 | R490 D491 H492 P493 R544 | R490-E495 HydrophobicContact CB-CB 3.99Å; R490-E495 WeakPolarHBondContact CD-O 3.26Å; R490-E495 HydrophobicContact CG-CB 4.01Å; R490-E495 PolarHBondContact NE-O 3.12Å; D491-E495 PolarHBondContact N-OE2 3.49Å; H492-E495 WeakPolarHBondContact O-CB 3.27Å; H492-E495 PolarHBondContact O-N 3.36Å; P493-E495 VanDerWaalsContact C-N 3.33Å; E495-R544 VanDerWaalsContact CD-NH2 3.3Å; E495-R544 IonicContact OE1-CZ 3.67Å; E495-R544 IonicContact OE1-NH1 2.65Å; E495-R544 PolarHBondContact OE1-NH1 2.75Å; E495-R544 IonicContact OE1-NH2 3.63Å; E495-R544 PolarHBondContact OE1-NH2 3.4Å; E495-R544 IonicContact OE2-NH2 3.88Å; E495-R544 PolarHBondContact OE2-NH2 3.08Å; E495-R544 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 496 | N | 85.7 | Confident | 83.2 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | trans | -67.3 | 132.5 | 174 | -173.3 | -19.7 | 0 | 0 | 0 | 110.4 | G494 G498 | G494-N496 PolarHBondContact O-N 3.25Å; N496-G498 PolarHBondContact O-N 3.02Å; N496-G498 PolarHBondContact OD1-N 2.74Å | ||
| 497 | L | 88.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | trans | -56.8 | -30.6 | 177 | -51 | -176.5 | 0 | 0 | 0 | 112.3 | L488 I499 S540 L541 A542 I572 C581 | L488-L497 HydrophobicContact CD1-CB 4.31Å; L488-L497 HydrophobicContact CD1-CD1 4.38Å; L488-L497 HydrophobicContact CD1-CD2 4.03Å; L488-L497 HydrophobicContact CD1-CG 4.46Å; L497-I499 HydrophobicContact CB-CG1 4.42Å; L497-S540 WeakPolarHBondContact O-CB 3.48Å; L497-S540 PolarHBondContact O-OG 3.26Å; L497-L541 HydrophobicContact CD2-CD2 3.95Å; L497-A542 WeakPolarHBondContact O-CB 3.43Å; L497-A542 PolarHBondContact O-N 2.59Å; L497-A542 VanDerWaalsContact O-N 3.07Å; L497-I572 HydrophobicContact CD1-CD1 4.2Å; L497-I572 HydrophobicContact CD1-CG1 4.35Å; L497-I572 HydrophobicContact CD1-CG2 4.48Å; L497-C581 HydrophobicContact CD2-CB 4.27Å | ||
| 498 | G | 87.2 | Confident | 78 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | trans | 70.3 | 43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N496 L537 S540 | N496-G498 PolarHBondContact O-N 3.02Å; N496-G498 PolarHBondContact OD1-N 2.74Å; G498-L537 WeakPolarHBondContact O-CB 3.27Å; G498-L537 WeakPolarHBondContact O-CG 3.36Å; G498-L537 PolarHBondContact O-N 3.16Å; G498-S540 PolarHBondContact O-OG 3.35Å | ||
| 499 | I | 88.5 | Confident | 75.3 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 153.6 | 169.2 | 62.1 | 176.8 | 0 | 0 | 0 | 109.7 | L497 I533 R535 V536 A542 L548 | L497-I499 HydrophobicContact CB-CG1 4.42Å; I499-I533 HydrophobicContact CB-CG2 4.31Å; I499-I533 HydrophobicContact CD1-CD1 4.21Å; I499-I533 HydrophobicContact CD1-CG1 4.44Å; I499-I533 HydrophobicContact CG2-CG2 4.42Å; I499-R535 WeakPolarHBondContact CA-O 3.25Å; I499-V536 HydrophobicContact CG2-CG2 4.2Å; I499-A542 HydrophobicContact CG2-CB 3.57Å; I499-L548 HydrophobicContact CD1-CD1 4.41Å; I499-L548 HydrophobicContact CG2-CD1 4.04Å |
| 500 | T | 83.6 | Confident | 72.5 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.7 | 165.3 | 67.3 | 0 | 0 | 0 | 0 | 108.7 | Q534 R535 | T500-Q534 WeakPolarHBondContact O-CA 3.39Å; T500-Q534 WeakPolarHBondContact O-CB 3.42Å; T500-Q534 PolarHBondContact O-N 2.87Å; T500-R535 PolarHBondContact N-O 3.44Å; T500-R535 PolarHBondContact O-N 2.85Å; T500-R535 WeakPolarHBondContact OG1-CB 3.1Å; T500-R535 VanDerWaalsContact OG1-CD 3.31Å; T500-R535 WeakPolarHBondContact OG1-CD 3.48Å; T500-R535 WeakPolarHBondContact OG1-CG 3.48Å; T500-R535 PolarHBondContact OG1-N 2.82Å |
| 501 | V | 87.7 | Confident | 69.8 | Low | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.188 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 154.2 | 176.4 | -72.5 | 0 | 0 | 0 | 0 | 111.7 | I531 S532 I533 L554 L565 V568 | V501-I531 HydrophobicContact CB-CG2 3.89Å; V501-I531 HydrophobicContact CG1-CG2 4.06Å; V501-S532 CarbonylContact C-O 3.59Å; V501-S532 WeakPolarHBondContact CA-O 3.02Å; V501-I533 HydrophobicContact CG1-CG1 4.45Å; V501-L554 HydrophobicContact CG1-CD2 4.25Å; V501-L565 HydrophobicContact CB-CD2 4.36Å; V501-L565 HydrophobicContact CG2-CD2 3.87Å; V501-V568 HydrophobicContact CG2-CG1 4.07Å |
| 502 | A | 81.8 | Confident | 67.3 | Low | 23 Ų | 23 | 62.9 Ų | 62.9 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S532 Q534 | A502-S532 PolarHBondContact N-O 2.88Å; A502-S532 PolarHBondContact O-N 3.12Å; A502-Q534 HydrophobicContact CB-CB 3.96Å; A502-Q534 HydrophobicContact CB-CG 4.3Å |
| 503 | L | 81.8 | Confident | 64.5 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.5 | 172.7 | -159.8 | 76.7 | 0 | 0 | 0 | 108.8 | P529 I531 L565 | L503-P529 HydrophobicContact CD1-CB 3.83Å; L503-P529 HydrophobicContact CD1-CG 4.33Å; L503-P529 HydrophobicContact CD2-CB 3.96Å; L503-P529 HydrophobicContact CG-CB 3.83Å; L503-I531 HydrophobicContact CD1-CG1 4.07Å; L503-L565 HydrophobicContact CB-CD1 4.25Å; L503-L565 HydrophobicContact CB-CD2 4.48Å; L503-L565 HydrophobicContact CB-CG 4.33Å; L503-L565 HydrophobicContact CD1-CG 4.37Å |
| 504 | C | 66.4 | Low | 62 | Low | 50 Ų | 50 | 63.2 Ų | 63.2 | 34% | 0.338 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.5 | 179.3 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | P506 I530 S532 | C504-P506 VanDerWaalsContact O-CD 3.28Å; C504-P506 WeakPolarHBondContact O-CD 3.29Å; C504-I530 PolarHBondContact N-O 2.98Å; C504-I530 WeakPolarHBondContact O-CB 3.39Å; C504-I530 PolarHBondContact O-N 3.04Å; C504-S532 PolarHBondContact SG-OG 2.83Å |
| 505 | T | 58.1 | Low | 59.7 | Low | 114 Ų | 114 | 66 Ų | 66 | 70% | 0.699 | 42% | 0.42 | S | S | * | . | trans | -71.8 | 117.8 | 166.6 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | S507 | T505-S507 PolarHBondContact O-N 3.36Å; T505-S507 VanDerWaalsContact O-N 3.07Å | ||
| 506 | P | 49.1 | Very low | 57.1 | Low | 36 Ų | 36 | 71.8 Ų | 71.8 | 23% | 0.234 | 46% | 0.456 | C | S | . | . | trans | -67.9 | 111.1 | 172.7 | 28.7 | -33.4 | 0 | 0 | 0 | 108 | C504 E528 I530 | C504-P506 VanDerWaalsContact O-CD 3.28Å; C504-P506 WeakPolarHBondContact O-CD 3.29Å; P506-E528 WeakPolarHBondContact CD-O 3.47Å; P506-I530 HydrophobicContact CB-CD1 3.89Å; P506-I530 HydrophobicContact CG-CD1 3.78Å; P506-I530 HydrophobicContact CG-CG1 4.05Å | ||
| 507 | S | 38.3 | Very low | 54.6 | Low | 39 Ų | 39 | 71.5 Ų | 71.5 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 137 | 170.8 | 31 | 0 | 0 | 0 | 0 | 109.6 | K116 T505 T509 | K116-S507 VanDerWaalsContact CD-OG 3.23Å; K116-S507 WeakPolarHBondContact CD-OG 3.49Å; K116-S507 WeakPolarHBondContact CE-OG 3.4Å; K116-S507 PolarHBondContact NZ-O 3.45Å; T505-S507 PolarHBondContact O-N 3.36Å; T505-S507 VanDerWaalsContact O-N 3.07Å; S507-T509 PolarHBondContact O-N 2.82Å |
| 508 | P | 34 | Very low | 51.9 | Low | 98 Ų | 98 | 79.7 Ų | 79.7 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 135.6 | -159.9 | 21.7 | -33.9 | 0 | 0 | 0 | 111.9 | T510 | P508-T510 PolarHBondContact O-N 2.88Š|
| 509 | T | 34.5 | Very low | 49.4 | Very low | 104 Ų | 104 | 86.4 Ų | 86.4 | 64% | 0.638 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 117.7 | 178.1 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | S507 S511 | S507-T509 PolarHBondContact O-N 2.82Å; T509-S511 PolarHBondContact O-N 2.79Å |
| 510 | T | 32.4 | Very low | 46.8 | Very low | 129 Ų | 129 | 88.6 Ų | 88.6 | 79% | 0.791 | 56% | 0.561 | S | S | * | * | trans | -72.5 | 57.3 | 173.6 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | P508 S512 | P508-T510 PolarHBondContact O-N 2.88Å; T510-S512 PolarHBondContact O-N 3.29Å | ||
| 511 | S | 34.4 | Very low | 44.4 | Very low | 81 Ų | 81 | 93.9 Ų | 93.9 | 57% | 0.566 | 59% | 0.587 | S | S | * | * | trans | -66 | 120.9 | 167.9 | 52.9 | 0 | 0 | 0 | 0 | 109.5 | T509 S513 | T509-S511 PolarHBondContact O-N 2.79Å; S511-S513 PolarHBondContact O-N 2.9Å | ||
| 512 | S | 33.9 | Very low | 41.8 | Very low | 134 Ų | 134 | 97.8 Ų | 97.8 | 94% | 0.937 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -74.6 | 46.9 | -174.2 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | T510 | T510-S512 PolarHBondContact O-N 3.29Š|
| 513 | S | 31.2 | Very low | 39.5 | Very low | 80 Ų | 80 | 103.6 Ų | 103.6 | 56% | 0.559 | 64% | 0.638 | S | S | * | * | trans | -113.1 | 122.5 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | S511 | S511-S513 PolarHBondContact O-N 2.9Š| ||
| 514 | P | 34.1 | Very low | 37.3 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | trans | -61 | 147.5 | 173.1 | 27.9 | -34.4 | 0 | 0 | 0 | 109.8 | T516 | P514-T516 PolarHBondContact O-N 3.43Å; P514-T516 VanDerWaalsContact O-N 3.08Å | ||
| 515 | P | 35 | Very low | 36 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | trans | -61.1 | 116.7 | 178.1 | 25.4 | -33.5 | 0 | 0 | 0 | 109.5 | S517 | P515-S517 PolarHBondContact O-N 3.42Š| ||
| 516 | T | 33.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 111.5 Ų | 111.5 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | trans | -69.3 | 92 | -176 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | P514 F518 | P514-T516 PolarHBondContact O-N 3.43Å; P514-T516 VanDerWaalsContact O-N 3.08Å; T516-F518 VanDerWaalsContact C-N 3.34Å; T516-F518 PolarHBondContact O-N 2.96Å | ||
| 517 | S | 31.7 | Very low | 35.6 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -74 | 77.8 | -174.9 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | P515 | P515-S517 PolarHBondContact O-N 3.42Š| ||
| 518 | F | 33.7 | Very low | 36.9 | Very low | 174 Ų | 174 | 116.5 Ų | 116.5 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -82.3 | 115.7 | 163.9 | -139.9 | -94.6 | 0 | 0 | 0 | 109.1 | T516 G520 | T516-F518 VanDerWaalsContact C-N 3.34Å; T516-F518 PolarHBondContact O-N 2.96Å; F518-G520 VanDerWaalsContact C-N 3.34Å; F518-G520 PolarHBondContact O-N 3.36Å |
| 519 | N | 35 | Very low | 38.6 | Very low | 147 Ų | 147 | 114.2 Ų | 114.2 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.9 | 39.1 | 178.6 | -64 | 1.7 | 0 | 0 | 0 | 116.2 | I521 | N519-I521 PolarHBondContact O-N 2.84Š|
| 520 | G | 33.7 | Very low | 40.9 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 9.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | F518 | F518-G520 VanDerWaalsContact C-N 3.34Å; F518-G520 PolarHBondContact O-N 3.36Å |
| 521 | I | 33 | Very low | 43.6 | Very low | 132 Ų | 132 | 106.1 Ų | 106.1 | 68% | 0.677 | 63% | 0.629 | S | S | * | * | trans | -97.4 | 110.9 | 177.4 | -59.9 | 177.4 | 0 | 0 | 0 | 110.4 | N519 I523 | N519-I521 PolarHBondContact O-N 2.84Å; I521-I523 HydrophobicContact CG2-CG1 4.17Å; I521-I523 PolarHBondContact O-N 3.12Å | ||
| 522 | T | 31.8 | Very low | 46.2 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 69% | 0.693 | 61% | 0.607 | S | S | * | * | trans | -77.1 | 89.2 | 174.9 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | K524 | T522-K524 PolarHBondContact O-N 2.77Š| ||
| 523 | I | 33.6 | Very low | 48.7 | Very low | 145 Ų | 145 | 96.5 Ų | 96.5 | 74% | 0.744 | 56% | 0.562 | S | S | * | * | trans | -69.8 | 95.6 | 173.9 | -55 | 177.9 | 0 | 0 | 0 | 109.2 | I521 S525 | I521-I523 HydrophobicContact CG2-CG1 4.17Å; I521-I523 PolarHBondContact O-N 3.12Å; I523-S525 PolarHBondContact O-N 2.74Å | ||
| 524 | K | 36.2 | Very low | 51.1 | Low | 181 Ų | 181 | 95.7 Ų | 95.7 | 79% | 0.787 | 55% | 0.549 | S | S | * | . | trans | -65.4 | 114.4 | 162.3 | -69.5 | -176.1 | 178.7 | -179.4 | 0 | 107.8 | T522 V526 | T522-K524 PolarHBondContact O-N 2.77Å; K524-V526 PolarHBondContact O-N 3.41Å | ||
| 525 | S | 39.1 | Very low | 53.4 | Low | 100 Ų | 100 | 91.7 Ų | 91.7 | 70% | 0.699 | 52% | 0.52 | S | S | * | . | trans | -65.5 | 103 | 173.1 | 40.7 | 0 | 0 | 0 | 0 | 109.6 | I523 T527 | I523-S525 PolarHBondContact O-N 2.74Å; S525-T527 VanDerWaalsContact C-N 3.29Å; S525-T527 PolarHBondContact O-N 3.45Å | ||
| 526 | V | 39.4 | Very low | 55.8 | Low | 133 Ų | 133 | 87.5 Ų | 87.5 | 81% | 0.806 | 49% | 0.493 | S | S | * | . | trans | -69.1 | 92.6 | 169.9 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | K524 E528 | K524-V526 PolarHBondContact O-N 3.41Å; V526-E528 PolarHBondContact O-N 3.32Å; V526-E528 VanDerWaalsContact O-N 3.14Å | ||
| 527 | T | 58.4 | Low | 58.2 | Low | 63 Ų | 63 | 82.4 Ų | 82.4 | 39% | 0.387 | 46% | 0.46 | S | S | . | . | trans | -66.6 | 111 | 174.2 | 47.6 | 0 | 0 | 0 | 0 | 108.8 | S525 | S525-T527 VanDerWaalsContact C-N 3.29Å; S525-T527 PolarHBondContact O-N 3.45Å | ||
| 528 | E | 65.6 | Low | 60.6 | Low | 117 Ų | 117 | 78.5 Ų | 78.5 | 55% | 0.547 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 144.3 | -178.4 | -68.5 | -174.7 | -171.9 | 0 | 0 | 111.9 | P506 V526 I530 H563 | P506-E528 WeakPolarHBondContact CD-O 3.47Å; V526-E528 PolarHBondContact O-N 3.32Å; V526-E528 VanDerWaalsContact O-N 3.14Å; E528-I530 PolarHBondContact O-N 3.02Å; E528-H563 IonicContact OE2-CE1 3.09Å; E528-H563 PolarHBondContact OE2-CE1 2.94Å; E528-H563 IonicContact OE2-CG 3.98Å; E528-H563 IonicContact OE2-ND1 2.69Å; E528-H563 PolarHBondContact OE2-ND1 2.66Å |
| 529 | P | 70.1 | Confident | 62.9 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 127 | 177.6 | 30.3 | -35.2 | 0 | 0 | 0 | 110.1 | L503 | L503-P529 HydrophobicContact CD1-CB 3.83Å; L503-P529 HydrophobicContact CD1-CG 4.33Å; L503-P529 HydrophobicContact CD2-CB 3.96Å; L503-P529 HydrophobicContact CG-CB 3.83Å |
| 530 | I | 83.3 | Confident | 65.3 | Low | 60 Ų | 60 | 66 Ų | 66 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.6 | -175.8 | -62 | 178 | 0 | 0 | 0 | 108.9 | C504 P506 E528 I553 | C504-I530 PolarHBondContact N-O 2.98Å; C504-I530 WeakPolarHBondContact O-CB 3.39Å; C504-I530 PolarHBondContact O-N 3.04Å; P506-I530 HydrophobicContact CB-CD1 3.89Å; P506-I530 HydrophobicContact CG-CD1 3.78Å; P506-I530 HydrophobicContact CG-CG1 4.05Å; E528-I530 PolarHBondContact O-N 3.02Å; I530-I553 HydrophobicContact CG2-CB 4.15Å; I530-I553 HydrophobicContact CG2-CD1 3.95Å; I530-I553 HydrophobicContact CG2-CG1 3.72Å; I530-I553 HydrophobicContact CG2-CG2 3.49Å; I530-I553 VanDerWaalsContact CG2-CG2 3.49Å |
| 531 | I | 88.5 | Confident | 68 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.2 | 170.8 | -53.2 | -178.1 | 0 | 0 | 0 | 108.7 | V501 L503 I553 L554 V562 T564 L565 V568 | V501-I531 HydrophobicContact CB-CG2 3.89Å; V501-I531 HydrophobicContact CG1-CG2 4.06Å; L503-I531 HydrophobicContact CD1-CG1 4.07Å; I531-I553 CarbonylContact O-C 3.5Å; I531-I553 WeakPolarHBondContact O-CA 3.32Å; I531-L554 HydrophobicContact CG2-CB 4.3Å; I531-L554 PolarHBondContact O-N 3.19Å; I531-V562 HydrophobicContact CD1-CB 4.21Å; I531-V562 HydrophobicContact CD1-CG2 4.32Å; I531-T564 WeakPolarHBondContact CD1-O 3.4Å; I531-L565 HydrophobicContact CG2-CD2 4.21Å; I531-V568 HydrophobicContact CD1-CG2 3.44Å; I531-V568 VanDerWaalsContact CD1-CG2 3.44Å; I531-V568 HydrophobicContact CG2-CG2 4.31Å |
| 532 | S | 88.4 | Confident | 70.7 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.6 | 173.6 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | V501 A502 C504 Q534 D552 | V501-S532 CarbonylContact C-O 3.59Å; V501-S532 WeakPolarHBondContact CA-O 3.02Å; A502-S532 PolarHBondContact N-O 2.88Å; A502-S532 PolarHBondContact O-N 3.12Å; C504-S532 PolarHBondContact SG-OG 2.83Å; S532-Q534 PolarHBondContact O-N 2.86Å; S532-D552 CarbonylContact C-O 3.44Å; S532-D552 WeakPolarHBondContact CA-O 3.42Å |
| 533 | I | 87.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 102.7 | 171 | -61.9 | -177.5 | 0 | 0 | 0 | 107.8 | I499 V501 R535 V536 L548 P550 G551 D552 V585 | I499-I533 HydrophobicContact CB-CG2 4.31Å; I499-I533 HydrophobicContact CD1-CD1 4.21Å; I499-I533 HydrophobicContact CD1-CG1 4.44Å; I499-I533 HydrophobicContact CG2-CG2 4.42Å; V501-I533 HydrophobicContact CG1-CG1 4.45Å; I533-R535 WeakPolarHBondContact CG2-O 3.5Å; I533-V536 HydrophobicContact CG2-CG2 4.26Å; I533-L548 HydrophobicContact CD1-CB 4.21Å; I533-L548 HydrophobicContact CD1-CD1 3.97Å; I533-L548 HydrophobicContact CD1-CD2 3.89Å; I533-L548 HydrophobicContact CD1-CG 4.25Å; I533-P550 CarbonylContact O-C 3.59Å; I533-P550 WeakPolarHBondContact O-CA 3.34Å; I533-G551 PolarHBondContact O-N 3Å; I533-D552 HydrophobicContact CB-CB 4.4Å; I533-D552 HydrophobicContact CD1-CB 4.12Å; I533-D552 HydrophobicContact CG1-CB 4.39Å; I533-D552 PolarHBondContact N-O 2.87Å; I533-V585 HydrophobicContact CD1-CG1 4.43Å |
| 534 | Q | 81.6 | Confident | 75.8 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -33.3 | 179.6 | -173.4 | 61.5 | 64.2 | 0 | 0 | 112.3 | T500 A502 S532 | T500-Q534 WeakPolarHBondContact O-CA 3.39Å; T500-Q534 WeakPolarHBondContact O-CB 3.42Å; T500-Q534 PolarHBondContact O-N 2.87Å; A502-Q534 HydrophobicContact CB-CB 3.96Å; A502-Q534 HydrophobicContact CB-CG 4.3Å; S532-Q534 PolarHBondContact O-N 2.86Å |
| 535 | R | 82 | Confident | 78.3 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 154 | -177.6 | -50 | 168.4 | -168.8 | -76.2 | -33 | 111.6 | I499 T500 I533 D646 W649 | I499-R535 WeakPolarHBondContact CA-O 3.25Å; T500-R535 PolarHBondContact N-O 3.44Å; T500-R535 PolarHBondContact O-N 2.85Å; T500-R535 WeakPolarHBondContact OG1-CB 3.1Å; T500-R535 VanDerWaalsContact OG1-CD 3.31Å; T500-R535 WeakPolarHBondContact OG1-CD 3.48Å; T500-R535 WeakPolarHBondContact OG1-CG 3.48Å; T500-R535 PolarHBondContact OG1-N 2.82Å; I533-R535 WeakPolarHBondContact CG2-O 3.5Å; R535-D646 IonicContact CZ-OD1 3.61Å; R535-D646 IonicContact CZ-OD2 2.75Å; R535-D646 IonicContact NH1-OD1 3.65Å; R535-D646 PolarHBondContact NH1-OD1 3.26Å; R535-D646 IonicContact NH1-OD2 2.7Å; R535-D646 VanDerWaalsContact NH2-CG 3.25Å; R535-D646 IonicContact NH2-OD1 2.7Å; R535-D646 PolarHBondContact NH2-OD1 3.38Å; R535-D646 IonicContact NH2-OD2 2.75Å; R535-D646 PolarHBondContact NH2-OD2 3.26Å; R535-W649 PolarHBondContact NH1-O 3.34Å |
| 536 | V | 85.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.6 | 158.5 | -179 | 0 | 0 | 0 | 0 | 107.2 | I499 I533 A542 D543 L548 Q651 | I499-V536 HydrophobicContact CG2-CG2 4.2Å; I533-V536 HydrophobicContact CG2-CG2 4.26Å; V536-A542 HydrophobicContact CG1-CB 3.83Å; V536-D543 HydrophobicContact CG1-CB 3.9Å; V536-L548 HydrophobicContact CG2-CB 4.37Å; V536-Q651 PolarHBondContact O-NE2 2.84Å |
| 537 | L | 84.5 | Confident | 82.7 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | trans | -91.9 | 133.2 | -178.5 | -61 | 177.5 | 0 | 0 | 0 | 111.1 | G498 G539 S540 D543 L664 | G498-L537 WeakPolarHBondContact O-CB 3.27Å; G498-L537 WeakPolarHBondContact O-CG 3.36Å; G498-L537 PolarHBondContact O-N 3.16Å; L537-G539 PolarHBondContact O-N 2.98Å; L537-S540 WeakPolarHBondContact O-CB 3.14Å; L537-S540 PolarHBondContact O-N 2.84Å; L537-S540 VanDerWaalsContact O-N 3.07Å; L537-S540 PolarHBondContact O-OG 2.87Å; L537-D543 WeakPolarHBondContact O-CB 3.23Å; L537-L664 HydrophobicContact CD2-CD2 4.08Å | ||
| 538 | A | 82.8 | Confident | 84 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 132.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S540 D543 V642 A662 | A538-S540 PolarHBondContact O-N 3.35Å; A538-D543 WeakPolarHBondContact CA-OD2 3.23Å; A538-V642 HydrophobicContact CB-CG1 3.49Å; A538-V642 VanDerWaalsContact CB-CG1 3.49Å; A538-A662 HydrophobicContact CB-CB 4.26Å |
| 539 | G | 80.8 | Confident | 84.8 | Confident | 44 Ų | 44 | 30 Ų | 30 | 45% | 0.454 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -3.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | L537 D543 R544 | L537-G539 PolarHBondContact O-N 2.98Å; G539-D543 PolarHBondContact N-OD2 3.3Å; G539-R544 PolarHBondContact O-NH1 2.66Å |
| 540 | S | 87 | Confident | 85.2 | Confident | 16 Ų | 16 | 28.9 Ų | 28.9 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -66.2 | 167.4 | 173.3 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | L497 G498 L537 A538 A542 D543 R544 | L497-S540 WeakPolarHBondContact O-CB 3.48Å; L497-S540 PolarHBondContact O-OG 3.26Å; G498-S540 PolarHBondContact O-OG 3.35Å; L537-S540 WeakPolarHBondContact O-CB 3.14Å; L537-S540 PolarHBondContact O-N 2.84Å; L537-S540 VanDerWaalsContact O-N 3.07Å; L537-S540 PolarHBondContact O-OG 2.87Å; A538-S540 PolarHBondContact O-N 3.35Å; S540-A542 VanDerWaalsContact C-N 3.31Å; S540-A542 PolarHBondContact O-N 3.28Å; S540-D543 PolarHBondContact O-N 3.38Å; S540-D543 PolarHBondContact OG-N 2.87Å; S540-R544 WeakPolarHBondContact O-CB 3.18Å; S540-R544 VanDerWaalsContact O-CG 3.29Å; S540-R544 WeakPolarHBondContact O-CG 3.36Å; S540-R544 PolarHBondContact O-N 3.23Å |
| 541 | L | 88.9 | Confident | 85 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | 174.3 | 173.1 | 59 | 0 | 0 | 0 | 112.6 | L488 R489 R490 L497 D543 R544 Q545 | L488-L541 HydrophobicContact CB-CD2 4.09Å; L488-L541 HydrophobicContact CB-CG 4.31Å; R489-L541 WeakPolarHBondContact O-CD1 3.41Å; R490-L541 HydrophobicContact CB-CD2 4.2Å; R490-L541 HydrophobicContact CG-CD2 3.56Å; L497-L541 HydrophobicContact CD2-CD2 3.95Å; L541-D543 VanDerWaalsContact C-N 3.31Å; L541-D543 PolarHBondContact O-N 3.02Å; L541-R544 PolarHBondContact O-N 3.18Å; L541-Q545 HydrophobicContact CD1-CG 4.08Å; L541-Q545 PolarHBondContact O-N 3.18Å |
| 542 | A | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L488 L497 I499 V536 S540 G546 L548 | L488-A542 HydrophobicContact CD1-CB 4.28Å; L497-A542 WeakPolarHBondContact O-CB 3.43Å; L497-A542 PolarHBondContact O-N 2.59Å; L497-A542 VanDerWaalsContact O-N 3.07Å; I499-A542 HydrophobicContact CG2-CB 3.57Å; V536-A542 HydrophobicContact CG1-CB 3.83Å; S540-A542 VanDerWaalsContact C-N 3.31Å; S540-A542 PolarHBondContact O-N 3.28Å; A542-G546 PolarHBondContact O-N 3.45Å; A542-L548 HydrophobicContact CB-CD1 4.01Å |
| 543 | D | 85.7 | Confident | 85 | Confident | 79 Ų | 79 | 27.9 Ų | 27.9 | 42% | 0.422 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.5 | -47.4 | 175.7 | -172.8 | 60.5 | 0 | 0 | 0 | 112.2 | V536 L537 A538 G539 S540 L541 Q545 G546 | V536-D543 HydrophobicContact CG1-CB 3.9Å; L537-D543 WeakPolarHBondContact O-CB 3.23Å; A538-D543 WeakPolarHBondContact CA-OD2 3.23Å; G539-D543 PolarHBondContact N-OD2 3.3Å; S540-D543 PolarHBondContact O-N 3.38Å; S540-D543 PolarHBondContact OG-N 2.87Å; L541-D543 VanDerWaalsContact C-N 3.31Å; L541-D543 PolarHBondContact O-N 3.02Å; D543-Q545 PolarHBondContact O-N 2.65Å; D543-Q545 VanDerWaalsContact O-N 3.1Å; D543-G546 PolarHBondContact O-N 3.26Å; D543-G546 VanDerWaalsContact O-N 3.17Å |
| 544 | R | 87.3 | Confident | 85.2 | Confident | 73 Ų | 73 | 28 Ų | 28 | 28% | 0.275 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -24.4 | 179.4 | -69 | -164.8 | -43.5 | -85.2 | 5.7 | 113.2 | R470 D491 E495 G539 S540 L541 | R470-R544 PolarHBondContact NH1-O 2.96Å; R470-R544 VanDerWaalsContact NH1-O 3.13Å; R470-R544 PolarHBondContact NH2-O 3.05Å; D491-R544 IonicContact OD2-CZ 2.66Å; D491-R544 IonicContact OD2-NE 4Å; D491-R544 IonicContact OD2-NH2 2.77Å; D491-R544 PolarHBondContact OD2-NH2 2.88Å; E495-R544 VanDerWaalsContact CD-NH2 3.3Å; E495-R544 IonicContact OE1-CZ 3.67Å; E495-R544 IonicContact OE1-NH1 2.65Å; E495-R544 PolarHBondContact OE1-NH1 2.75Å; E495-R544 IonicContact OE1-NH2 3.63Å; E495-R544 PolarHBondContact OE1-NH2 3.4Å; E495-R544 IonicContact OE2-NH2 3.88Å; E495-R544 PolarHBondContact OE2-NH2 3.08Å; E495-R544 VanDerWaalsContact OE2-NH2 3.09Å; G539-R544 PolarHBondContact O-NH1 2.66Å; S540-R544 WeakPolarHBondContact O-CB 3.18Å; S540-R544 VanDerWaalsContact O-CG 3.29Å; S540-R544 WeakPolarHBondContact O-CG 3.36Å; S540-R544 PolarHBondContact O-N 3.23Å; L541-R544 PolarHBondContact O-N 3.18Å |
| 545 | Q | 88.2 | Confident | 85.7 | Confident | 52 Ų | 52 | 27.4 Ų | 27.4 | 24% | 0.243 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -103.2 | -21.3 | 177.2 | -61.9 | -168.6 | -3.7 | 0 | 0 | 113.8 | H487 L488 R489 L541 D543 C547 | H487-Q545 PolarHBondContact O-OE1 3.1Å; L488-Q545 HydrophobicContact CD2-CB 4.26Å; R489-Q545 VanDerWaalsContact N-OE1 3.15Å; R489-Q545 PolarHBondContact O-NE2 3.1Å; L541-Q545 HydrophobicContact CD1-CG 4.08Å; L541-Q545 PolarHBondContact O-N 3.18Å; D543-Q545 PolarHBondContact O-N 2.65Å; D543-Q545 VanDerWaalsContact O-N 3.1Å; Q545-C547 VanDerWaalsContact C-N 3.28Å; Q545-C547 PolarHBondContact O-N 2.97Å; Q545-C547 PolarHBondContact O-SG 2.77Å; Q545-C547 VanDerWaalsContact O-SG 3.38Å |
| 546 | G | 83.9 | Confident | 86.2 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 19% | 0.186 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 14.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L475 A542 D543 F549 | L475-G546 WeakPolarHBondContact CD2-O 3.32Å; A542-G546 PolarHBondContact O-N 3.45Å; D543-G546 PolarHBondContact O-N 3.26Å; D543-G546 VanDerWaalsContact O-N 3.17Å; G546-F549 WeakPolarHBondContact O-CZ 3.45Å |
| 547 | C | 86.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 28 Ų | 28 | 32% | 0.324 | 17% | 0.168 | S | C | . | . | trans | -91.5 | -11.1 | -174.6 | -60.6 | 0 | 0 | 0 | 0 | 115 | R484 V486 Q545 | R484-C547 PolarHBondContact NH2-O 2.84Å; V486-C547 HydrophobicContact CB-CB 4.41Å; V486-C547 HydrophobicContact CG1-CB 3.48Å; V486-C547 VanDerWaalsContact CG1-CB 3.48Å; V486-C547 HydrophobicContact CG2-CB 4.07Å; Q545-C547 VanDerWaalsContact C-N 3.28Å; Q545-C547 PolarHBondContact O-N 2.97Å; Q545-C547 PolarHBondContact O-SG 2.77Å; Q545-C547 VanDerWaalsContact O-SG 3.38Å | ||
| 548 | L | 87.1 | Confident | 86.8 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | trans | -115.3 | 144.2 | 179.9 | -62.7 | 178.7 | 0 | 0 | 0 | 110.6 | V486 L488 I499 I533 V536 A542 L583 V585 | V486-L548 HydrophobicContact CB-CD2 4.08Å; V486-L548 HydrophobicContact CG1-CD2 3.88Å; V486-L548 HydrophobicContact CG1-CG 4.14Å; V486-L548 HydrophobicContact CG2-CD2 4.01Å; L488-L548 HydrophobicContact CD1-CD1 3.84Å; I499-L548 HydrophobicContact CD1-CD1 4.41Å; I499-L548 HydrophobicContact CG2-CD1 4.04Å; I533-L548 HydrophobicContact CD1-CB 4.21Å; I533-L548 HydrophobicContact CD1-CD1 3.97Å; I533-L548 HydrophobicContact CD1-CD2 3.89Å; I533-L548 HydrophobicContact CD1-CG 4.25Å; V536-L548 HydrophobicContact CG2-CB 4.37Å; A542-L548 HydrophobicContact CB-CD1 4.01Å; L548-L583 HydrophobicContact CD1-CD1 3.8Å; L548-L583 HydrophobicContact CD2-CD1 4.27Å; L548-V585 HydrophobicContact CD2-CG1 3.96Å; L548-V585 HydrophobicContact CD2-CG2 4.04Å | ||
| 549 | F | 82.2 | Confident | 87.1 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | trans | -131.8 | 146.8 | -177.7 | -54.1 | -70.2 | 0 | 0 | 0 | 111.8 | P478 G546 G551 D552 L593 I597 | P478-F549 HydrophobicContact CG-CD2 3.93Å; P478-F549 HydrophobicContact CG-CE2 4.04Å; G546-F549 WeakPolarHBondContact O-CZ 3.45Å; F549-G551 PolarHBondContact O-N 3.49Å; F549-D552 PolarHBondContact N-OD2 3.08Å; F549-D552 WeakPolarHBondContact O-CB 3.49Å; F549-D552 PolarHBondContact O-N 2.92Å; F549-L593 HydrophobicContact CB-CD2 4.41Å; F549-I597 HydrophobicContact CD1-CD1 4.13Å; F549-I597 HydrophobicContact CD1-CG1 4.39Å; F549-I597 HydrophobicContact CE1-CD1 3.38Å; F549-I597 HydrophobicContact CE1-CG1 3.94Å; F549-I597 HydrophobicContact CZ-CD1 3.74Å | ||
| 550 | P | 78.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 17% | 0.169 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 124.8 | 169.8 | -24 | 34.8 | 0 | 0 | 0 | 111.4 | I533 | I533-P550 CarbonylContact O-C 3.59Å; I533-P550 WeakPolarHBondContact O-CA 3.34Å |
| 551 | G | 77.6 | Confident | 87.7 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104 | -13.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I533 F549 I553 P588 | I533-G551 PolarHBondContact O-N 3Å; F549-G551 PolarHBondContact O-N 3.49Å; G551-I553 PolarHBondContact O-N 2.87Å; G551-P588 WeakPolarHBondContact O-CD 3.38Å |
| 552 | D | 87.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 127.5 | 173.8 | -84.9 | -40.5 | 0 | 0 | 0 | 111.3 | R484 S532 I533 F549 V585 | R484-D552 IonicContact CZ-OD1 3.8Å; R484-D552 IonicContact CZ-OD2 2.71Å; R484-D552 IonicContact NH1-OD1 2.64Å; R484-D552 PolarHBondContact NH1-OD1 2.89Å; R484-D552 IonicContact NH1-OD2 2.84Å; R484-D552 VanDerWaalsContact NH2-CG 3.34Å; R484-D552 IonicContact NH2-OD1 3.08Å; R484-D552 PolarHBondContact NH2-OD1 2.68Å; R484-D552 IonicContact NH2-OD2 3.98Å; R484-D552 PolarHBondContact NH2-OD2 2.8Å; S532-D552 CarbonylContact C-O 3.44Å; S532-D552 WeakPolarHBondContact CA-O 3.42Å; I533-D552 HydrophobicContact CB-CB 4.4Å; I533-D552 HydrophobicContact CD1-CB 4.12Å; I533-D552 HydrophobicContact CG1-CB 4.39Å; I533-D552 PolarHBondContact N-O 2.87Å; F549-D552 PolarHBondContact N-OD2 3.08Å; F549-D552 WeakPolarHBondContact O-CB 3.49Å; F549-D552 PolarHBondContact O-N 2.92Å; D552-V585 HydrophobicContact CB-CB 4.37Å |
| 553 | I | 89.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.5 | 171.7 | -64 | 170.8 | 0 | 0 | 0 | 108.5 | I530 I531 G551 L555 V585 Q586 | I530-I553 HydrophobicContact CG2-CB 4.15Å; I530-I553 HydrophobicContact CG2-CD1 3.95Å; I530-I553 HydrophobicContact CG2-CG1 3.72Å; I530-I553 HydrophobicContact CG2-CG2 3.49Å; I530-I553 VanDerWaalsContact CG2-CG2 3.49Å; I531-I553 CarbonylContact O-C 3.5Å; I531-I553 WeakPolarHBondContact O-CA 3.32Å; G551-I553 PolarHBondContact O-N 2.87Å; I553-L555 HydrophobicContact CG2-CD2 3.75Å; I553-L555 HydrophobicContact CG2-CG 4.28Å; I553-V585 CarbonylContact O-C 3.59Å; I553-V585 WeakPolarHBondContact O-CA 3.49Å; I553-V585 WeakPolarHBondContact O-CB 3.49Å; I553-Q586 HydrophobicContact CB-CB 4.31Å; I553-Q586 WeakPolarHBondContact CB-O 3.34Å; I553-Q586 PolarHBondContact N-O 3.43Å; I553-Q586 PolarHBondContact O-N 3.17Å |
| 554 | L | 92.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.6 | 177.2 | -179.4 | 60.6 | 0 | 0 | 0 | 109.8 | V501 I531 I557 V562 V568 L583 V585 | V501-L554 HydrophobicContact CG1-CD2 4.25Å; I531-L554 HydrophobicContact CG2-CB 4.3Å; I531-L554 PolarHBondContact O-N 3.19Å; L554-I557 HydrophobicContact CD1-CG1 4.3Å; L554-I557 HydrophobicContact CD2-CD1 4.06Å; L554-I557 HydrophobicContact CD2-CG1 4.25Å; L554-I557 HydrophobicContact CG-CG1 4.49Å; L554-V562 HydrophobicContact CD2-CG2 4.35Å; L554-V562 HydrophobicContact CG-CG2 3.99Å; L554-V568 HydrophobicContact CD2-CG1 4.2Å; L554-V568 HydrophobicContact CD2-CG2 4.06Å; L554-L583 HydrophobicContact CD1-CB 4.27Å; L554-L583 HydrophobicContact CD1-CD2 4.17Å; L554-V585 HydrophobicContact CD1-CG1 3.82Å |
| 555 | L | 91.3 | Very high | 87.4 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -44 | -175.2 | -60.5 | 175 | 0 | 0 | 0 | 112.3 | P483 I553 R561 V562 L584 Q586 | P483-L555 HydrophobicContact CB-CD1 4.15Å; P483-L555 HydrophobicContact CG-CD1 4.26Å; I553-L555 HydrophobicContact CG2-CD2 3.75Å; I553-L555 HydrophobicContact CG2-CG 4.28Å; L555-R561 WeakPolarHBondContact O-CA 3.4Å; L555-V562 PolarHBondContact O-N 3.3Å; L555-V562 VanDerWaalsContact O-N 3.12Å; L555-L584 HydrophobicContact CB-CB 4.32Å; L555-L584 HydrophobicContact CB-CD2 4.05Å; L555-L584 HydrophobicContact CB-CG 4.24Å; L555-L584 HydrophobicContact CD1-CD2 4.05Å; L555-L584 HydrophobicContact CD1-CG 4.21Å; L555-L584 PolarHBondContact N-O 2.88Å; L555-Q586 HydrophobicContact CD1-CB 3.94Å; L555-Q586 HydrophobicContact CG-CB 4.48Å |
| 556 | E | 93.3 | Very high | 87.3 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147 | -176.7 | -56.2 | 174.9 | 177.3 | 0 | 0 | 112 | L560 R561 L583 L584 | E556-L560 CarbonylContact C-O 3.56Å; E556-L560 WeakPolarHBondContact CA-O 3.36Å; E556-R561 HydrophobicContact CG-CG 3.76Å; E556-R561 IonicContact OE1-NE 2.72Å; E556-L583 WeakPolarHBondContact O-CA 3.37Å; E556-L584 HydrophobicContact CB-CB 3.71Å; E556-L584 HydrophobicContact CG-CB 4.06Å; E556-L584 HydrophobicContact CG-CD2 3.95Å; E556-L584 PolarHBondContact N-O 3.28Å; E556-L584 PolarHBondContact O-N 3.36Å |
| 557 | I | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.5 | 170.6 | -53.1 | -175.9 | 0 | 0 | 0 | 107.8 | L554 G559 L560 V562 V568 Q571 I572 L583 | L554-I557 HydrophobicContact CD1-CG1 4.3Å; L554-I557 HydrophobicContact CD2-CD1 4.06Å; L554-I557 HydrophobicContact CD2-CG1 4.25Å; L554-I557 HydrophobicContact CG-CG1 4.49Å; I557-G559 PolarHBondContact O-N 2.74Å; I557-G559 VanDerWaalsContact O-N 3.08Å; I557-L560 PolarHBondContact N-O 3.2Å; I557-L560 WeakPolarHBondContact O-CB 3.2Å; I557-L560 PolarHBondContact O-N 3.21Å; I557-V562 HydrophobicContact CB-CG1 4.49Å; I557-V562 HydrophobicContact CD1-CG1 4.02Å; I557-V562 HydrophobicContact CD1-CG2 4.49Å; I557-V562 HydrophobicContact CG1-CG1 3.99Å; I557-V562 HydrophobicContact CG1-CG2 4.19Å; I557-V568 HydrophobicContact CD1-CB 4.17Å; I557-V568 HydrophobicContact CD1-CG1 3.9Å; I557-V568 HydrophobicContact CD1-CG2 4.13Å; I557-Q571 HydrophobicContact CB-CB 4.23Å; I557-Q571 HydrophobicContact CD1-CB 4.39Å; I557-Q571 HydrophobicContact CG2-CB 4.1Å; I557-I572 HydrophobicContact CD1-CD1 4.2Å; I557-I572 HydrophobicContact CD1-CG1 3.92Å; I557-L583 HydrophobicContact CB-CD2 4.3Å; I557-L583 HydrophobicContact CG1-CD2 3.98Å; I557-L583 HydrophobicContact CG2-CD2 4.03Å |
| 558 | N | 91.2 | Very high | 87.7 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 27.4 | -176.5 | -61.3 | -50.8 | 0 | 0 | 0 | 114.9 | T575 K582 | N558-T575 WeakPolarHBondContact ND2-CB 3.38Å; N558-T575 WeakPolarHBondContact ND2-CG2 3.39Å; N558-T575 PolarHBondContact ND2-OG1 3.32Å; N558-T575 VanDerWaalsContact ND2-OG1 3.09Å; N558-K582 WeakPolarHBondContact CA-O 3.42Å; N558-K582 PolarHBondContact N-O 2.97Å; N558-K582 PolarHBondContact OD1-N 3.42Å |
| 559 | G | 87.3 | Confident | 87.7 | Confident | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 4.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I557 | I557-G559 PolarHBondContact O-N 2.74Å; I557-G559 VanDerWaalsContact O-N 3.08Å |
| 560 | L | 91 | Very high | 87.9 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.6 | 171.1 | -61.8 | 173 | 0 | 0 | 0 | 109.5 | E556 I557 Q571 | E556-L560 CarbonylContact C-O 3.56Å; E556-L560 WeakPolarHBondContact CA-O 3.36Å; I557-L560 PolarHBondContact N-O 3.2Å; I557-L560 WeakPolarHBondContact O-CB 3.2Å; I557-L560 PolarHBondContact O-N 3.21Å; L560-Q571 HydrophobicContact CD1-CG 4.3Å |
| 561 | R | 89.5 | Confident | 88.4 | Confident | 174 Ų | 174 | 55.4 Ų | 55.4 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 147.4 | 175.4 | -79.1 | -173.8 | 178 | -172.9 | 0 | 112 | L555 E556 | L555-R561 WeakPolarHBondContact O-CA 3.4Å; E556-R561 HydrophobicContact CG-CG 3.76Å; E556-R561 IonicContact OE1-NE 2.72Å |
| 562 | V | 88.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | trans | -129.4 | 123.4 | 179.1 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | I531 L554 L555 I557 Q567 V568 | I531-V562 HydrophobicContact CD1-CB 4.21Å; I531-V562 HydrophobicContact CD1-CG2 4.32Å; L554-V562 HydrophobicContact CD2-CG2 4.35Å; L554-V562 HydrophobicContact CG-CG2 3.99Å; L555-V562 PolarHBondContact O-N 3.3Å; L555-V562 VanDerWaalsContact O-N 3.12Å; I557-V562 HydrophobicContact CB-CG1 4.49Å; I557-V562 HydrophobicContact CD1-CG1 4.02Å; I557-V562 HydrophobicContact CD1-CG2 4.49Å; I557-V562 HydrophobicContact CG1-CG1 3.99Å; I557-V562 HydrophobicContact CG1-CG2 4.19Å; V562-Q567 HydrophobicContact CB-CB 4.45Å; V562-Q567 HydrophobicContact CG1-CB 4.14Å; V562-V568 HydrophobicContact CB-CG2 3.71Å; V562-V568 HydrophobicContact CG1-CG2 4.02Å; V562-V568 HydrophobicContact CG2-CG2 3.83Å | ||
| 563 | H | 85.7 | Confident | 88.8 | Confident | 65 Ų | 65 | 63 Ų | 63 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | trans | -123 | -19 | -177.8 | -56.9 | -107.4 | 0 | 0 | 0 | 111.7 | E528 | E528-H563 IonicContact OE2-CE1 3.09Å; E528-H563 PolarHBondContact OE2-CE1 2.94Å; E528-H563 IonicContact OE2-CG 3.98Å; E528-H563 IonicContact OE2-ND1 2.69Å; E528-H563 PolarHBondContact OE2-ND1 2.66Å | ||
| 564 | T | 86.6 | Confident | 88.7 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -119 | 154 | 172 | 76.2 | 0 | 0 | 0 | 0 | 112 | I531 E566 Q567 V568 | I531-T564 WeakPolarHBondContact CD1-O 3.4Å; T564-E566 PolarHBondContact O-N 2.88Å; T564-Q567 VanDerWaalsContact N-OE1 3.13Å; T564-Q567 PolarHBondContact O-N 2.92Å; T564-Q567 WeakPolarHBondContact OG1-CG 3.33Å; T564-Q567 PolarHBondContact OG1-N 2.91Å; T564-V568 PolarHBondContact O-N 2.96Å |
| 565 | L | 85.2 | Confident | 88.3 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -35.4 | 174.5 | -62.6 | 178.7 | 0 | 0 | 0 | 111.7 | V501 L503 I531 Q567 V568 F569 | V501-L565 HydrophobicContact CB-CD2 4.36Å; V501-L565 HydrophobicContact CG2-CD2 3.87Å; L503-L565 HydrophobicContact CB-CD1 4.25Å; L503-L565 HydrophobicContact CB-CD2 4.48Å; L503-L565 HydrophobicContact CB-CG 4.33Å; L503-L565 HydrophobicContact CD1-CG 4.37Å; I531-L565 HydrophobicContact CG2-CD2 4.21Å; L565-Q567 PolarHBondContact O-N 2.87Å; L565-V568 WeakPolarHBondContact O-CB 3.4Å; L565-V568 PolarHBondContact O-N 2.88Å; L565-V568 VanDerWaalsContact O-N 3.13Å; L565-F569 HydrophobicContact CB-CD2 4.46Å; L565-F569 HydrophobicContact CB-CE2 4.42Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å; L565-F569 PolarHBondContact O-N 3.04Å |
| 566 | E | 86.3 | Confident | 88 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 177.7 | -172.6 | 173.7 | -157.7 | 0 | 0 | 112.3 | T564 V568 F569 S570 | T564-E566 PolarHBondContact O-N 2.88Å; E566-V568 VanDerWaalsContact C-N 3.32Å; E566-V568 PolarHBondContact O-N 2.96Å; E566-F569 PolarHBondContact O-N 3.27Å; E566-S570 WeakPolarHBondContact O-CB 3.47Å; E566-S570 PolarHBondContact O-N 2.89Å |
| 567 | Q | 89.7 | Confident | 87.7 | Confident | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 172.1 | -70.9 | 167.4 | -13.6 | 0 | 0 | 111.7 | V562 T564 L565 Q571 | V562-Q567 HydrophobicContact CB-CB 4.45Å; V562-Q567 HydrophobicContact CG1-CB 4.14Å; T564-Q567 VanDerWaalsContact N-OE1 3.13Å; T564-Q567 PolarHBondContact O-N 2.92Å; T564-Q567 WeakPolarHBondContact OG1-CG 3.33Å; T564-Q567 PolarHBondContact OG1-N 2.91Å; L565-Q567 PolarHBondContact O-N 2.87Å; Q567-Q571 WeakPolarHBondContact O-CB 3.36Å; Q567-Q571 PolarHBondContact O-N 2.81Å |
| 568 | V | 89.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -50.5 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V501 I531 L554 I557 V562 T564 L565 E566 Q571 I572 | V501-V568 HydrophobicContact CG2-CG1 4.07Å; I531-V568 HydrophobicContact CD1-CG2 3.44Å; I531-V568 VanDerWaalsContact CD1-CG2 3.44Å; I531-V568 HydrophobicContact CG2-CG2 4.31Å; L554-V568 HydrophobicContact CD2-CG1 4.2Å; L554-V568 HydrophobicContact CD2-CG2 4.06Å; I557-V568 HydrophobicContact CD1-CB 4.17Å; I557-V568 HydrophobicContact CD1-CG1 3.9Å; I557-V568 HydrophobicContact CD1-CG2 4.13Å; V562-V568 HydrophobicContact CB-CG2 3.71Å; V562-V568 HydrophobicContact CG1-CG2 4.02Å; V562-V568 HydrophobicContact CG2-CG2 3.83Å; T564-V568 PolarHBondContact O-N 2.96Å; L565-V568 WeakPolarHBondContact O-CB 3.4Å; L565-V568 PolarHBondContact O-N 2.88Å; L565-V568 VanDerWaalsContact O-N 3.13Å; E566-V568 VanDerWaalsContact C-N 3.32Å; E566-V568 PolarHBondContact O-N 2.96Å; V568-Q571 PolarHBondContact O-N 2.67Å; V568-I572 HydrophobicContact CG1-CD1 3.66Å; V568-I572 HydrophobicContact CG1-CG1 4.45Å; V568-I572 WeakPolarHBondContact O-CB 3.49Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.07Å; V568-I572 PolarHBondContact O-N 3.21Å |
| 569 | F | 86.5 | Confident | 87.4 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 177.9 | -78.4 | -68.4 | 0 | 0 | 0 | 111.4 | L565 E566 Q571 I572 Q573 | L565-F569 HydrophobicContact CB-CD2 4.46Å; L565-F569 HydrophobicContact CB-CE2 4.42Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å; L565-F569 PolarHBondContact O-N 3.04Å; E566-F569 PolarHBondContact O-N 3.27Å; F569-Q571 PolarHBondContact O-N 3.31Å; F569-I572 PolarHBondContact O-N 3.06Å; F569-Q573 VanDerWaalsContact O-CB 3.24Å; F569-Q573 WeakPolarHBondContact O-CB 3.38Å; F569-Q573 PolarHBondContact O-N 2.78Å |
| 570 | S | 87.2 | Confident | 87.5 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | E566 Q573 Q574 | E566-S570 WeakPolarHBondContact O-CB 3.47Å; E566-S570 PolarHBondContact O-N 2.89Å; S570-Q573 PolarHBondContact O-N 3.06Å; S570-Q574 WeakPolarHBondContact O-CB 3.36Å; S570-Q574 VanDerWaalsContact O-CG 3.22Å; S570-Q574 WeakPolarHBondContact O-CG 3.33Å; S570-Q574 PolarHBondContact O-N 3.2Å; S570-Q574 PolarHBondContact OG-NE2 2.89Å; S570-Q574 VanDerWaalsContact OG-NE2 3.1Å |
| 571 | Q | 89 | Confident | 87.4 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.3 | -39 | 178.9 | -76.6 | -55.2 | -40.8 | 0 | 0 | 113.9 | I557 L560 Q567 V568 F569 Q573 T575 | I557-Q571 HydrophobicContact CB-CB 4.23Å; I557-Q571 HydrophobicContact CD1-CB 4.39Å; I557-Q571 HydrophobicContact CG2-CB 4.1Å; L560-Q571 HydrophobicContact CD1-CG 4.3Å; Q567-Q571 WeakPolarHBondContact O-CB 3.36Å; Q567-Q571 PolarHBondContact O-N 2.81Å; V568-Q571 PolarHBondContact O-N 2.67Å; F569-Q571 PolarHBondContact O-N 3.31Å; Q571-Q573 VanDerWaalsContact C-N 3.29Å; Q571-Q573 PolarHBondContact O-N 2.77Å; Q571-T575 WeakPolarHBondContact O-CB 3.41Å; Q571-T575 WeakPolarHBondContact O-CG2 3.37Å; Q571-T575 PolarHBondContact O-N 2.79Å; Q571-T575 PolarHBondContact O-OG1 2.99Å |
| 572 | I | 87.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 17% | 0.174 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 174.9 | -68.4 | 173.4 | 0 | 0 | 0 | 110.8 | L497 I557 V568 F569 S576 | L497-I572 HydrophobicContact CD1-CD1 4.2Å; L497-I572 HydrophobicContact CD1-CG1 4.35Å; L497-I572 HydrophobicContact CD1-CG2 4.48Å; I557-I572 HydrophobicContact CD1-CD1 4.2Å; I557-I572 HydrophobicContact CD1-CG1 3.92Å; V568-I572 HydrophobicContact CG1-CD1 3.66Å; V568-I572 HydrophobicContact CG1-CG1 4.45Å; V568-I572 WeakPolarHBondContact O-CB 3.49Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.07Å; V568-I572 PolarHBondContact O-N 3.21Å; F569-I572 PolarHBondContact O-N 3.06Å; I572-S576 WeakPolarHBondContact O-CA 3.32Å; I572-S576 WeakPolarHBondContact O-CB 3.11Å; I572-S576 PolarHBondContact O-N 3.34Å; I572-S576 VanDerWaalsContact O-N 3.08Å |
| 573 | Q | 86 | Confident | 87.8 | Confident | 152 Ų | 152 | 68 Ų | 68 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.2 | -48.6 | 178.3 | -170.2 | 173.3 | 9.2 | 0 | 0 | 112.1 | F569 S570 Q571 T575 S576 | F569-Q573 VanDerWaalsContact O-CB 3.24Å; F569-Q573 WeakPolarHBondContact O-CB 3.38Å; F569-Q573 PolarHBondContact O-N 2.78Å; S570-Q573 PolarHBondContact O-N 3.06Å; Q571-Q573 VanDerWaalsContact C-N 3.29Å; Q571-Q573 PolarHBondContact O-N 2.77Å; Q573-T575 VanDerWaalsContact C-N 3.27Å; Q573-T575 PolarHBondContact O-N 2.77Å; Q573-S576 WeakPolarHBondContact O-CB 3.22Å; Q573-S576 PolarHBondContact O-N 3.2Å; Q573-S576 VanDerWaalsContact O-N 3.15Å |
| 574 | Q | 87.1 | Confident | 88.1 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.9 | -40 | 175.8 | -73.7 | 174.6 | 19.5 | 0 | 0 | 111.9 | S570 | S570-Q574 WeakPolarHBondContact O-CB 3.36Å; S570-Q574 VanDerWaalsContact O-CG 3.22Å; S570-Q574 WeakPolarHBondContact O-CG 3.33Å; S570-Q574 PolarHBondContact O-N 3.2Å; S570-Q574 PolarHBondContact OG-NE2 2.89Å; S570-Q574 VanDerWaalsContact OG-NE2 3.1Å |
| 575 | T | 84.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.7 | -179.5 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | R490 N558 Q571 Q573 S577 L578 | R490-T575 PolarHBondContact NH1-O 2.89Å; N558-T575 WeakPolarHBondContact ND2-CB 3.38Å; N558-T575 WeakPolarHBondContact ND2-CG2 3.39Å; N558-T575 PolarHBondContact ND2-OG1 3.32Å; N558-T575 VanDerWaalsContact ND2-OG1 3.09Å; Q571-T575 WeakPolarHBondContact O-CB 3.41Å; Q571-T575 WeakPolarHBondContact O-CG2 3.37Å; Q571-T575 PolarHBondContact O-N 2.79Å; Q571-T575 PolarHBondContact O-OG1 2.99Å; Q573-T575 VanDerWaalsContact C-N 3.27Å; Q573-T575 PolarHBondContact O-N 2.77Å; T575-S577 VanDerWaalsContact C-N 3.28Å; T575-S577 PolarHBondContact O-N 2.95Å; T575-L578 HydrophobicContact CG2-CD1 4.07Å; T575-L578 PolarHBondContact O-N 3.4Å |
| 576 | S | 84.9 | Confident | 88.5 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.2 | 178.5 | -167.5 | 0 | 0 | 0 | 0 | 112.7 | G494 I572 Q573 L578 | G494-S576 WeakPolarHBondContact CA-O 3.39Å; G494-S576 PolarHBondContact N-O 3.25Å; I572-S576 WeakPolarHBondContact O-CA 3.32Å; I572-S576 WeakPolarHBondContact O-CB 3.11Å; I572-S576 PolarHBondContact O-N 3.34Å; I572-S576 VanDerWaalsContact O-N 3.08Å; Q573-S576 WeakPolarHBondContact O-CB 3.22Å; Q573-S576 PolarHBondContact O-N 3.2Å; Q573-S576 VanDerWaalsContact O-N 3.15Å; S576-L578 VanDerWaalsContact C-N 3.32Å; S576-L578 PolarHBondContact O-N 3.07Å |
| 577 | S | 85.8 | Confident | 88.2 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.9 | 176.7 | 55 | 0 | 0 | 0 | 0 | 114.4 | T575 | T575-S577 VanDerWaalsContact C-N 3.28Å; T575-S577 PolarHBondContact O-N 2.95Å |
| 578 | L | 87.5 | Confident | 87.3 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 45% | 0.45 | 27% | 0.272 | S | S | . | . | trans | -79.2 | 141.8 | -179.4 | -56 | -175.5 | 0 | 0 | 0 | 111 | R490 T575 S576 | R490-L578 WeakPolarHBondContact CD-O 3.42Å; R490-L578 PolarHBondContact NH1-O 3.1Å; T575-L578 HydrophobicContact CG2-CD1 4.07Å; T575-L578 PolarHBondContact O-N 3.4Å; S576-L578 VanDerWaalsContact C-N 3.32Å; S576-L578 PolarHBondContact O-N 3.07Å | ||
| 579 | I | 90.1 | Very high | 86.2 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.7 | -46.5 | 176.4 | -72.6 | 171.7 | 0 | 0 | 0 | 110.8 | R489 R490 P493 | R489-I579 HydrophobicContact CG-CG2 3.91Å; R490-I579 WeakPolarHBondContact CB-O 3.2Å; R490-I579 PolarHBondContact N-O 3.38Å; P493-I579 HydrophobicContact CG-CG1 4.46Å |
| 580 | D | 88.3 | Confident | 84.5 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 140.2 | 178.1 | -62.9 | -48.7 | 0 | 0 | 0 | 111.1 | R489 | R489-D580 WeakPolarHBondContact CB-OD1 3.27Å; R489-D580 VanDerWaalsContact CD-OD1 3.29Å; R489-D580 WeakPolarHBondContact CD-OD1 3.41Å; R489-D580 WeakPolarHBondContact CG-OD1 3.43Å |
| 581 | C | 90.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | L488 L497 | L488-C581 HydrophobicContact CB-CB 4.48Å; L488-C581 PolarHBondContact N-O 3.17Å; L488-C581 PolarHBondContact O-N 3.27Å; L497-C581 HydrophobicContact CD2-CB 4.27Å |
| 582 | K | 92.4 | Very high | 80.1 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.5 | -177.5 | 178 | 179.3 | -173.4 | -166.6 | 0 | 109.7 | V485 N558 | V485-K582 HydrophobicContact CG1-CD 4.27Å; V485-K582 HydrophobicContact CG1-CG 3.84Å; N558-K582 WeakPolarHBondContact CA-O 3.42Å; N558-K582 PolarHBondContact N-O 2.97Å; N558-K582 PolarHBondContact OD1-N 3.42Å |
| 583 | L | 93.2 | Very high | 78.2 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.4 | 178.3 | -55.6 | 173.1 | 0 | 0 | 0 | 109.4 | V485 V486 L488 L548 L554 E556 I557 V585 | V485-L583 WeakPolarHBondContact CA-O 3.32Å; V486-L583 PolarHBondContact N-O 3.07Å; V486-L583 PolarHBondContact O-N 3.26Å; L488-L583 HydrophobicContact CD1-CD1 4.07Å; L548-L583 HydrophobicContact CD1-CD1 3.8Å; L548-L583 HydrophobicContact CD2-CD1 4.27Å; L554-L583 HydrophobicContact CD1-CB 4.27Å; L554-L583 HydrophobicContact CD1-CD2 4.17Å; E556-L583 WeakPolarHBondContact O-CA 3.37Å; I557-L583 HydrophobicContact CB-CD2 4.3Å; I557-L583 HydrophobicContact CG1-CD2 3.98Å; I557-L583 HydrophobicContact CG2-CD2 4.03Å; L583-V585 HydrophobicContact CB-CG1 4.18Å |
| 584 | L | 93.3 | Very high | 76.3 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.9 | 163.1 | -171.1 | 71.3 | 0 | 0 | 0 | 107.6 | P483 V485 L555 E556 | P483-L584 HydrophobicContact CB-CD1 4.27Å; P483-L584 HydrophobicContact CB-CG 4.5Å; V485-L584 HydrophobicContact CG2-CD1 3.81Å; L555-L584 HydrophobicContact CB-CB 4.32Å; L555-L584 HydrophobicContact CB-CD2 4.05Å; L555-L584 HydrophobicContact CB-CG 4.24Å; L555-L584 HydrophobicContact CD1-CD2 4.05Å; L555-L584 HydrophobicContact CD1-CG 4.21Å; L555-L584 PolarHBondContact N-O 2.88Å; E556-L584 HydrophobicContact CB-CB 3.71Å; E556-L584 HydrophobicContact CG-CB 4.06Å; E556-L584 HydrophobicContact CG-CD2 3.95Å; E556-L584 PolarHBondContact N-O 3.28Å; E556-L584 PolarHBondContact O-N 3.36Å |
| 585 | V | 91.9 | Very high | 73.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.2 | -178.8 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | P483 R484 V486 I533 L548 D552 I553 L554 L583 | P483-V585 CarbonylContact C-O 3.45Å; P483-V585 WeakPolarHBondContact CA-O 3.41Å; R484-V585 HydrophobicContact CG-CG2 3.87Å; R484-V585 PolarHBondContact N-O 2.85Å; R484-V585 PolarHBondContact O-N 3.17Å; R484-V585 VanDerWaalsContact O-O 3.08Å; V486-V585 HydrophobicContact CB-CG2 4.42Å; V486-V585 HydrophobicContact CG2-CG2 3.68Å; I533-V585 HydrophobicContact CD1-CG1 4.43Å; L548-V585 HydrophobicContact CD2-CG1 3.96Å; L548-V585 HydrophobicContact CD2-CG2 4.04Å; D552-V585 HydrophobicContact CB-CB 4.37Å; I553-V585 CarbonylContact O-C 3.59Å; I553-V585 WeakPolarHBondContact O-CA 3.49Å; I553-V585 WeakPolarHBondContact O-CB 3.49Å; L554-V585 HydrophobicContact CD1-CG1 3.82Å; L583-V585 HydrophobicContact CB-CG1 4.18Å |
| 586 | Q | 88.1 | Confident | 71.7 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.8 | -178.8 | -178.5 | 177.3 | 20 | 0 | 0 | 109.1 | G481 P483 I553 L555 | G481-Q586 PolarHBondContact O-NE2 3.14Å; P483-Q586 HydrophobicContact CB-CB 4.49Å; P483-Q586 HydrophobicContact CG-CB 4.41Å; P483-Q586 HydrophobicContact CG-CG 4.19Å; I553-Q586 HydrophobicContact CB-CB 4.31Å; I553-Q586 WeakPolarHBondContact CB-O 3.34Å; I553-Q586 PolarHBondContact N-O 3.43Å; I553-Q586 PolarHBondContact O-N 3.17Å; L555-Q586 HydrophobicContact CD1-CB 3.94Å; L555-Q586 HydrophobicContact CG-CB 4.48Å |
| 587 | A | 79.4 | Confident | 69.7 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -63.9 | 139.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P478 G481 L593 | P478-A587 HydrophobicContact CB-CB 4.24Å; P478-A587 HydrophobicContact CG-CB 4.11Å; G481-A587 WeakPolarHBondContact CA-O 3.43Å; G481-A587 PolarHBondContact N-O 2.8Å; A587-L593 HydrophobicContact CB-CD1 3.96Å; A587-L593 HydrophobicContact CB-CD2 4Å; A587-L593 HydrophobicContact CB-CG 4.28Å | ||
| 588 | P | 70.7 | Confident | 67.3 | Low | 24 Ų | 24 | 64 Ų | 64 | 16% | 0.156 | 33% | 0.332 | C | S | . | . | trans | -62.4 | 150.1 | -179.7 | 27 | -33.6 | 0 | 0 | 0 | 110.6 | P480 G551 | P480-P588 WeakPolarHBondContact CB-O 3.18Å; G551-P588 WeakPolarHBondContact O-CD 3.38Å | ||
| 589 | K | 66 | Low | 64.8 | Low | 166 Ų | 166 | 63.5 Ų | 63.5 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73.9 | -34.9 | 178.5 | -76.7 | -179 | 177.1 | -178.2 | 0 | 112.5 | G481 | G481-K589 VanDerWaalsContact CA-CG 3.43Š|
| 590 | E | 50.7 | Low | 62.2 | Low | 166 Ų | 166 | 63.7 Ų | 63.7 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -132.3 | 150.7 | -176.9 | -66.9 | 172.7 | 168 | 0 | 0 | 108.3 | ||
| 591 | G | 43.4 | Very low | 59.6 | Low | 59 Ų | 59 | 65.9 Ų | 65.9 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 87.5 | 153.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | L593 | G591-L593 PolarHBondContact O-N 3.22Š|
| 592 | I | 41.9 | Very low | 57.1 | Low | 84 Ų | 84 | 69.5 Ų | 69.5 | 43% | 0.431 | 38% | 0.38 | S | S | . | . | trans | -81.2 | 119.3 | -175.8 | -62.3 | 177.1 | 0 | 0 | 0 | 109.7 | M1 R594 | M1-I592 HydrophobicContact CB-CD1 3.99Å; M1-I592 HydrophobicContact CG-CD1 4.15Å; M1-I592 HydrophobicContact SD-CD1 3.52Å; M1-I592 VanDerWaalsContact SD-CD1 3.52Å; M1-I592 HydrophobicContact SD-CG1 3.99Å; I592-R594 PolarHBondContact O-N 3.5Å | ||
| 593 | L | 46.4 | Very low | 54.4 | Low | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | trans | -51.6 | 103.3 | 152.7 | -80.3 | 169.2 | 0 | 0 | 0 | 107.2 | P478 F549 A587 G591 S595 | P478-L593 HydrophobicContact CG-CD1 3.84Å; F549-L593 HydrophobicContact CB-CD2 4.41Å; A587-L593 HydrophobicContact CB-CD1 3.96Å; A587-L593 HydrophobicContact CB-CD2 4Å; A587-L593 HydrophobicContact CB-CG 4.28Å; G591-L593 PolarHBondContact O-N 3.22Å; L593-S595 WeakPolarHBondContact O-CA 3.43Å; L593-S595 PolarHBondContact O-N 3.26Å | ||
| 594 | R | 46.5 | Very low | 51.9 | Low | 101 Ų | 101 | 75.3 Ų | 75.3 | 38% | 0.381 | 42% | 0.421 | S | S | . | . | trans | -51.3 | 112.8 | -169.9 | -75.4 | -171.5 | 178.7 | 175.9 | 3 | 108.8 | I592 S596 D646 | I592-R594 PolarHBondContact O-N 3.5Å; R594-S596 PolarHBondContact O-N 3.13Å; R594-S596 PolarHBondContact O-OG 2.75Å; R594-D646 IonicContact CZ-OD2 2.73Å; R594-D646 IonicContact NH1-OD2 2.78Å; R594-D646 PolarHBondContact NH1-OD2 3.5Å; R594-D646 IonicContact NH2-OD2 3.8Å | ||
| 595 | S | 34.3 | Very low | 50 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 46% | 0.456 | S | S | . | . | trans | -80.3 | 47.9 | -157.7 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | L593 I597 Q598 | L593-S595 WeakPolarHBondContact O-CA 3.43Å; L593-S595 PolarHBondContact O-N 3.26Å; S595-I597 PolarHBondContact O-N 2.79Å; S595-Q598 PolarHBondContact O-N 2.85Å | ||
| 596 | S | 41.2 | Very low | 48.7 | Very low | 50 Ų | 50 | 88.7 Ų | 88.7 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -177.5 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | R594 Q598 C599 S600 | R594-S596 PolarHBondContact O-N 3.13Å; R594-S596 PolarHBondContact O-OG 2.75Å; S596-Q598 VanDerWaalsContact C-N 3.26Å; S596-Q598 PolarHBondContact O-N 2.57Å; S596-C599 CarbonylContact O-C 3.6Å; S596-C599 WeakPolarHBondContact O-CA 3.45Å; S596-C599 PolarHBondContact O-N 2.65Å; S596-S600 PolarHBondContact O-N 3.42Å |
| 597 | I | 42.7 | Very low | 48.5 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 13% | 0.133 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.3 | -27.2 | -178 | -33.1 | -176.4 | 0 | 0 | 0 | 112.5 | L475 F477 F549 S595 C599 S600 | L475-I597 HydrophobicContact CD1-CG2 4.28Å; F477-I597 HydrophobicContact CD1-CD1 3.79Å; F477-I597 HydrophobicContact CD2-CD1 4.43Å; F477-I597 HydrophobicContact CE1-CB 4.21Å; F477-I597 HydrophobicContact CE1-CD1 3.46Å; F477-I597 VanDerWaalsContact CE1-CD1 3.46Å; F477-I597 HydrophobicContact CE1-CG1 3.73Å; F477-I597 HydrophobicContact CE2-CB 4.32Å; F477-I597 HydrophobicContact CE2-CD1 4.14Å; F477-I597 HydrophobicContact CG-CD1 4.29Å; F477-I597 HydrophobicContact CZ-CB 3.69Å; F477-I597 HydrophobicContact CZ-CD1 3.66Å; F477-I597 HydrophobicContact CZ-CG1 3.76Å; F549-I597 HydrophobicContact CD1-CD1 4.13Å; F549-I597 HydrophobicContact CD1-CG1 4.39Å; F549-I597 HydrophobicContact CE1-CD1 3.38Å; F549-I597 HydrophobicContact CE1-CG1 3.94Å; F549-I597 HydrophobicContact CZ-CD1 3.74Å; S595-I597 PolarHBondContact O-N 2.79Å; I597-C599 VanDerWaalsContact C-N 3.28Å; I597-C599 PolarHBondContact O-N 3.37Å; I597-S600 WeakPolarHBondContact CA-OG 3.25Å; I597-S600 PolarHBondContact O-OG 2.95Å |
| 598 | Q | 35.6 | Very low | 48.9 | Very low | 152 Ų | 152 | 96.1 Ų | 96.1 | 71% | 0.71 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.8 | -17.5 | 173.2 | -77.2 | -172.1 | -23.4 | 0 | 0 | 113.2 | S595 S596 | S595-Q598 PolarHBondContact O-N 2.85Å; S596-Q598 VanDerWaalsContact C-N 3.26Å; S596-Q598 PolarHBondContact O-N 2.57Å |
| 599 | C | 34.9 | Very low | 49.9 | Very low | 76 Ų | 76 | 97.1 Ų | 97.1 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -99.3 | -25.1 | 172.7 | -63.5 | 0 | 0 | 0 | 0 | 113 | S596 I597 N601 S602 | S596-C599 CarbonylContact O-C 3.6Å; S596-C599 WeakPolarHBondContact O-CA 3.45Å; S596-C599 PolarHBondContact O-N 2.65Å; I597-C599 VanDerWaalsContact C-N 3.28Å; I597-C599 PolarHBondContact O-N 3.37Å; C599-N601 PolarHBondContact O-N 3.39Å; C599-S602 VanDerWaalsContact O-CB 3.29Å; C599-S602 WeakPolarHBondContact O-CB 3.41Å; C599-S602 PolarHBondContact O-N 3.05Å; C599-S602 PolarHBondContact O-OG 2.86Å |
| 600 | S | 35.7 | Very low | 51.1 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 58% | 0.58 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.4 | -11.6 | 176.2 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | S596 I597 S602 | S596-S600 PolarHBondContact O-N 3.42Å; I597-S600 WeakPolarHBondContact CA-OG 3.25Å; I597-S600 PolarHBondContact O-OG 2.95Å; S600-S602 PolarHBondContact O-N 3.05Å |
| 601 | N | 33.9 | Very low | 53 | Low | 132 Ų | 132 | 83.9 Ų | 83.9 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 6.2 | 168.1 | -116.3 | 3 | 0 | 0 | 0 | 112.9 | C599 N603 | C599-N601 PolarHBondContact O-N 3.39Å; N601-N603 PolarHBondContact O-N 3.33Å |
| 602 | S | 37.2 | Very low | 55.3 | Low | 77 Ų | 77 | 81 Ų | 81 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | trans | -68.2 | 78.9 | 166.5 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | C599 S600 S604 | C599-S602 VanDerWaalsContact O-CB 3.29Å; C599-S602 WeakPolarHBondContact O-CB 3.41Å; C599-S602 PolarHBondContact O-N 3.05Å; C599-S602 PolarHBondContact O-OG 2.86Å; S600-S602 PolarHBondContact O-N 3.05Å; S602-S604 PolarHBondContact O-N 2.65Å | ||
| 603 | N | 34.9 | Very low | 57.5 | Low | 151 Ų | 151 | 77.8 Ų | 77.8 | 81% | 0.807 | 41% | 0.411 | S | S | * | . | trans | -65 | 18 | 166.1 | -93.1 | -55.2 | 0 | 0 | 0 | 113.7 | N601 K605 | N601-N603 PolarHBondContact O-N 3.33Å; N603-K605 PolarHBondContact O-N 3.05Å | ||
| 604 | S | 41.7 | Very low | 59.4 | Low | 71 Ų | 71 | 77.8 Ų | 77.8 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | trans | -76.5 | 109.8 | 170.7 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | S602 T606 | S602-S604 PolarHBondContact O-N 2.65Å; S604-T606 WeakPolarHBondContact CB-OG1 3.29Å; S604-T606 PolarHBondContact O-N 3.44Å | ||
| 605 | K | 54 | Low | 61.4 | Low | 210 Ų | 210 | 76.3 Ų | 76.3 | 91% | 0.913 | 41% | 0.409 | S | S | * | . | trans | -68.1 | 18.8 | 178.5 | -58.5 | 176.1 | -179.3 | 176.6 | 0 | 114.2 | N603 K607 | N603-K605 PolarHBondContact O-N 3.05Å; K605-K607 PolarHBondContact O-N 3.07Å | ||
| 606 | T | 63.7 | Low | 64.1 | Low | 107 Ų | 107 | 74.3 Ų | 74.3 | 66% | 0.656 | 39% | 0.392 | S | S | * | . | trans | -85.6 | 91.6 | -173.7 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | S604 R608 | S604-T606 WeakPolarHBondContact CB-OG1 3.29Å; S604-T606 PolarHBondContact O-N 3.44Å; T606-R608 PolarHBondContact O-N 3.14Å | ||
| 607 | K | 83.1 | Confident | 66.6 | Low | 106 Ų | 106 | 74.2 Ų | 74.2 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | trans | -57.9 | 131.4 | 166.2 | -67.6 | 176.8 | 172.3 | -99 | 0 | 109.3 | K605 Y609 E640 | K605-K607 PolarHBondContact O-N 3.07Å; K607-Y609 HydrophobicContact CB-CE1 4.43Å; K607-Y609 HydrophobicContact CB-CE2 3.84Å; K607-Y609 VanDerWaalsContact CD-OH 3.25Å; K607-Y609 WeakPolarHBondContact CD-OH 3.47Å; K607-E640 WeakPolarHBondContact CD-OE1 3.39Å; K607-E640 WeakPolarHBondContact CE-OE1 3.46Å; K607-E640 WeakPolarHBondContact CG-OE1 3.35Å; K607-E640 VanDerWaalsContact NZ-CD 3.25Å; K607-E640 IonicContact NZ-OE1 2.66Å; K607-E640 PolarHBondContact NZ-OE1 2.98Å; K607-E640 IonicContact NZ-OE2 3.65Å; K607-E640 PolarHBondContact NZ-OE2 3.09Å | ||
| 608 | R | 88.2 | Confident | 69 | Low | 89 Ų | 89 | 73.1 Ų | 73.1 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 149.7 | 169.9 | -67.6 | -174 | -67.2 | 149.7 | -3.3 | 109.6 | T606 L641 D644 E717 | T606-R608 PolarHBondContact O-N 3.14Å; R608-L641 HydrophobicContact CB-CB 4.26Å; R608-L641 PolarHBondContact O-N 3.01Å; R608-D644 IonicContact CZ-OD2 3.65Å; R608-D644 IonicContact NH1-OD2 2.74Å; R608-D644 PolarHBondContact NH1-OD2 2.94Å; R608-D644 VanDerWaalsContact NH2-CG 3.25Å; R608-D644 IonicContact NH2-OD1 3.94Å; R608-D644 PolarHBondContact NH2-OD1 3.35Å; R608-D644 IonicContact NH2-OD2 2.68Å; R608-D644 PolarHBondContact NH2-OD2 2.76Å; R608-E717 WeakPolarHBondContact CD-OE1 3.08Å; R608-E717 WeakPolarHBondContact CG-OE1 3.1Å |
| 609 | Y | 91.4 | Very high | 71.7 | Confident | 45 Ų | 45 | 71 Ų | 71 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.6 | -179.2 | -55.3 | -86 | 0 | 0 | 0 | 110.3 | K607 L639 E640 L655 E717 V718 W917 | K607-Y609 HydrophobicContact CB-CE1 4.43Å; K607-Y609 HydrophobicContact CB-CE2 3.84Å; K607-Y609 VanDerWaalsContact CD-OH 3.25Å; K607-Y609 WeakPolarHBondContact CD-OH 3.47Å; Y609-L639 CarbonylContact C-O 3.52Å; Y609-L639 VanDerWaalsContact CA-O 3.25Å; Y609-L639 WeakPolarHBondContact CA-O 3.32Å; Y609-E640 HydrophobicContact CD1-CB 4.17Å; Y609-E640 HydrophobicContact CE1-CB 4.17Å; Y609-E640 HydrophobicContact CE1-CG 4.43Å; Y609-L655 HydrophobicContact CD1-CD1 4.19Å; Y609-L655 HydrophobicContact CD1-CD2 3.83Å; Y609-L655 HydrophobicContact CE1-CD1 4.46Å; Y609-L655 HydrophobicContact CE1-CD2 3.62Å; Y609-E717 WeakPolarHBondContact O-CA 3.46Å; Y609-V718 PolarHBondContact O-N 3.44Å; Y609-W917 AromaticContact CD1-CH2 3.74Å; Y609-W917 HydrophobicContact CD1-CH2 3.74Å; Y609-W917 HydrophobicContact CD1-CZ3 4.06Å; Y609-W917 AromaticContact CD2-CH2 3.99Å; Y609-W917 HydrophobicContact CD2-CH2 3.99Å; Y609-W917 AromaticContact CD2-CZ3 3.69Å; Y609-W917 HydrophobicContact CD2-CZ3 3.69Å; Y609-W917 HydrophobicContact CE1-CH2 4.04Å; Y609-W917 HydrophobicContact CE2-CH2 4.29Å; Y609-W917 HydrophobicContact CE2-CZ3 4.33Å; Y609-W917 AromaticContact CG-CH2 3.69Å; Y609-W917 HydrophobicContact CG-CH2 3.69Å; Y609-W917 AromaticContact CG-CZ3 3.52Å; Y609-W917 HydrophobicContact CG-CZ3 3.52Å |
| 610 | V | 92.2 | Very high | 74.4 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.1 | 176.2 | -69.6 | 0 | 0 | 0 | 0 | 110.7 | V638 L639 L641 E716 | V610-V638 WeakPolarHBondContact O-CA 3.09Å; V610-L639 HydrophobicContact CG2-CB 4.32Å; V610-L639 PolarHBondContact N-O 3.32Å; V610-L639 PolarHBondContact O-N 3.45Å; V610-L641 HydrophobicContact CG1-CB 4.26Å; V610-L641 HydrophobicContact CG1-CD2 3.92Å; V610-L641 HydrophobicContact CG2-CB 4.36Å; V610-E716 CarbonylContact C-O 3.54Å; V610-E716 VanDerWaalsContact CA-O 3.29Å; V610-E716 WeakPolarHBondContact CA-O 3.29Å |
| 611 | R | 90.8 | Very high | 77 | Confident | 49 Ų | 49 | 72 Ų | 72 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.9 | 164.9 | 171.2 | -177.8 | -70.5 | 148.6 | -5.6 | 108.1 | L613 V638 Y715 E716 V718 W917 | R611-L613 HydrophobicContact CG-CD2 3.81Å; R611-L613 HydrophobicContact CG-CG 4.33Å; R611-V638 HydrophobicContact CB-CG2 4.28Å; R611-Y715 WeakPolarHBondContact O-CA 3.36Å; R611-E716 HydrophobicContact CB-CB 4.42Å; R611-E716 IonicContact CZ-OE2 2.78Å; R611-E716 PolarHBondContact N-O 3.26Å; R611-E716 IonicContact NE-OE2 2.88Å; R611-E716 IonicContact NH1-OE2 3.07Å; R611-E716 PolarHBondContact NH1-OE2 3.15Å; R611-E716 PolarHBondContact O-N 3.03Å; R611-E716 VanDerWaalsContact O-N 3.09Å; R611-V718 HydrophobicContact CB-CG1 3.78Å; R611-V718 HydrophobicContact CB-CG2 4.22Å; R611-W917 PolarHBondContact NH2-O 3.42Å |
| 612 | C | 91.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134 | 169.3 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | F633 S635 G636 D637 Y715 | C612-F633 HydrophobicContact CB-CD2 3.35Å; C612-F633 HydrophobicContact CB-CE2 3.43Å; C612-F633 VanDerWaalsContact CB-CE2 3.43Å; C612-F633 HydrophobicContact CB-CG 4.1Å; C612-F633 HydrophobicContact CB-CZ 4.21Å; C612-F633 WeakPolarHBondContact SG-CD2 3.32Å; C612-F633 VanDerWaalsContact SG-CE2 3.55Å; C612-S635 CarbonylContact O-C 3.48Å; C612-S635 WeakPolarHBondContact O-CA 3.1Å; C612-G636 PolarHBondContact O-N 3.16Å; C612-D637 PolarHBondContact N-O 2.73Å; C612-Y715 HydrophobicContact CB-CE1 4.47Å |
| 613 | L | 86.3 | Confident | 81.9 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -112 | -6.3 | -177.5 | -65.9 | 174.4 | 0 | 0 | 0 | 113.3 | R611 S635 W713 S714 E716 H886 | R611-L613 HydrophobicContact CG-CD2 3.81Å; R611-L613 HydrophobicContact CG-CG 4.33Å; L613-S635 VanDerWaalsContact C-CB 3.41Å; L613-S635 VanDerWaalsContact O-CB 3.23Å; L613-S635 WeakPolarHBondContact O-CB 3.48Å; L613-S635 PolarHBondContact O-OG 3.21Å; L613-W713 HydrophobicContact CB-CB 4.42Å; L613-W713 VanDerWaalsContact CB-O 3.22Å; L613-W713 WeakPolarHBondContact CB-O 3.4Å; L613-W713 HydrophobicContact CD1-CB 3.83Å; L613-W713 HydrophobicContact CD1-CE3 4.37Å; L613-W713 HydrophobicContact CD1-CG 4.37Å; L613-S714 PolarHBondContact N-O 3.27Å; L613-E716 HydrophobicContact CD1-CB 3.98Å; L613-H886 HydrophobicContact CB-CB 4.32Å; L613-H886 VanDerWaalsContact O-CA 3.26Å; L613-H886 WeakPolarHBondContact O-CA 3.46Å; L613-H886 WeakPolarHBondContact O-CB 3.22Å | ||
| 614 | F | 86.1 | Confident | 84.2 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -120.1 | 168.6 | 169 | 67.7 | -71.1 | 0 | 0 | 0 | 111.4 | Y616 F633 S635 E671 S714 Y715 | F614-Y616 HydrophobicContact CE2-CD2 4.4Å; F614-Y616 HydrophobicContact CE2-CG 4.49Å; F614-F633 HydrophobicContact CD1-CE2 4.32Å; F614-F633 HydrophobicContact CD2-CE2 4.46Å; F614-F633 HydrophobicContact CE1-CE2 4.1Å; F614-F633 AromaticContact CE1-CZ 3.91Å; F614-F633 HydrophobicContact CE1-CZ 3.91Å; F614-F633 HydrophobicContact CE2-CE2 4.28Å; F614-F633 HydrophobicContact CE2-CZ 4.07Å; F614-F633 HydrophobicContact CG-CE2 4.49Å; F614-F633 HydrophobicContact CZ-CE2 4.09Å; F614-F633 AromaticContact CZ-CZ 3.63Å; F614-F633 HydrophobicContact CZ-CZ 3.63Å; F614-F633 VanDerWaalsContact O-CE2 3.3Å; F614-F633 WeakPolarHBondContact O-CE2 3.3Å; F614-S635 WeakPolarHBondContact O-CA 3.22Å; F614-S635 WeakPolarHBondContact O-CB 3.37Å; F614-S635 PolarHBondContact O-N 3.34Å; F614-S635 VanDerWaalsContact O-N 3.16Å; F614-E671 HydrophobicContact CE1-CG 4.02Å; F614-E671 HydrophobicContact CE2-CG 4.06Å; F614-E671 HydrophobicContact CZ-CB 4.43Å; F614-E671 HydrophobicContact CZ-CG 3.75Å; F614-S714 WeakPolarHBondContact CD1-O 3.44Å; F614-Y715 HydrophobicContact CE1-CD1 4.49Å; F614-Y715 AromaticContact CE1-CE1 3.84Å; F614-Y715 HydrophobicContact CE1-CE1 3.84Å; F614-Y715 HydrophobicContact CE1-CE2 4.09Å; F614-Y715 AromaticContact CE1-CZ 3.62Å; F614-Y715 HydrophobicContact CZ-CE1 4.41Å; F614-Y715 HydrophobicContact CZ-CE2 4.49Å; F614-Y715 AromaticContact CZ-CZ 3.91Å |
| 615 | D | 88.6 | Confident | 85.6 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | trans | -90.4 | 132.9 | 172.1 | -88.7 | 26.6 | 0 | 0 | 0 | 109.3 | K634 S635 R885 | D615-K634 HydrophobicContact CB-CD 4.34Å; D615-K634 VanDerWaalsContact CG-CD 3.43Å; D615-K634 WeakPolarHBondContact OD2-CD 3.46Å; D615-K634 WeakPolarHBondContact OD2-CE 3.36Å; D615-K634 IonicContact OD2-NZ 2.85Å; D615-K634 PolarHBondContact OD2-NZ 3.12Å; D615-S635 PolarHBondContact OD1-N 3.37Å; D615-R885 IonicContact OD1-NE 2.66Å; D615-R885 IonicContact OD1-NH2 2.75Å | ||
| 616 | Y | 92.3 | Very high | 86.4 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -129.6 | 138.9 | -179.9 | 177.9 | -115.4 | 0 | 0 | 0 | 112.2 | F614 A618 D621 L631 S632 F633 W649 P666 | F614-Y616 HydrophobicContact CE2-CD2 4.4Å; F614-Y616 HydrophobicContact CE2-CG 4.49Å; Y616-A618 HydrophobicContact CE1-CB 3.93Å; Y616-D621 HydrophobicContact CE2-CB 4.15Å; Y616-D621 WeakPolarHBondContact CE2-OD2 3.15Å; Y616-D621 WeakPolarHBondContact OH-CB 3.23Å; Y616-D621 PolarHBondContact OH-OD2 3.01Å; Y616-L631 WeakPolarHBondContact CD1-O 3.46Å; Y616-S632 CarbonylContact O-C 3.55Å; Y616-S632 VanDerWaalsContact O-CA 3.3Å; Y616-S632 WeakPolarHBondContact O-CA 3.28Å; Y616-S632 WeakPolarHBondContact O-CB 3.17Å; Y616-F633 VanDerWaalsContact CB-CE2 3.42Å; Y616-F633 AromaticContact CD1-CD1 3.93Å; Y616-F633 HydrophobicContact CD1-CD1 3.93Å; Y616-F633 AromaticContact CD1-CE1 3.6Å; Y616-F633 HydrophobicContact CD1-CE1 3.6Å; Y616-F633 HydrophobicContact CD1-CZ 4.18Å; Y616-F633 HydrophobicContact CG-CD1 4.39Å; Y616-F633 AromaticContact CG-CE1 3.86Å; Y616-F633 HydrophobicContact CG-CE1 3.86Å; Y616-F633 AromaticContact CG-CZ 3.96Å; Y616-F633 HydrophobicContact CG-CZ 3.96Å; Y616-F633 PolarHBondContact N-O 3.44Å; Y616-F633 PolarHBondContact O-N 3.09Å; Y616-F633 VanDerWaalsContact O-O 3.07Å; Y616-W649 WeakPolarHBondContact OH-CZ3 3.5Å; Y616-P666 HydrophobicContact CD2-CG 3.89Å; Y616-P666 HydrophobicContact CE1-CG 4.32Å; Y616-P666 HydrophobicContact CE2-CG 3.54Å; Y616-P666 HydrophobicContact CG-CG 4.43Å |
| 617 | D | 93.2 | Very high | 87 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | trans | -130.7 | 103.1 | 177.2 | -172.3 | -2.8 | 0 | 0 | 0 | 111.4 | T619 K620 S632 | D617-T619 VanDerWaalsContact CG-OG1 3.22Å; D617-T619 PolarHBondContact O-N 3.4Å; D617-T619 WeakPolarHBondContact OD1-CB 3.48Å; D617-T619 PolarHBondContact OD1-N 3.39Å; D617-T619 PolarHBondContact OD1-OG1 3.09Å; D617-T619 PolarHBondContact OD2-OG1 2.87Å; D617-K620 HydrophobicContact CB-CG 4.42Å; D617-K620 PolarHBondContact O-N 2.93Å; D617-K620 VanDerWaalsContact O-N 3.09Å; D617-K620 IonicContact OD2-NZ 2.75Å; D617-K620 PolarHBondContact OD2-NZ 2.99Å; D617-S632 WeakPolarHBondContact CA-OG 3.31Å; D617-S632 PolarHBondContact OD1-OG 2.91Å | ||
| 618 | A | 93.9 | Very high | 87 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -60 | -22.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y616 K620 D621 L624 S632 | Y616-A618 HydrophobicContact CE1-CB 3.93Å; A618-K620 VanDerWaalsContact C-N 3.26Å; A618-K620 PolarHBondContact O-N 2.75Å; A618-D621 PolarHBondContact O-N 3.48Å; A618-L624 HydrophobicContact CB-CD1 3.77Å; A618-S632 PolarHBondContact N-OG 2.73Å |
| 619 | T | 91.6 | Very high | 86.9 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 66% | 0.663 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -74.9 | -16.8 | 178.1 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | D617 | D617-T619 VanDerWaalsContact CG-OG1 3.22Å; D617-T619 PolarHBondContact O-N 3.4Å; D617-T619 WeakPolarHBondContact OD1-CB 3.48Å; D617-T619 PolarHBondContact OD1-N 3.39Å; D617-T619 PolarHBondContact OD1-OG1 3.09Å; D617-T619 PolarHBondContact OD2-OG1 2.87Å |
| 620 | K | 91.1 | Very high | 87 | Confident | 163 Ų | 163 | 52.7 Ų | 52.7 | 71% | 0.709 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -102.5 | -1.7 | 178.1 | -61.5 | -171.5 | 178.2 | 78.5 | 0 | 113.3 | D617 A618 S622 | D617-K620 HydrophobicContact CB-CG 4.42Å; D617-K620 PolarHBondContact O-N 2.93Å; D617-K620 VanDerWaalsContact O-N 3.09Å; D617-K620 IonicContact OD2-NZ 2.75Å; D617-K620 PolarHBondContact OD2-NZ 2.99Å; A618-K620 VanDerWaalsContact C-N 3.26Å; A618-K620 PolarHBondContact O-N 2.75Å; K620-S622 PolarHBondContact O-N 2.92Å |
| 621 | D | 90.2 | Very high | 87.1 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | trans | -92.9 | 98.3 | -171.1 | -162.2 | -32 | 0 | 0 | 0 | 112.1 | Y616 A618 L623 L624 W649 R674 | Y616-D621 HydrophobicContact CE2-CB 4.15Å; Y616-D621 WeakPolarHBondContact CE2-OD2 3.15Å; Y616-D621 WeakPolarHBondContact OH-CB 3.23Å; Y616-D621 PolarHBondContact OH-OD2 3.01Å; A618-D621 PolarHBondContact O-N 3.48Å; D621-L623 PolarHBondContact O-N 3.16Å; D621-L623 VanDerWaalsContact O-N 3.1Å; D621-L623 WeakPolarHBondContact OD1-CB 3.41Å; D621-L623 PolarHBondContact OD1-N 2.83Å; D621-L624 HydrophobicContact CB-CD1 4.3Å; D621-L624 HydrophobicContact CB-CG 4.34Å; D621-L624 PolarHBondContact O-N 2.88Å; D621-L624 VanDerWaalsContact O-N 3.11Å; D621-W649 WeakPolarHBondContact OD2-CH2 3.43Å; D621-R674 IonicContact OD1-CZ 2.88Å; D621-R674 IonicContact OD1-NH2 3.45Å; D621-R674 PolarHBondContact OD1-NH2 2.92Å; D621-R674 IonicContact OD2-CZ 3.73Å; D621-R674 VanDerWaalsContact OD2-CZ 3.28Å; D621-R674 IonicContact OD2-NH1 3.21Å; D621-R674 PolarHBondContact OD2-NH1 3.24Å; D621-R674 IonicContact OD2-NH2 3.4Å; D621-R674 PolarHBondContact OD2-NH2 3.32Å | ||
| 622 | S | 86.7 | Confident | 87.3 | Confident | 114 Ų | 114 | 53.5 Ų | 53.5 | 80% | 0.797 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.2 | -180 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | K620 | K620-S622 PolarHBondContact O-N 2.92Š|
| 623 | L | 87 | Confident | 87.4 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.4 | 173 | -55.8 | -172 | 0 | 0 | 0 | 112.9 | D621 W649 L670 | D621-L623 PolarHBondContact O-N 3.16Å; D621-L623 VanDerWaalsContact O-N 3.1Å; D621-L623 WeakPolarHBondContact OD1-CB 3.41Å; D621-L623 PolarHBondContact OD1-N 2.83Å; L623-W649 HydrophobicContact CB-CH2 4.07Å; L623-W649 HydrophobicContact CB-CZ2 3.55Å; L623-W649 WeakPolarHBondContact O-CZ2 3.48Å; L623-L670 HydrophobicContact CD1-CD1 4.2Å |
| 624 | L | 83.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -81 | 143.8 | 167.5 | -73.3 | 177.7 | 0 | 0 | 0 | 110.6 | A618 D621 T626 W649 L664 | A618-L624 HydrophobicContact CB-CD1 3.77Å; D621-L624 HydrophobicContact CB-CD1 4.3Å; D621-L624 HydrophobicContact CB-CG 4.34Å; D621-L624 PolarHBondContact O-N 2.88Å; D621-L624 VanDerWaalsContact O-N 3.11Å; L624-T626 VanDerWaalsContact C-N 3.33Å; L624-T626 PolarHBondContact O-N 3.32Å; L624-W649 HydrophobicContact CD1-CZ3 4.44Å; L624-W649 HydrophobicContact CD2-CD2 4.17Å; L624-W649 HydrophobicContact CD2-CE3 3.74Å; L624-W649 HydrophobicContact CD2-CH2 3.56Å; L624-W649 HydrophobicContact CD2-CZ2 3.98Å; L624-W649 HydrophobicContact CD2-CZ3 3.44Å; L624-W649 VanDerWaalsContact CD2-CZ3 3.44Å; L624-W649 HydrophobicContact CG-CH2 3.56Å; L624-W649 HydrophobicContact CG-CZ2 4.24Å; L624-W649 HydrophobicContact CG-CZ3 3.73Å; L624-L664 HydrophobicContact CD2-CB 4.07Å; L624-L664 HydrophobicContact CD2-CD1 4.09Å |
| 625 | P | 71.4 | Confident | 87.7 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -62.1 | -40.6 | 172.8 | -21.8 | 33.2 | 0 | 0 | 0 | 112.6 | ||
| 626 | T | 71.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -151.2 | 146.2 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 109 | L624 D628 V629 | L624-T626 VanDerWaalsContact C-N 3.33Å; L624-T626 PolarHBondContact O-N 3.32Å; T626-D628 VanDerWaalsContact C-N 3.28Å; T626-D628 WeakPolarHBondContact CB-OD1 3.44Å; T626-D628 PolarHBondContact O-N 3.43Å; T626-D628 PolarHBondContact OG1-OD1 3.4Å; T626-V629 PolarHBondContact O-N 2.88Å; T626-V629 WeakPolarHBondContact OG1-CG2 3.49Å |
| 627 | G | 76.1 | Confident | 87.4 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -69.2 | -19.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V629 G630 | G627-V629 VanDerWaalsContact C-N 3.33Å; G627-G630 PolarHBondContact O-N 2.96Å |
| 628 | D | 81.7 | Confident | 87.4 | Confident | 122 Ų | 122 | 56.4 Ų | 56.4 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -72.6 | -24.6 | 178 | 70.1 | -50.9 | 0 | 0 | 0 | 113.4 | T626 G630 | T626-D628 VanDerWaalsContact C-N 3.28Å; T626-D628 WeakPolarHBondContact CB-OD1 3.44Å; T626-D628 PolarHBondContact O-N 3.43Å; T626-D628 PolarHBondContact OG1-OD1 3.4Å; D628-G630 PolarHBondContact O-N 2.99Å |
| 629 | V | 87.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -70.7 | -23 | 173.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | T626 G627 R663 L664 | T626-V629 PolarHBondContact O-N 2.88Å; T626-V629 WeakPolarHBondContact OG1-CG2 3.49Å; G627-V629 VanDerWaalsContact C-N 3.33Å; V629-R663 CarbonylContact O-C 3.53Å; V629-R663 WeakPolarHBondContact O-CA 3.33Å; V629-R663 WeakPolarHBondContact O-CB 3.08Å; V629-L664 HydrophobicContact CG1-CD1 3.77Å; V629-L664 HydrophobicContact CG1-CG 3.87Å; V629-L664 PolarHBondContact O-N 2.81Å |
| 630 | G | 92.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 170.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | G627 D628 R663 L664 | G627-G630 PolarHBondContact O-N 2.96Å; D628-G630 PolarHBondContact O-N 2.99Å; G630-R663 VanDerWaalsContact O-CD 3.28Å; G630-R663 WeakPolarHBondContact O-CD 3.45Å; G630-L664 CarbonylContact C-O 3.54Å; G630-L664 VanDerWaalsContact CA-O 3.24Å; G630-L664 WeakPolarHBondContact CA-O 3.2Å |
| 631 | L | 94.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | trans | -127.1 | 103.7 | 170.2 | -176.6 | 62.8 | 0 | 0 | 0 | 110.5 | Y616 F633 L639 V652 R663 L664 I665 | Y616-L631 WeakPolarHBondContact CD1-O 3.46Å; L631-F633 WeakPolarHBondContact O-CD1 3.36Å; L631-L639 HydrophobicContact CD2-CD1 4.2Å; L631-L639 HydrophobicContact CD2-CD2 3.86Å; L631-V652 HydrophobicContact CB-CG2 4.48Å; L631-V652 HydrophobicContact CD2-CG2 3.9Å; L631-R663 HydrophobicContact CB-CB 3.83Å; L631-L664 PolarHBondContact N-O 3.13Å; L631-I665 HydrophobicContact CB-CG2 4.11Å; L631-I665 WeakPolarHBondContact O-CG2 3.45Å | ||
| 632 | S | 95.1 | Very high | 87.6 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | trans | -63 | 142.4 | 168.3 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | Y616 D617 A618 | Y616-S632 CarbonylContact O-C 3.55Å; Y616-S632 VanDerWaalsContact O-CA 3.3Å; Y616-S632 WeakPolarHBondContact O-CA 3.28Å; Y616-S632 WeakPolarHBondContact O-CB 3.17Å; D617-S632 WeakPolarHBondContact CA-OG 3.31Å; D617-S632 PolarHBondContact OD1-OG 2.91Å; A618-S632 PolarHBondContact N-OG 2.73Å | ||
| 633 | F | 94.5 | Very high | 87.5 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -148.9 | 165.7 | -179.8 | 58.4 | -107 | 0 | 0 | 0 | 111.8 | C612 F614 Y616 L631 D637 L639 I665 Y715 | C612-F633 HydrophobicContact CB-CD2 3.35Å; C612-F633 HydrophobicContact CB-CE2 3.43Å; C612-F633 VanDerWaalsContact CB-CE2 3.43Å; C612-F633 HydrophobicContact CB-CG 4.1Å; C612-F633 HydrophobicContact CB-CZ 4.21Å; C612-F633 WeakPolarHBondContact SG-CD2 3.32Å; C612-F633 VanDerWaalsContact SG-CE2 3.55Å; F614-F633 HydrophobicContact CD1-CE2 4.32Å; F614-F633 HydrophobicContact CD2-CE2 4.46Å; F614-F633 HydrophobicContact CE1-CE2 4.1Å; F614-F633 AromaticContact CE1-CZ 3.91Å; F614-F633 HydrophobicContact CE1-CZ 3.91Å; F614-F633 HydrophobicContact CE2-CE2 4.28Å; F614-F633 HydrophobicContact CE2-CZ 4.07Å; F614-F633 HydrophobicContact CG-CE2 4.49Å; F614-F633 HydrophobicContact CZ-CE2 4.09Å; F614-F633 AromaticContact CZ-CZ 3.63Å; F614-F633 HydrophobicContact CZ-CZ 3.63Å; F614-F633 VanDerWaalsContact O-CE2 3.3Å; F614-F633 WeakPolarHBondContact O-CE2 3.3Å; Y616-F633 VanDerWaalsContact CB-CE2 3.42Å; Y616-F633 AromaticContact CD1-CD1 3.93Å; Y616-F633 HydrophobicContact CD1-CD1 3.93Å; Y616-F633 AromaticContact CD1-CE1 3.6Å; Y616-F633 HydrophobicContact CD1-CE1 3.6Å; Y616-F633 HydrophobicContact CD1-CZ 4.18Å; Y616-F633 HydrophobicContact CG-CD1 4.39Å; Y616-F633 AromaticContact CG-CE1 3.86Å; Y616-F633 HydrophobicContact CG-CE1 3.86Å; Y616-F633 AromaticContact CG-CZ 3.96Å; Y616-F633 HydrophobicContact CG-CZ 3.96Å; Y616-F633 PolarHBondContact N-O 3.44Å; Y616-F633 PolarHBondContact O-N 3.09Å; Y616-F633 VanDerWaalsContact O-O 3.07Å; L631-F633 WeakPolarHBondContact O-CD1 3.36Å; F633-D637 HydrophobicContact CB-CB 4.34Å; F633-L639 HydrophobicContact CB-CD1 4.47Å; F633-L639 HydrophobicContact CD1-CD1 3.94Å; F633-L639 HydrophobicContact CG-CD1 4.39Å; F633-I665 HydrophobicContact CD1-CG2 3.82Å; F633-I665 HydrophobicContact CE1-CB 3.89Å; F633-I665 HydrophobicContact CE1-CD1 4.36Å; F633-I665 HydrophobicContact CE1-CG2 3.56Å; F633-Y715 HydrophobicContact CE1-CE1 4.31Å; F633-Y715 HydrophobicContact CE2-CE1 4.45Å; F633-Y715 AromaticContact CZ-CE1 3.78Å; F633-Y715 HydrophobicContact CZ-CE1 3.78Å |
| 634 | K | 91 | Very high | 87.4 | Confident | 121 Ų | 121 | 40.3 Ų | 40.3 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | trans | -111.8 | 150.8 | 174.5 | -64 | -59.2 | -170.6 | -179.6 | 0 | 111.4 | D615 G636 D637 | D615-K634 HydrophobicContact CB-CD 4.34Å; D615-K634 VanDerWaalsContact CG-CD 3.43Å; D615-K634 WeakPolarHBondContact OD2-CD 3.46Å; D615-K634 WeakPolarHBondContact OD2-CE 3.36Å; D615-K634 IonicContact OD2-NZ 2.85Å; D615-K634 PolarHBondContact OD2-NZ 3.12Å; K634-G636 PolarHBondContact O-N 3.44Å; K634-D637 PolarHBondContact N-OD2 3.47Å; K634-D637 WeakPolarHBondContact O-CB 3.46Å; K634-D637 PolarHBondContact O-N 2.82Å | ||
| 635 | S | 86.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 122.5 | 174.9 | 164.4 | 0 | 0 | 0 | 0 | 110 | C612 L613 F614 D615 R885 | C612-S635 CarbonylContact O-C 3.48Å; C612-S635 WeakPolarHBondContact O-CA 3.1Å; L613-S635 VanDerWaalsContact C-CB 3.41Å; L613-S635 VanDerWaalsContact O-CB 3.23Å; L613-S635 WeakPolarHBondContact O-CB 3.48Å; L613-S635 PolarHBondContact O-OG 3.21Å; F614-S635 WeakPolarHBondContact O-CA 3.22Å; F614-S635 WeakPolarHBondContact O-CB 3.37Å; F614-S635 PolarHBondContact O-N 3.34Å; F614-S635 VanDerWaalsContact O-N 3.16Å; D615-S635 PolarHBondContact OD1-N 3.37Å; S635-R885 VanDerWaalsContact CB-CZ 3.42Å; S635-R885 PolarHBondContact O-NH2 3.42Å; S635-R885 PolarHBondContact OG-NH1 2.76Å |
| 636 | G | 85 | Confident | 87.4 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | -17.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C612 K634 | C612-G636 PolarHBondContact O-N 3.16Å; K634-G636 PolarHBondContact O-N 3.44Å |
| 637 | D | 91.5 | Very high | 87.7 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | trans | -62.8 | 147.5 | 167.8 | -84.5 | -50.9 | 0 | 0 | 0 | 109.9 | C612 F633 K634 K656 | C612-D637 PolarHBondContact N-O 2.73Å; F633-D637 HydrophobicContact CB-CB 4.34Å; K634-D637 PolarHBondContact N-OD2 3.47Å; K634-D637 WeakPolarHBondContact O-CB 3.46Å; K634-D637 PolarHBondContact O-N 2.82Å; D637-K656 IonicContact OD1-NZ 3.26Å; D637-K656 PolarHBondContact OD1-NZ 3.28Å; D637-K656 IonicContact OD2-NZ 2.65Å | ||
| 638 | V | 92.8 | Very high | 88.1 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.7 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 109 | V610 R611 L655 V718 W917 | V610-V638 WeakPolarHBondContact O-CA 3.09Å; R611-V638 HydrophobicContact CB-CG2 4.28Å; V638-L655 HydrophobicContact CB-CD1 4.08Å; V638-L655 HydrophobicContact CG1-CD1 3.9Å; V638-L655 WeakPolarHBondContact O-CD1 3.39Å; V638-L655 WeakPolarHBondContact O-CG 3.29Å; V638-V718 HydrophobicContact CG1-CG2 3.63Å; V638-V718 HydrophobicContact CG2-CG2 4.33Å; V638-W917 HydrophobicContact CB-CD2 4.38Å; V638-W917 HydrophobicContact CG1-CD2 3.92Å; V638-W917 HydrophobicContact CG1-CE3 3.94Å; V638-W917 HydrophobicContact CG1-CH2 4.17Å; V638-W917 HydrophobicContact CG1-CZ2 4.16Å; V638-W917 HydrophobicContact CG1-CZ3 4.06Å; V638-W917 HydrophobicContact CG2-CB 4.37Å; V638-W917 HydrophobicContact CG2-CD2 4.15Å; V638-W917 HydrophobicContact CG2-CG 3.91Å |
| 639 | L | 94.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148 | -175.2 | -56 | 178.5 | 0 | 0 | 0 | 110.3 | Y609 V610 L631 F633 V652 I665 | Y609-L639 CarbonylContact C-O 3.52Å; Y609-L639 VanDerWaalsContact CA-O 3.25Å; Y609-L639 WeakPolarHBondContact CA-O 3.32Å; V610-L639 HydrophobicContact CG2-CB 4.32Å; V610-L639 PolarHBondContact N-O 3.32Å; V610-L639 PolarHBondContact O-N 3.45Å; L631-L639 HydrophobicContact CD2-CD1 4.2Å; L631-L639 HydrophobicContact CD2-CD2 3.86Å; F633-L639 HydrophobicContact CB-CD1 4.47Å; F633-L639 HydrophobicContact CD1-CD1 3.94Å; F633-L639 HydrophobicContact CG-CD1 4.39Å; L639-V652 HydrophobicContact CB-CB 4.28Å; L639-V652 HydrophobicContact CB-CG1 4.49Å; L639-V652 HydrophobicContact CD1-CB 4.43Å; L639-V652 HydrophobicContact CD1-CG2 4.09Å; L639-I665 HydrophobicContact CD1-CD1 4.25Å; L639-I665 HydrophobicContact CD1-CG2 4.47Å |
| 640 | E | 93.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.7 | 169.5 | 177.2 | 179.5 | -169.2 | 0 | 0 | 109 | K607 Y609 V642 V652 R653 L655 | K607-E640 WeakPolarHBondContact CD-OE1 3.39Å; K607-E640 WeakPolarHBondContact CE-OE1 3.46Å; K607-E640 WeakPolarHBondContact CG-OE1 3.35Å; K607-E640 VanDerWaalsContact NZ-CD 3.25Å; K607-E640 IonicContact NZ-OE1 2.66Å; K607-E640 PolarHBondContact NZ-OE1 2.98Å; K607-E640 IonicContact NZ-OE2 3.65Å; K607-E640 PolarHBondContact NZ-OE2 3.09Å; Y609-E640 HydrophobicContact CD1-CB 4.17Å; Y609-E640 HydrophobicContact CE1-CB 4.17Å; Y609-E640 HydrophobicContact CE1-CG 4.43Å; E640-V642 HydrophobicContact CG-CG2 4.3Å; E640-V642 PolarHBondContact O-N 2.76Å; E640-V652 CarbonylContact O-C 3.58Å; E640-V652 WeakPolarHBondContact O-CA 3.33Å; E640-V652 WeakPolarHBondContact O-CB 3.22Å; E640-R653 HydrophobicContact CB-CB 4.17Å; E640-R653 PolarHBondContact N-O 2.74Å; E640-R653 PolarHBondContact O-N 2.83Å; E640-R653 IonicContact OE1-NH1 2.79Å; E640-R653 PolarHBondContact OE1-NH1 2.78Å; E640-R653 IonicContact OE2-CZ 3.8Å; E640-R653 IonicContact OE2-NH1 3.83Å; E640-R653 PolarHBondContact OE2-NH1 3.26Å; E640-L655 HydrophobicContact CB-CD2 3.89Å |
| 641 | L | 91.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 104.8 | 178.8 | -177.6 | 62.3 | 0 | 0 | 0 | 109.7 | R608 V610 D644 W650 V652 | R608-L641 HydrophobicContact CB-CB 4.26Å; R608-L641 PolarHBondContact O-N 3.01Å; V610-L641 HydrophobicContact CG1-CB 4.26Å; V610-L641 HydrophobicContact CG1-CD2 3.92Å; V610-L641 HydrophobicContact CG2-CB 4.36Å; L641-D644 HydrophobicContact CD1-CB 4.31Å; L641-D644 HydrophobicContact CD2-CB 4.26Å; L641-W650 HydrophobicContact CD1-CB 4.07Å; L641-W650 HydrophobicContact CD1-CD2 4.29Å; L641-W650 HydrophobicContact CD1-CE3 4.07Å; L641-W650 HydrophobicContact CD1-CG 4.35Å; L641-V652 HydrophobicContact CD1-CG1 4Å |
| 642 | V | 89.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.285 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -41.7 | -173.6 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | A538 E640 Q651 R653 | A538-V642 HydrophobicContact CB-CG1 3.49Å; A538-V642 VanDerWaalsContact CB-CG1 3.49Å; E640-V642 HydrophobicContact CG-CG2 4.3Å; E640-V642 PolarHBondContact O-N 2.76Å; V642-Q651 WeakPolarHBondContact CA-O 3.36Å; V642-Q651 WeakPolarHBondContact CB-O 3.35Å; V642-Q651 PolarHBondContact N-O 3.47Å; V642-R653 HydrophobicContact CG2-CB 4.17Å |
| 643 | N | 85.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 123 | 179 | -173.6 | -14.3 | 0 | 0 | 0 | 111.3 | Q645 W650 Q651 | N643-Q645 VanDerWaalsContact OD1-CB 3.27Å; N643-Q645 WeakPolarHBondContact OD1-CB 3.29Å; N643-Q645 VanDerWaalsContact OD1-CG 3.3Å; N643-Q645 WeakPolarHBondContact OD1-CG 3.2Å; N643-Q645 PolarHBondContact OD1-N 3.1Å; N643-W650 CarbonylContact O-C 3.52Å; N643-W650 WeakPolarHBondContact O-CA 3.34Å; N643-Q651 HydrophobicContact CB-CB 4Å; N643-Q651 HydrophobicContact CB-CG 4.04Å; N643-Q651 PolarHBondContact N-O 2.96Å; N643-Q651 PolarHBondContact O-N 3.01Å |
| 644 | D | 85 | Confident | 88.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | trans | -108.7 | 2.3 | -178.7 | 52.2 | 1.8 | 0 | 0 | 0 | 113.9 | R608 L641 D646 W650 | R608-D644 IonicContact CZ-OD2 3.65Å; R608-D644 IonicContact NH1-OD2 2.74Å; R608-D644 PolarHBondContact NH1-OD2 2.94Å; R608-D644 VanDerWaalsContact NH2-CG 3.25Å; R608-D644 IonicContact NH2-OD1 3.94Å; R608-D644 PolarHBondContact NH2-OD1 3.35Å; R608-D644 IonicContact NH2-OD2 2.68Å; R608-D644 PolarHBondContact NH2-OD2 2.76Å; L641-D644 HydrophobicContact CD1-CB 4.31Å; L641-D644 HydrophobicContact CD2-CB 4.26Å; D644-D646 VanDerWaalsContact C-N 3.28Å; D644-D646 PolarHBondContact O-N 2.96Å; D644-W650 VanDerWaalsContact CA-CD1 3.46Å; D644-W650 HydrophobicContact CB-CD2 4.32Å; D644-W650 HydrophobicContact CB-CG 4.23Å; D644-W650 PolarHBondContact O-NE1 2.88Å | ||
| 645 | Q | 77.5 | Confident | 88.4 | Confident | 121 Ų | 121 | 33.8 Ų | 33.8 | 57% | 0.565 | 19% | 0.186 | S | C | * | . | trans | -76.9 | -4.3 | -165.9 | -59.6 | -63.5 | -70.1 | 0 | 0 | 115.3 | N643 | N643-Q645 VanDerWaalsContact OD1-CB 3.27Å; N643-Q645 WeakPolarHBondContact OD1-CB 3.29Å; N643-Q645 VanDerWaalsContact OD1-CG 3.3Å; N643-Q645 WeakPolarHBondContact OD1-CG 3.2Å; N643-Q645 PolarHBondContact OD1-N 3.1Å | ||
| 646 | D | 78.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -102.5 | 126.2 | 170 | -177 | -95.6 | 0 | 0 | 0 | 110.8 | R535 R594 D644 N648 W649 | R535-D646 IonicContact CZ-OD1 3.61Å; R535-D646 IonicContact CZ-OD2 2.75Å; R535-D646 IonicContact NH1-OD1 3.65Å; R535-D646 PolarHBondContact NH1-OD1 3.26Å; R535-D646 IonicContact NH1-OD2 2.7Å; R535-D646 VanDerWaalsContact NH2-CG 3.25Å; R535-D646 IonicContact NH2-OD1 2.7Å; R535-D646 PolarHBondContact NH2-OD1 3.38Å; R535-D646 IonicContact NH2-OD2 2.75Å; R535-D646 PolarHBondContact NH2-OD2 3.26Å; R594-D646 IonicContact CZ-OD2 2.73Å; R594-D646 IonicContact NH1-OD2 2.78Å; R594-D646 PolarHBondContact NH1-OD2 3.5Å; R594-D646 IonicContact NH2-OD2 3.8Å; D644-D646 VanDerWaalsContact C-N 3.28Å; D644-D646 PolarHBondContact O-N 2.96Å; D646-N648 PolarHBondContact O-N 3.47Å; D646-N648 PolarHBondContact OD1-N 2.89Å; D646-W649 PolarHBondContact O-N 3.22Å; D646-W649 PolarHBondContact OD1-N 3.12Å; D646-W649 VanDerWaalsContact OD1-N 3.11Å |
| 647 | P | 77.8 | Confident | 88.4 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -72.6 | -2 | -171.4 | 30.9 | -37.9 | 0 | 0 | 0 | 114 | S667 | P647-S667 VanDerWaalsContact C-OG 3.23Å; P647-S667 PolarHBondContact O-OG 3.17Å |
| 648 | N | 84.7 | Confident | 87.5 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 32% | 0.316 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -112.8 | -33.6 | 176.8 | -67 | -10.7 | 0 | 0 | 0 | 113.1 | D646 S667 L670 R673 | D646-N648 PolarHBondContact O-N 3.47Å; D646-N648 PolarHBondContact OD1-N 2.89Å; N648-S667 WeakPolarHBondContact CA-OG 3.45Å; N648-S667 PolarHBondContact O-N 3.42Å; N648-S667 PolarHBondContact O-OG 3.1Å; N648-L670 VanDerWaalsContact O-CB 3.31Å; N648-L670 WeakPolarHBondContact O-CB 3.29Å; N648-L670 WeakPolarHBondContact O-CD2 3.11Å; N648-R673 PolarHBondContact OD1-NH1 3.35Å |
| 649 | W | 89.9 | Confident | 86.7 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 127.7 | 178.1 | -48.1 | 79.6 | 0 | 0 | 0 | 113.2 | R535 Y616 D621 L623 L624 D646 L664 I665 P666 L670 | R535-W649 PolarHBondContact NH1-O 3.34Å; Y616-W649 WeakPolarHBondContact OH-CZ3 3.5Å; D621-W649 WeakPolarHBondContact OD2-CH2 3.43Å; L623-W649 HydrophobicContact CB-CH2 4.07Å; L623-W649 HydrophobicContact CB-CZ2 3.55Å; L623-W649 WeakPolarHBondContact O-CZ2 3.48Å; L624-W649 HydrophobicContact CD1-CZ3 4.44Å; L624-W649 HydrophobicContact CD2-CD2 4.17Å; L624-W649 HydrophobicContact CD2-CE3 3.74Å; L624-W649 HydrophobicContact CD2-CH2 3.56Å; L624-W649 HydrophobicContact CD2-CZ2 3.98Å; L624-W649 HydrophobicContact CD2-CZ3 3.44Å; L624-W649 VanDerWaalsContact CD2-CZ3 3.44Å; L624-W649 HydrophobicContact CG-CH2 3.56Å; L624-W649 HydrophobicContact CG-CZ2 4.24Å; L624-W649 HydrophobicContact CG-CZ3 3.73Å; D646-W649 PolarHBondContact O-N 3.22Å; D646-W649 PolarHBondContact OD1-N 3.12Å; D646-W649 VanDerWaalsContact OD1-N 3.11Å; W649-L664 HydrophobicContact CB-CB 4.36Å; W649-L664 HydrophobicContact CB-CD1 4.28Å; W649-L664 HydrophobicContact CB-CD2 4.13Å; W649-L664 HydrophobicContact CB-CG 4.49Å; W649-L664 HydrophobicContact CE3-CB 4.22Å; W649-L664 HydrophobicContact CG-CD1 4.33Å; W649-I665 CarbonylContact C-O 3.51Å; W649-I665 VanDerWaalsContact CA-O 3.26Å; W649-I665 WeakPolarHBondContact CA-O 3.36Å; W649-P666 HydrophobicContact CZ3-CG 4.08Å; W649-L670 HydrophobicContact CD2-CD2 4.28Å; W649-L670 HydrophobicContact CH2-CD2 4.24Å; W649-L670 HydrophobicContact CZ2-CD2 3.98Å |
| 650 | W | 92.6 | Very high | 86.2 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 149.3 | 171.3 | -62.9 | -14.2 | 0 | 0 | 0 | 110.7 | L641 N643 D644 L664 I665 Q668 Y715 | L641-W650 HydrophobicContact CD1-CB 4.07Å; L641-W650 HydrophobicContact CD1-CD2 4.29Å; L641-W650 HydrophobicContact CD1-CE3 4.07Å; L641-W650 HydrophobicContact CD1-CG 4.35Å; N643-W650 CarbonylContact O-C 3.52Å; N643-W650 WeakPolarHBondContact O-CA 3.34Å; D644-W650 VanDerWaalsContact CA-CD1 3.46Å; D644-W650 HydrophobicContact CB-CD2 4.32Å; D644-W650 HydrophobicContact CB-CG 4.23Å; D644-W650 PolarHBondContact O-NE1 2.88Å; W650-L664 WeakPolarHBondContact O-CA 3.45Å; W650-I665 HydrophobicContact CB-CG1 4.07Å; W650-I665 PolarHBondContact N-O 3.27Å; W650-I665 PolarHBondContact O-N 2.91Å; W650-Q668 HydrophobicContact CH2-CB 3.68Å; W650-Q668 HydrophobicContact CZ2-CB 3.89Å; W650-Y715 HydrophobicContact CE3-CD2 4.1Å; W650-Y715 HydrophobicContact CE3-CE2 4.17Å; W650-Y715 HydrophobicContact CH2-CD2 4.1Å; W650-Y715 AromaticContact CZ3-CD2 3.45Å; W650-Y715 HydrophobicContact CZ3-CD2 3.45Å; W650-Y715 VanDerWaalsContact CZ3-CD2 3.45Å; W650-Y715 AromaticContact CZ3-CE2 3.97Å; W650-Y715 HydrophobicContact CZ3-CE2 3.97Å; W650-Y715 AromaticContact CZ3-CG 3.91Å; W650-Y715 HydrophobicContact CZ3-CG 3.91Å |
| 651 | Q | 92.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.5 | 174.7 | -44.5 | -175 | 8.3 | 0 | 0 | 108.9 | V536 V642 N643 A662 R663 L664 | V536-Q651 PolarHBondContact O-NE2 2.84Å; V642-Q651 WeakPolarHBondContact CA-O 3.36Å; V642-Q651 WeakPolarHBondContact CB-O 3.35Å; V642-Q651 PolarHBondContact N-O 3.47Å; N643-Q651 HydrophobicContact CB-CB 4Å; N643-Q651 HydrophobicContact CB-CG 4.04Å; N643-Q651 PolarHBondContact N-O 2.96Å; N643-Q651 PolarHBondContact O-N 3.01Å; Q651-A662 HydrophobicContact CB-CB 4.3Å; Q651-R663 WeakPolarHBondContact CA-O 3.2Å; Q651-L664 HydrophobicContact CG-CD2 3.92Å |
| 652 | V | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 163.3 | -173.4 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | L631 L639 E640 L641 A662 R663 I665 | L631-V652 HydrophobicContact CB-CG2 4.48Å; L631-V652 HydrophobicContact CD2-CG2 3.9Å; L639-V652 HydrophobicContact CB-CB 4.28Å; L639-V652 HydrophobicContact CB-CG1 4.49Å; L639-V652 HydrophobicContact CD1-CB 4.43Å; L639-V652 HydrophobicContact CD1-CG2 4.09Å; E640-V652 CarbonylContact O-C 3.58Å; E640-V652 WeakPolarHBondContact O-CA 3.33Å; E640-V652 WeakPolarHBondContact O-CB 3.22Å; L641-V652 HydrophobicContact CD1-CG1 4Å; V652-A662 WeakPolarHBondContact O-CA 3.42Å; V652-R663 WeakPolarHBondContact CG2-O 3.13Å; V652-R663 PolarHBondContact N-O 3.02Å; V652-R663 PolarHBondContact O-N 3.22Å; V652-I665 HydrophobicContact CB-CD1 4.33Å; V652-I665 HydrophobicContact CG1-CD1 3.46Å; V652-I665 VanDerWaalsContact CG1-CD1 3.46Å; V652-I665 HydrophobicContact CG1-CG1 3.86Å; V652-I665 HydrophobicContact CG2-CB 4.29Å; V652-I665 HydrophobicContact CG2-CD1 3.95Å; V652-I665 HydrophobicContact CG2-CG1 3.87Å; V652-I665 HydrophobicContact CG2-CG2 3.57Å |
| 653 | R | 92.1 | Very high | 85.9 | Confident | 45 Ų | 45 | 60 Ų | 60 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.1 | 171.6 | -165.7 | -173.5 | -71.1 | 114.1 | 0 | 111.1 | E640 V642 P658 S660 | E640-R653 HydrophobicContact CB-CB 4.17Å; E640-R653 PolarHBondContact N-O 2.74Å; E640-R653 PolarHBondContact O-N 2.83Å; E640-R653 IonicContact OE1-NH1 2.79Å; E640-R653 PolarHBondContact OE1-NH1 2.78Å; E640-R653 IonicContact OE2-CZ 3.8Å; E640-R653 IonicContact OE2-NH1 3.83Å; E640-R653 PolarHBondContact OE2-NH1 3.26Å; V642-R653 HydrophobicContact CG2-CB 4.17Å; R653-P658 VanDerWaalsContact CD-C 3.49Å; R653-P658 WeakPolarHBondContact CD-O 3.3Å; R653-S660 WeakPolarHBondContact CD-O 3.48Å; R653-S660 WeakPolarHBondContact CG-OG 3.37Å; R653-S660 PolarHBondContact NE-O 2.81Å |
| 654 | S | 92 | Very high | 86.3 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.1 | 172.2 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | K656 E657 | S654-K656 PolarHBondContact O-N 3.25Å; S654-K656 WeakPolarHBondContact OG-CB 3.4Å; S654-K656 PolarHBondContact OG-N 3.47Å; S654-E657 CarbonylContact O-C 3.56Å; S654-E657 PolarHBondContact O-N 2.82Å |
| 655 | L | 89.5 | Confident | 86.8 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.4 | 174.8 | -59.2 | -174.4 | 0 | 0 | 0 | 113.4 | Y609 V638 E640 W917 | Y609-L655 HydrophobicContact CD1-CD1 4.19Å; Y609-L655 HydrophobicContact CD1-CD2 3.83Å; Y609-L655 HydrophobicContact CE1-CD1 4.46Å; Y609-L655 HydrophobicContact CE1-CD2 3.62Å; V638-L655 HydrophobicContact CB-CD1 4.08Å; V638-L655 HydrophobicContact CG1-CD1 3.9Å; V638-L655 WeakPolarHBondContact O-CD1 3.39Å; V638-L655 WeakPolarHBondContact O-CG 3.29Å; E640-L655 HydrophobicContact CB-CD2 3.89Å; L655-W917 HydrophobicContact CD1-CH2 3.91Å; L655-W917 HydrophobicContact CD1-CZ2 3.54Å |
| 656 | K | 86.9 | Confident | 87.5 | Confident | 156 Ų | 156 | 50.1 Ų | 50.1 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.6 | 172.6 | -58.1 | 159.6 | -170.3 | 160.4 | 0 | 111.1 | D637 S654 | D637-K656 IonicContact OD1-NZ 3.26Å; D637-K656 PolarHBondContact OD1-NZ 3.28Å; D637-K656 IonicContact OD2-NZ 2.65Å; S654-K656 PolarHBondContact O-N 3.25Å; S654-K656 WeakPolarHBondContact OG-CB 3.4Å; S654-K656 PolarHBondContact OG-N 3.47Å |
| 657 | E | 85.3 | Confident | 88.1 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -133.3 | 70.6 | -178.4 | -61.1 | 169.3 | -168.1 | 0 | 0 | 110 | S654 N659 S660 R663 | S654-E657 CarbonylContact O-C 3.56Å; S654-E657 PolarHBondContact O-N 2.82Å; E657-N659 PolarHBondContact O-N 2.97Å; E657-S660 WeakPolarHBondContact CB-OG 3.44Å; E657-S660 VanDerWaalsContact O-CB 3.32Å; E657-S660 WeakPolarHBondContact O-CB 3.45Å; E657-S660 PolarHBondContact O-N 2.96Å; E657-S660 PolarHBondContact O-OG 2.96Å; E657-S660 VanDerWaalsContact OE2-CB 3.29Å; E657-S660 WeakPolarHBondContact OE2-CB 3.26Å; E657-R663 IonicContact OE1-NH2 2.76Å; E657-R663 IonicContact OE2-NH2 3.21Å; E657-R663 PolarHBondContact OE2-NH2 2.91Å |
| 658 | P | 71.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 49% | 0.494 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.3 | -169.5 | 25.1 | -35.5 | 0 | 0 | 0 | 115.2 | R653 | R653-P658 VanDerWaalsContact CD-C 3.49Å; R653-P658 WeakPolarHBondContact CD-O 3.3Å |
| 659 | N | 77.7 | Confident | 88.3 | Confident | 161 Ų | 161 | 47 Ų | 47 | 86% | 0.861 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | 8.2 | 174.5 | -64 | -17.1 | 0 | 0 | 0 | 113.4 | E657 | E657-N659 PolarHBondContact O-N 2.97Š|
| 660 | S | 82.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 47 Ų | 47 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -68.4 | 158.9 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | R653 E657 | R653-S660 WeakPolarHBondContact CD-O 3.48Å; R653-S660 WeakPolarHBondContact CG-OG 3.37Å; R653-S660 PolarHBondContact NE-O 2.81Å; E657-S660 WeakPolarHBondContact CB-OG 3.44Å; E657-S660 VanDerWaalsContact O-CB 3.32Å; E657-S660 WeakPolarHBondContact O-CB 3.45Å; E657-S660 PolarHBondContact O-N 2.96Å; E657-S660 PolarHBondContact O-OG 2.96Å; E657-S660 VanDerWaalsContact OE2-CB 3.29Å; E657-S660 WeakPolarHBondContact OE2-CB 3.26Å |
| 661 | K | 85 | Confident | 87.9 | Confident | 153 Ų | 153 | 46.3 Ų | 46.3 | 67% | 0.665 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -64.6 | 146.3 | 172.5 | -59.1 | -177 | -179.3 | -179.5 | 0 | 109.6 | ||
| 662 | A | 90.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 137.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A538 Q651 V652 | A538-A662 HydrophobicContact CB-CB 4.26Å; Q651-A662 HydrophobicContact CB-CB 4.3Å; V652-A662 WeakPolarHBondContact O-CA 3.42Å |
| 663 | R | 93 | Very high | 86.4 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 161 | -179.5 | -61.7 | -168.8 | -134.1 | -174 | 5.1 | 110.2 | V629 G630 L631 Q651 V652 E657 | V629-R663 CarbonylContact O-C 3.53Å; V629-R663 WeakPolarHBondContact O-CA 3.33Å; V629-R663 WeakPolarHBondContact O-CB 3.08Å; G630-R663 VanDerWaalsContact O-CD 3.28Å; G630-R663 WeakPolarHBondContact O-CD 3.45Å; L631-R663 HydrophobicContact CB-CB 3.83Å; Q651-R663 WeakPolarHBondContact CA-O 3.2Å; V652-R663 WeakPolarHBondContact CG2-O 3.13Å; V652-R663 PolarHBondContact N-O 3.02Å; V652-R663 PolarHBondContact O-N 3.22Å; E657-R663 IonicContact OE1-NH2 2.76Å; E657-R663 IonicContact OE2-NH2 3.21Å; E657-R663 PolarHBondContact OE2-NH2 2.91Å |
| 664 | L | 94.4 | Very high | 86 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 142.5 | -176.8 | -62.4 | -173.9 | 0 | 0 | 0 | 113.2 | L537 L624 V629 G630 L631 W649 W650 Q651 | L537-L664 HydrophobicContact CD2-CD2 4.08Å; L624-L664 HydrophobicContact CD2-CB 4.07Å; L624-L664 HydrophobicContact CD2-CD1 4.09Å; V629-L664 HydrophobicContact CG1-CD1 3.77Å; V629-L664 HydrophobicContact CG1-CG 3.87Å; V629-L664 PolarHBondContact O-N 2.81Å; G630-L664 CarbonylContact C-O 3.54Å; G630-L664 VanDerWaalsContact CA-O 3.24Å; G630-L664 WeakPolarHBondContact CA-O 3.2Å; L631-L664 PolarHBondContact N-O 3.13Å; W649-L664 HydrophobicContact CB-CB 4.36Å; W649-L664 HydrophobicContact CB-CD1 4.28Å; W649-L664 HydrophobicContact CB-CD2 4.13Å; W649-L664 HydrophobicContact CB-CG 4.49Å; W649-L664 HydrophobicContact CE3-CB 4.22Å; W649-L664 HydrophobicContact CG-CD1 4.33Å; W650-L664 WeakPolarHBondContact O-CA 3.45Å; Q651-L664 HydrophobicContact CG-CD2 3.92Å |
| 665 | I | 95.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.8 | 164.1 | 60.6 | 170.9 | 0 | 0 | 0 | 109.8 | L631 F633 L639 W649 W650 V652 S667 Y715 | L631-I665 HydrophobicContact CB-CG2 4.11Å; L631-I665 WeakPolarHBondContact O-CG2 3.45Å; F633-I665 HydrophobicContact CD1-CG2 3.82Å; F633-I665 HydrophobicContact CE1-CB 3.89Å; F633-I665 HydrophobicContact CE1-CD1 4.36Å; F633-I665 HydrophobicContact CE1-CG2 3.56Å; L639-I665 HydrophobicContact CD1-CD1 4.25Å; L639-I665 HydrophobicContact CD1-CG2 4.47Å; W649-I665 CarbonylContact C-O 3.51Å; W649-I665 VanDerWaalsContact CA-O 3.26Å; W649-I665 WeakPolarHBondContact CA-O 3.36Å; W650-I665 HydrophobicContact CB-CG1 4.07Å; W650-I665 PolarHBondContact N-O 3.27Å; W650-I665 PolarHBondContact O-N 2.91Å; V652-I665 HydrophobicContact CB-CD1 4.33Å; V652-I665 HydrophobicContact CG1-CD1 3.46Å; V652-I665 VanDerWaalsContact CG1-CD1 3.46Å; V652-I665 HydrophobicContact CG1-CG1 3.86Å; V652-I665 HydrophobicContact CG2-CB 4.29Å; V652-I665 HydrophobicContact CG2-CD1 3.95Å; V652-I665 HydrophobicContact CG2-CG1 3.87Å; V652-I665 HydrophobicContact CG2-CG2 3.57Å; I665-S667 PolarHBondContact O-N 2.81Å; I665-Y715 HydrophobicContact CD1-CE1 3.86Å |
| 666 | P | 93.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 133.3 | 174 | -24.5 | 34.8 | 0 | 0 | 0 | 110.2 | Y616 W649 L670 Y715 | Y616-P666 HydrophobicContact CD2-CG 3.89Å; Y616-P666 HydrophobicContact CE1-CG 4.32Å; Y616-P666 HydrophobicContact CE2-CG 3.54Å; Y616-P666 HydrophobicContact CG-CG 4.43Å; W649-P666 HydrophobicContact CZ3-CG 4.08Å; P666-L670 HydrophobicContact CB-CB 4.45Å; P666-L670 HydrophobicContact CB-CD2 4.1Å; P666-L670 HydrophobicContact CB-CG 4.41Å; P666-Y715 WeakPolarHBondContact O-CE2 3.43Å; P666-Y715 VanDerWaalsContact O-CZ 3.31Å; P666-Y715 PolarHBondContact O-OH 3.41Å |
| 667 | S | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -63.4 | 161.6 | 168.7 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | P647 N648 I665 T669 L670 E671 | P647-S667 VanDerWaalsContact C-OG 3.23Å; P647-S667 PolarHBondContact O-OG 3.17Å; N648-S667 WeakPolarHBondContact CA-OG 3.45Å; N648-S667 PolarHBondContact O-N 3.42Å; N648-S667 PolarHBondContact O-OG 3.1Å; I665-S667 PolarHBondContact O-N 2.81Å; S667-T669 PolarHBondContact O-N 2.78Å; S667-T669 PolarHBondContact OG-N 2.78Å; S667-L670 PolarHBondContact O-N 3.09Å; S667-L670 WeakPolarHBondContact OG-CB 3.39Å; S667-L670 PolarHBondContact OG-N 3.03Å; S667-E671 PolarHBondContact O-N 2.77Å | ||
| 668 | Q | 85.2 | Confident | 82.5 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.4 | -44.4 | 169.9 | -174.4 | -172.9 | -39.6 | 0 | 0 | 111.1 | W650 L670 E671 E672 R709 Y715 | W650-Q668 HydrophobicContact CH2-CB 3.68Å; W650-Q668 HydrophobicContact CZ2-CB 3.89Å; Q668-L670 PolarHBondContact O-N 2.69Å; Q668-E671 PolarHBondContact O-N 3.22Å; Q668-E672 HydrophobicContact CG-CG 4.36Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.49Å; Q668-E672 PolarHBondContact NE2-OE1 3.07Å; Q668-E672 WeakPolarHBondContact O-CB 3.41Å; Q668-E672 VanDerWaalsContact O-CG 3.3Å; Q668-E672 WeakPolarHBondContact O-CG 3.22Å; Q668-E672 PolarHBondContact O-N 3.22Å; Q668-R709 VanDerWaalsContact CD-NH2 3.33Å; Q668-Y715 HydrophobicContact CB-CD2 4.31Å |
| 669 | T | 81.8 | Confident | 81.9 | Confident | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.3 | -28.8 | -178.8 | -38.6 | 0 | 0 | 0 | 0 | 114 | S667 R673 | S667-T669 PolarHBondContact O-N 2.78Å; S667-T669 PolarHBondContact OG-N 2.78Å; T669-R673 VanDerWaalsContact O-CG 3.31Å; T669-R673 WeakPolarHBondContact O-CG 3.47Å; T669-R673 PolarHBondContact O-N 2.74Å |
| 670 | L | 87.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.6 | -41.8 | 171.5 | 179.4 | 58.6 | 0 | 0 | 0 | 110.7 | L623 N648 W649 P666 S667 Q668 R673 R674 | L623-L670 HydrophobicContact CD1-CD1 4.2Å; N648-L670 VanDerWaalsContact O-CB 3.31Å; N648-L670 WeakPolarHBondContact O-CB 3.29Å; N648-L670 WeakPolarHBondContact O-CD2 3.11Å; W649-L670 HydrophobicContact CD2-CD2 4.28Å; W649-L670 HydrophobicContact CH2-CD2 4.24Å; W649-L670 HydrophobicContact CZ2-CD2 3.98Å; P666-L670 HydrophobicContact CB-CB 4.45Å; P666-L670 HydrophobicContact CB-CD2 4.1Å; P666-L670 HydrophobicContact CB-CG 4.41Å; S667-L670 PolarHBondContact O-N 3.09Å; S667-L670 WeakPolarHBondContact OG-CB 3.39Å; S667-L670 PolarHBondContact OG-N 3.03Å; Q668-L670 PolarHBondContact O-N 2.69Å; L670-R673 PolarHBondContact O-N 2.74Å; L670-R674 WeakPolarHBondContact O-CG 3.33Å; L670-R674 PolarHBondContact O-N 3.02Å |
| 671 | E | 86.7 | Confident | 79.1 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -39.1 | -179.7 | -170.1 | 54.1 | -148.4 | 0 | 0 | 111.9 | F614 S667 Q668 R673 R674 Q675 | F614-E671 HydrophobicContact CE1-CG 4.02Å; F614-E671 HydrophobicContact CE2-CG 4.06Å; F614-E671 HydrophobicContact CZ-CB 4.43Å; F614-E671 HydrophobicContact CZ-CG 3.75Å; S667-E671 PolarHBondContact O-N 2.77Å; Q668-E671 PolarHBondContact O-N 3.22Å; E671-R673 VanDerWaalsContact C-N 3.34Å; E671-R673 PolarHBondContact O-N 3.46Å; E671-R674 WeakPolarHBondContact O-CB 3.45Å; E671-R674 PolarHBondContact O-N 3.37Å; E671-R674 VanDerWaalsContact O-N 3.17Å; E671-R674 WeakPolarHBondContact OE2-CD 3.29Å; E671-Q675 WeakPolarHBondContact O-CG 3.43Å; E671-Q675 PolarHBondContact O-N 2.95Å; E671-Q675 PolarHBondContact OE1-NE2 2.83Å |
| 672 | E | 77 | Confident | 77.1 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.1 | -47 | 169.7 | -77.9 | 166 | 171.9 | 0 | 0 | 111.8 | Q668 Q675 A676 A700 I712 | Q668-E672 HydrophobicContact CG-CG 4.36Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.49Å; Q668-E672 PolarHBondContact NE2-OE1 3.07Å; Q668-E672 WeakPolarHBondContact O-CB 3.41Å; Q668-E672 VanDerWaalsContact O-CG 3.3Å; Q668-E672 WeakPolarHBondContact O-CG 3.22Å; Q668-E672 PolarHBondContact O-N 3.22Å; E672-Q675 PolarHBondContact O-N 2.66Å; E672-A676 WeakPolarHBondContact O-CB 3.06Å; E672-A676 PolarHBondContact O-N 3.41Å; E672-A700 HydrophobicContact CG-CB 4.36Å; E672-I712 HydrophobicContact CB-CD1 4.26Å; E672-I712 HydrophobicContact CG-CB 4.42Å; E672-I712 HydrophobicContact CG-CD1 3.98Å; E672-I712 HydrophobicContact CG-CG2 3.67Å |
| 673 | R | 78.2 | Confident | 74.8 | Confident | 126 Ų | 126 | 61 Ų | 61 | 48% | 0.475 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.5 | -69.4 | 175.8 | -163.7 | 131.8 | -1.7 | 112.7 | N648 T669 L670 E671 F677 | N648-R673 PolarHBondContact OD1-NH1 3.35Å; T669-R673 VanDerWaalsContact O-CG 3.31Å; T669-R673 WeakPolarHBondContact O-CG 3.47Å; T669-R673 PolarHBondContact O-N 2.74Å; L670-R673 PolarHBondContact O-N 2.74Å; E671-R673 VanDerWaalsContact C-N 3.34Å; E671-R673 PolarHBondContact O-N 3.46Å; R673-F677 WeakPolarHBondContact O-CB 3.27Å; R673-F677 PolarHBondContact O-N 2.61Å; R673-F677 VanDerWaalsContact O-N 3.09Å |
| 674 | R | 83.3 | Confident | 72.5 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.3 | -75.5 | 170 | 170.8 | -168.8 | -6.7 | 111.4 | D621 L670 E671 F677 N678 | D621-R674 IonicContact OD1-CZ 2.88Å; D621-R674 IonicContact OD1-NH2 3.45Å; D621-R674 PolarHBondContact OD1-NH2 2.92Å; D621-R674 IonicContact OD2-CZ 3.73Å; D621-R674 VanDerWaalsContact OD2-CZ 3.28Å; D621-R674 IonicContact OD2-NH1 3.21Å; D621-R674 PolarHBondContact OD2-NH1 3.24Å; D621-R674 IonicContact OD2-NH2 3.4Å; D621-R674 PolarHBondContact OD2-NH2 3.32Å; L670-R674 WeakPolarHBondContact O-CG 3.33Å; L670-R674 PolarHBondContact O-N 3.02Å; E671-R674 WeakPolarHBondContact O-CB 3.45Å; E671-R674 PolarHBondContact O-N 3.37Å; E671-R674 VanDerWaalsContact O-N 3.17Å; E671-R674 WeakPolarHBondContact OE2-CD 3.29Å; R674-F677 PolarHBondContact O-N 2.68Å; R674-N678 WeakPolarHBondContact O-CB 3.13Å; R674-N678 VanDerWaalsContact O-CG 3.25Å; R674-N678 PolarHBondContact O-N 2.88Å; R674-N678 PolarHBondContact O-ND2 2.6Å |
| 675 | Q | 73.3 | Confident | 70.1 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | -178.8 | -67.5 | -179.2 | 16.8 | 0 | 0 | 111.6 | E671 E672 F677 N678 Q679 | E671-Q675 WeakPolarHBondContact O-CG 3.43Å; E671-Q675 PolarHBondContact O-N 2.95Å; E671-Q675 PolarHBondContact OE1-NE2 2.83Å; E672-Q675 PolarHBondContact O-N 2.66Å; Q675-F677 PolarHBondContact O-N 2.82Å; Q675-N678 PolarHBondContact O-N 3.07Å; Q675-Q679 WeakPolarHBondContact O-CG 3.35Å; Q675-Q679 PolarHBondContact O-N 2.91Å |
| 676 | A | 67 | Low | 67.3 | Low | 30 Ų | 30 | 72.4 Ų | 72.4 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E672 N678 Q679 E680 F698 | E672-A676 WeakPolarHBondContact O-CB 3.06Å; E672-A676 PolarHBondContact O-N 3.41Å; A676-N678 VanDerWaalsContact C-N 3.34Å; A676-N678 PolarHBondContact O-N 3.47Å; A676-Q679 PolarHBondContact O-N 2.93Å; A676-E680 PolarHBondContact O-N 3.19Å; A676-E680 VanDerWaalsContact O-N 3.13Å; A676-F698 HydrophobicContact CB-CE1 4.33Å |
| 677 | F | 70.5 | Confident | 64.4 | Low | 127 Ų | 127 | 77.1 Ų | 77.1 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 178.2 | -174.5 | -105 | 0 | 0 | 0 | 112.8 | R673 R674 Q675 E680 K681 | R673-F677 WeakPolarHBondContact O-CB 3.27Å; R673-F677 PolarHBondContact O-N 2.61Å; R673-F677 VanDerWaalsContact O-N 3.09Å; R674-F677 PolarHBondContact O-N 2.68Å; Q675-F677 PolarHBondContact O-N 2.82Å; F677-E680 PolarHBondContact O-N 3.4Å; F677-K681 PolarHBondContact O-N 3Å; F677-K681 VanDerWaalsContact O-N 3.16Å |
| 678 | N | 68.5 | Low | 61.7 | Low | 89 Ų | 89 | 89.2 Ų | 89.2 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 175.2 | -73.4 | -23.2 | 0 | 0 | 0 | 112.4 | R674 Q675 A676 K681 L682 | R674-N678 WeakPolarHBondContact O-CB 3.13Å; R674-N678 VanDerWaalsContact O-CG 3.25Å; R674-N678 PolarHBondContact O-N 2.88Å; R674-N678 PolarHBondContact O-ND2 2.6Å; Q675-N678 PolarHBondContact O-N 3.07Å; A676-N678 VanDerWaalsContact C-N 3.34Å; A676-N678 PolarHBondContact O-N 3.47Å; N678-K681 PolarHBondContact O-N 3.41Å; N678-L682 WeakPolarHBondContact O-CG 3.4Å; N678-L682 PolarHBondContact O-N 2.98Å |
| 679 | Q | 59.4 | Low | 59.1 | Low | 83 Ų | 83 | 95.5 Ų | 95.5 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.7 | -73.1 | -176.9 | 21.6 | 0 | 0 | 112.2 | Q675 A676 K681 L682 Q683 | Q675-Q679 WeakPolarHBondContact O-CG 3.35Å; Q675-Q679 PolarHBondContact O-N 2.91Å; A676-Q679 PolarHBondContact O-N 2.93Å; Q679-K681 VanDerWaalsContact C-N 3.31Å; Q679-K681 PolarHBondContact O-N 3.19Å; Q679-L682 PolarHBondContact O-N 3.31Å; Q679-Q683 WeakPolarHBondContact O-CG 3.49Å; Q679-Q683 PolarHBondContact O-N 3.2Å |
| 680 | E | 52.8 | Low | 56.5 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.7 | -45.8 | 175.3 | -178.2 | 174.8 | -156.9 | 0 | 0 | 111.1 | A676 F677 L682 Q683 A684 | A676-E680 PolarHBondContact O-N 3.19Å; A676-E680 VanDerWaalsContact O-N 3.13Å; F677-E680 PolarHBondContact O-N 3.4Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 3.17Å; E680-Q683 PolarHBondContact O-N 3.44Å; E680-A684 PolarHBondContact O-N 3.45Å |
| 681 | K | 47.7 | Very low | 53.9 | Low | 138 Ų | 138 | 110 Ų | 110 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -30.5 | 179.5 | -159.4 | 172.8 | -173.5 | 178.8 | 0 | 113.6 | F677 N678 Q679 | F677-K681 PolarHBondContact O-N 3Å; F677-K681 VanDerWaalsContact O-N 3.16Å; N678-K681 PolarHBondContact O-N 3.41Å; Q679-K681 VanDerWaalsContact C-N 3.31Å; Q679-K681 PolarHBondContact O-N 3.19Å |
| 682 | L | 43.1 | Very low | 51.2 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.3 | -45.5 | 172.3 | -74.9 | 166.3 | 0 | 0 | 0 | 111.7 | N678 Q679 E680 A684 N685 | N678-L682 WeakPolarHBondContact O-CG 3.4Å; N678-L682 PolarHBondContact O-N 2.98Å; Q679-L682 PolarHBondContact O-N 3.31Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 3.17Å; L682-A684 VanDerWaalsContact C-N 3.31Å; L682-A684 PolarHBondContact O-N 3.15Å; L682-N685 PolarHBondContact O-N 3.35Å |
| 683 | Q | 43.7 | Very low | 49 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 64% | 0.64 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -36.9 | 179 | -69.6 | 178.1 | 39.3 | 0 | 0 | 112.3 | Q679 E680 N685 T686 | Q679-Q683 WeakPolarHBondContact O-CG 3.49Å; Q679-Q683 PolarHBondContact O-N 3.2Å; E680-Q683 PolarHBondContact O-N 3.44Å; Q683-N685 VanDerWaalsContact C-N 3.25Å; Q683-N685 PolarHBondContact O-N 3.34Å; Q683-T686 PolarHBondContact O-N 3.31Å; Q683-T686 PolarHBondContact O-OG1 3.22Å |
| 684 | A | 43.9 | Very low | 46.9 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.9 | -33.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E680 L682 | E680-A684 PolarHBondContact O-N 3.45Å; L682-A684 VanDerWaalsContact C-N 3.31Å; L682-A684 PolarHBondContact O-N 3.15Å |
| 685 | N | 42.9 | Very low | 44.6 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.1 | -17.1 | -179.7 | -77.5 | -6 | 0 | 0 | 0 | 113.5 | L682 Q683 S687 | L682-N685 PolarHBondContact O-N 3.35Å; Q683-N685 VanDerWaalsContact C-N 3.25Å; Q683-N685 PolarHBondContact O-N 3.34Å; N685-S687 PolarHBondContact O-N 2.98Å |
| 686 | T | 38 | Very low | 42.6 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -102.5 | 79.5 | -175.4 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | Q683 | Q683-T686 PolarHBondContact O-N 3.31Å; Q683-T686 PolarHBondContact O-OG1 3.22Å |
| 687 | S | 32.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | 60.9 | 104.4 | 155.5 | 62.6 | 0 | 0 | 0 | 0 | 120.2 | N685 K689 | N685-S687 PolarHBondContact O-N 2.98Å; S687-K689 PolarHBondContact O-N 3.44Å | ||
| 688 | R | 32.1 | Very low | 39.1 | Very low | 254 Ų | 254 | 141.2 Ų | 141.2 | 96% | 0.958 | 69% | 0.688 | S | S | * | * | 36.4 | 62.3 | 123.5 | -57.7 | -178.4 | -176.6 | 166.5 | 1.3 | 118.2 | |||||
| 689 | K | 31.4 | Very low | 37.2 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | -155.3 | 123.3 | 155.1 | -114.4 | 164.3 | -173.2 | 174.8 | 0 | 111.4 | S687 W691 | S687-K689 PolarHBondContact O-N 3.44Å; K689-W691 PolarHBondContact O-N 3.35Å | ||
| 690 | P | 28.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 87% | 0.87 | 68% | 0.682 | S | S | * | * | trans | -81 | 84.3 | 179.4 | 32.6 | -33.8 | 0 | 0 | 0 | 110.3 | ||||
| 691 | W | 31.4 | Very low | 34.6 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | trans | -77.9 | 143.7 | 168.8 | -76.4 | 13.3 | 0 | 0 | 0 | 110.2 | K689 K693 | K689-W691 PolarHBondContact O-N 3.35Å; W691-K693 PolarHBondContact O-N 3.38Å | ||
| 692 | K | 30.5 | Very low | 33.8 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 85% | 0.852 | 67% | 0.665 | S | S | * | * | trans | -59.8 | 137.7 | -171.3 | -64.4 | 177.7 | -179.5 | 177.1 | 0 | 109.9 | V694 | K692-V694 VanDerWaalsContact C-N 3.32Å; K692-V694 PolarHBondContact O-N 3.11Å | ||
| 693 | K | 31.3 | Very low | 33.1 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 90% | 0.896 | 64% | 0.641 | S | S | * | * | trans | -66.1 | 81.5 | -177.1 | -68.6 | -173.4 | 178.3 | -175.9 | 0 | 112.3 | W691 K695 | W691-K693 PolarHBondContact O-N 3.38Å; K693-K695 PolarHBondContact O-N 3.4Å; K693-K695 VanDerWaalsContact O-N 3.15Å | ||
| 694 | V | 33.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 61% | 0.606 | 62% | 0.624 | S | S | * | * | trans | -78.9 | 91.7 | 169.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | K692 T696 | K692-V694 VanDerWaalsContact C-N 3.32Å; K692-V694 PolarHBondContact O-N 3.11Å; V694-T696 VanDerWaalsContact C-N 3.26Å; V694-T696 HydrophobicContact CG1-CG2 3.62Å; V694-T696 WeakPolarHBondContact CG1-OG1 3.3Å; V694-T696 PolarHBondContact O-N 2.8Å | ||
| 695 | K | 34.1 | Very low | 31.8 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | trans | -68.9 | 73.2 | 175.3 | -71 | -172.5 | -179.9 | -173.9 | 0 | 111 | E108 K693 | E108-K695 IonicContact OE1-NZ 3.96Å; E108-K695 PolarHBondContact OE1-NZ 3.31Å; E108-K695 IonicContact OE2-NZ 3.76Å; E108-K695 PolarHBondContact OE2-NZ 2.84Å; K693-K695 PolarHBondContact O-N 3.4Å; K693-K695 VanDerWaalsContact O-N 3.15Å | ||
| 696 | T | 31.4 | Very low | 31.2 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 48% | 0.479 | 62% | 0.622 | S | S | . | * | trans | -132.5 | 43 | -178.2 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | V694 | V694-T696 VanDerWaalsContact C-N 3.26Å; V694-T696 HydrophobicContact CG1-CG2 3.62Å; V694-T696 WeakPolarHBondContact CG1-OG1 3.3Å; V694-T696 PolarHBondContact O-N 2.8Å | ||
| 697 | F | 30.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 120 Ų | 120 | 75% | 0.746 | 61% | 0.606 | S | S | * | * | trans | -131.8 | 32.8 | -176.5 | -72.7 | -74.3 | 0 | 0 | 0 | 115.3 | ||||
| 698 | F | 34 | Very low | 30.9 | Very low | 167 Ų | 167 | 118 Ų | 118 | 73% | 0.732 | 59% | 0.588 | S | S | * | * | trans | -132 | 61.1 | 170.8 | -74.7 | -70.8 | 0 | 0 | 0 | 113 | A676 | A676-F698 HydrophobicContact CB-CE1 4.33Š| ||
| 699 | R | 28.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 111 Ų | 111 | 28% | 0.275 | 56% | 0.561 | S | S | . | * | trans | -129.6 | 35.9 | 169 | -86 | -173.4 | 154.6 | -172 | -9.8 | 113.4 | ||||
| 700 | A | 30.1 | Very low | 31.5 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | trans | -96.1 | 116.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E672 I712 | E672-A700 HydrophobicContact CG-CB 4.36Å; A700-I712 HydrophobicContact CB-CD1 4.32Å | ||
| 701 | A | 28 | Very low | 32.3 | Very low | 41 Ų | 41 | 103.9 Ų | 103.9 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | S | Bend | trans | 167.2 | -74.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 702 | D | 31.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 94.4 Ų | 94.4 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -135.9 | 63.3 | -159.4 | 3.4 | -117.8 | 0 | 0 | 0 | 115.3 | R134 | R134-D702 IonicContact CZ-OD2 3.81Å; R134-D702 PolarHBondContact NH1-O 3.01Å; R134-D702 IonicContact NH1-OD2 3.61Å; R134-D702 PolarHBondContact NH1-OD2 3.29Å; R134-D702 IonicContact NH2-OD2 3.65Å |
| 703 | A | 28.2 | Very low | 35 | Very low | 17 Ų | 17 | 87 Ų | 87 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -159.6 | 125.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R134 E135 V138 R707 | R134-A703 HydrophobicContact CB-CB 4.45Å; R134-A703 HydrophobicContact CG-CB 4.25Å; E135-A703 HydrophobicContact CG-CB 4.16Å; V138-A703 HydrophobicContact CG2-CB 4.35Å; A703-R707 PolarHBondContact O-NH1 2.66Å |
| 704 | S | 28 | Very low | 37.3 | Very low | 40 Ų | 40 | 77.1 Ų | 77.1 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | trans | 56.4 | 118.9 | -178.3 | 71.9 | 0 | 0 | 0 | 0 | 119.3 | E135 L706 R707 | E135-S704 WeakPolarHBondContact OE1-CA 3.33Å; E135-S704 WeakPolarHBondContact OE1-CB 3.49Å; E135-S704 PolarHBondContact OE1-N 2.78Å; S704-L706 PolarHBondContact O-N 3.36Å; S704-R707 PolarHBondContact O-N 3.26Å; S704-R707 VanDerWaalsContact O-N 3.07Å | ||
| 705 | G | 30.9 | Very low | 39.9 | Very low | 88 Ų | 88 | 72.6 Ų | 72.6 | 91% | 0.907 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 13.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 706 | L | 30.5 | Very low | 42.4 | Very low | 91 Ų | 91 | 66.7 Ų | 66.7 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 7 | 172.8 | -66.4 | 175.2 | 0 | 0 | 0 | 112.5 | S704 L708 A949 R966 | S704-L706 PolarHBondContact O-N 3.36Å; L706-L708 PolarHBondContact O-N 3.06Å; L706-A949 HydrophobicContact CD2-CB 4.15Å; L706-R966 PolarHBondContact O-NH1 2.88Å; L706-R966 PolarHBondContact O-NH2 2.96Å; L706-R966 VanDerWaalsContact O-NH2 3.14Å |
| 707 | R | 31.2 | Very low | 45 | Very low | 74 Ų | 74 | 67 Ų | 67 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -61.1 | 133.5 | 159.8 | -91.3 | -158.3 | 165.7 | 95.8 | -1 | 109.9 | V138 A703 S704 R709 | V138-R707 VanDerWaalsContact CB-NH2 3.28Å; A703-R707 PolarHBondContact O-NH1 2.66Å; S704-R707 PolarHBondContact O-N 3.26Å; S704-R707 VanDerWaalsContact O-N 3.07Å; R707-R709 PolarHBondContact O-N 3Å; R707-R709 VanDerWaalsContact O-N 3.12Å |
| 708 | L | 33.2 | Very low | 47.7 | Very low | 57 Ų | 57 | 58.9 Ų | 58.9 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | trans | -64.3 | 109.8 | 170.6 | -155.7 | 69.7 | 0 | 0 | 0 | 107 | L706 S710 | L706-L708 PolarHBondContact O-N 3.06Å; L708-S710 PolarHBondContact O-N 3.01Å; L708-S710 PolarHBondContact O-OG 3.23Å | ||
| 709 | R | 37.4 | Very low | 50.1 | Low | 108 Ų | 108 | 52.6 Ų | 52.6 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | trans | -71.8 | 39.8 | 169.4 | -78.1 | -179.5 | 146.8 | -159.8 | -4.1 | 110.5 | Q668 R707 D711 W713 Y715 | Q668-R709 VanDerWaalsContact CD-NH2 3.33Å; R707-R709 PolarHBondContact O-N 3Å; R707-R709 VanDerWaalsContact O-N 3.12Å; R709-D711 PolarHBondContact O-N 3.4Å; R709-W713 PolarHBondContact O-NE1 2.98Å; R709-Y715 PolarHBondContact NH1-O 2.81Å | ||
| 710 | S | 39.1 | Very low | 52.9 | Low | 53 Ų | 53 | 52.8 Ų | 52.8 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -64.6 | -11.9 | -161.1 | 25.1 | 0 | 0 | 0 | 0 | 116.2 | L708 H826 | L708-S710 PolarHBondContact O-N 3.01Å; L708-S710 PolarHBondContact O-OG 3.23Å; S710-H826 PolarHBondContact O-NE2 3.03Å | ||
| 711 | D | 45.1 | Very low | 55.4 | Low | 97 Ų | 97 | 52 Ų | 52 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -137.4 | -18.2 | -165.8 | 52.3 | -30.4 | 0 | 0 | 0 | 114.2 | R709 | R709-D711 PolarHBondContact O-N 3.4Š|
| 712 | I | 53.1 | Low | 58 | Low | 20 Ų | 20 | 54 Ų | 54 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | trans | -131.4 | 92.2 | 178.5 | -50.2 | 176.3 | 0 | 0 | 0 | 111.6 | E672 A700 | E672-I712 HydrophobicContact CB-CD1 4.26Å; E672-I712 HydrophobicContact CG-CB 4.42Å; E672-I712 HydrophobicContact CG-CD1 3.98Å; E672-I712 HydrophobicContact CG-CG2 3.67Å; A700-I712 HydrophobicContact CB-CD1 4.32Å | ||
| 713 | W | 64.8 | Low | 60.5 | Low | 39 Ų | 39 | 55.5 Ų | 55.5 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | trans | -105.6 | 84.1 | 169.5 | -76.5 | 13.5 | 0 | 0 | 0 | 109.7 | L613 R709 H826 H829 H886 L887 | L613-W713 HydrophobicContact CB-CB 4.42Å; L613-W713 VanDerWaalsContact CB-O 3.22Å; L613-W713 WeakPolarHBondContact CB-O 3.4Å; L613-W713 HydrophobicContact CD1-CB 3.83Å; L613-W713 HydrophobicContact CD1-CE3 4.37Å; L613-W713 HydrophobicContact CD1-CG 4.37Å; R709-W713 PolarHBondContact O-NE1 2.98Å; W713-H826 AromaticContact CZ2-CD2 3.99Å; W713-H829 HydrophobicContact CH2-CB 4.41Å; W713-H886 HydrophobicContact CB-CB 4.31Å; W713-L887 HydrophobicContact CE3-CD2 3.94Å; W713-L887 HydrophobicContact CH2-CD2 3.98Å; W713-L887 HydrophobicContact CZ3-CD2 3.54Å | ||
| 714 | S | 80.6 | Confident | 63.1 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -80.5 | -50.3 | 173.6 | -37.7 | 0 | 0 | 0 | 0 | 111.5 | L613 F614 | L613-S714 PolarHBondContact N-O 3.27Å; F614-S714 WeakPolarHBondContact CD1-O 3.44Å | ||
| 715 | Y | 87.8 | Confident | 66 | Low | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.7 | -174.4 | -55.1 | -72.7 | 0 | 0 | 0 | 112.3 | R611 C612 F614 F633 W650 I665 P666 Q668 R709 | R611-Y715 WeakPolarHBondContact O-CA 3.36Å; C612-Y715 HydrophobicContact CB-CE1 4.47Å; F614-Y715 HydrophobicContact CE1-CD1 4.49Å; F614-Y715 AromaticContact CE1-CE1 3.84Å; F614-Y715 HydrophobicContact CE1-CE1 3.84Å; F614-Y715 HydrophobicContact CE1-CE2 4.09Å; F614-Y715 AromaticContact CE1-CZ 3.62Å; F614-Y715 HydrophobicContact CZ-CE1 4.41Å; F614-Y715 HydrophobicContact CZ-CE2 4.49Å; F614-Y715 AromaticContact CZ-CZ 3.91Å; F633-Y715 HydrophobicContact CE1-CE1 4.31Å; F633-Y715 HydrophobicContact CE2-CE1 4.45Å; F633-Y715 AromaticContact CZ-CE1 3.78Å; F633-Y715 HydrophobicContact CZ-CE1 3.78Å; W650-Y715 HydrophobicContact CE3-CD2 4.1Å; W650-Y715 HydrophobicContact CE3-CE2 4.17Å; W650-Y715 HydrophobicContact CH2-CD2 4.1Å; W650-Y715 AromaticContact CZ3-CD2 3.45Å; W650-Y715 HydrophobicContact CZ3-CD2 3.45Å; W650-Y715 VanDerWaalsContact CZ3-CD2 3.45Å; W650-Y715 AromaticContact CZ3-CE2 3.97Å; W650-Y715 HydrophobicContact CZ3-CE2 3.97Å; W650-Y715 AromaticContact CZ3-CG 3.91Å; W650-Y715 HydrophobicContact CZ3-CG 3.91Å; I665-Y715 HydrophobicContact CD1-CE1 3.86Å; P666-Y715 WeakPolarHBondContact O-CE2 3.43Å; P666-Y715 VanDerWaalsContact O-CZ 3.31Å; P666-Y715 PolarHBondContact O-OH 3.41Å; Q668-Y715 HydrophobicContact CB-CD2 4.31Å; R709-Y715 PolarHBondContact NH1-O 2.81Å |
| 716 | E | 85.7 | Confident | 69 | Low | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.5 | 174.3 | 171.9 | 175.4 | -114.7 | 0 | 0 | 110.1 | V610 R611 L613 V718 H829 P919 | V610-E716 CarbonylContact C-O 3.54Å; V610-E716 VanDerWaalsContact CA-O 3.29Å; V610-E716 WeakPolarHBondContact CA-O 3.29Å; R611-E716 HydrophobicContact CB-CB 4.42Å; R611-E716 IonicContact CZ-OE2 2.78Å; R611-E716 PolarHBondContact N-O 3.26Å; R611-E716 IonicContact NE-OE2 2.88Å; R611-E716 IonicContact NH1-OE2 3.07Å; R611-E716 PolarHBondContact NH1-OE2 3.15Å; R611-E716 PolarHBondContact O-N 3.03Å; R611-E716 VanDerWaalsContact O-N 3.09Å; L613-E716 HydrophobicContact CD1-CB 3.98Å; E716-V718 HydrophobicContact CG-CG1 4.08Å; E716-H829 IonicContact OE1-CE1 3.25Å; E716-H829 PolarHBondContact OE1-CE1 3.24Å; E716-H829 VanDerWaalsContact OE1-CE1 3.26Å; E716-H829 IonicContact OE1-NE2 3Å; E716-P919 HydrophobicContact CG-CB 4.26Å; E716-P919 HydrophobicContact CG-CG 4.44Å; E716-P919 VanDerWaalsContact OE1-CG 3.23Å; E716-P919 WeakPolarHBondContact OE1-CG 3.29Å |
| 717 | E | 87 | Confident | 72 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.7 | 174.3 | -171.3 | 172.2 | -155 | 0 | 0 | 110.2 | R608 Y609 P919 C920 | R608-E717 WeakPolarHBondContact CD-OE1 3.08Å; R608-E717 WeakPolarHBondContact CG-OE1 3.1Å; Y609-E717 WeakPolarHBondContact O-CA 3.46Å; E717-P919 CarbonylContact O-C 3.53Å; E717-P919 WeakPolarHBondContact O-CA 3.44Å; E717-C920 HydrophobicContact CB-CB 4.36Å; E717-C920 HydrophobicContact CG-CB 4.02Å; E717-C920 PolarHBondContact O-N 2.84Å |
| 718 | V | 86.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.4 | -171.7 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | Y609 R611 V638 E716 W917 I918 | Y609-V718 PolarHBondContact O-N 3.44Å; R611-V718 HydrophobicContact CB-CG1 3.78Å; R611-V718 HydrophobicContact CB-CG2 4.22Å; V638-V718 HydrophobicContact CG1-CG2 3.63Å; V638-V718 HydrophobicContact CG2-CG2 4.33Å; E716-V718 HydrophobicContact CG-CG1 4.08Å; V718-W917 HydrophobicContact CB-CB 4.36Å; V718-W917 HydrophobicContact CB-CE3 4.11Å; V718-W917 HydrophobicContact CG2-CB 4.47Å; V718-W917 HydrophobicContact CG2-CD2 4.32Å; V718-W917 HydrophobicContact CG2-CE3 3.64Å; V718-W917 HydrophobicContact CG2-CZ3 4.28Å; V718-I918 CarbonylContact C-O 3.59Å; V718-I918 WeakPolarHBondContact CA-O 3.39Å; V718-I918 VanDerWaalsContact CB-O 3.27Å; V718-I918 WeakPolarHBondContact CB-O 3.4Å |
| 719 | V | 84.7 | Confident | 78.2 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.8 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | W917 I918 C920 A923 | V719-W917 VanDerWaalsContact C-CE3 3.4Å; V719-W917 WeakPolarHBondContact O-CA 3.2Å; V719-I918 HydrophobicContact CG2-CD1 4.46Å; V719-I918 HydrophobicContact CG2-CG1 3.88Å; V719-I918 PolarHBondContact N-O 2.83Å; V719-I918 PolarHBondContact O-N 2.82Å; V719-I918 VanDerWaalsContact O-N 3.08Å; V719-C920 HydrophobicContact CG1-CB 4.16Å; V719-A923 HydrophobicContact CG2-CB 3.61Å |
| 720 | P | 86.9 | Confident | 81 | Confident | 77 Ų | 77 | 43 Ų | 43 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 134.9 | 174.6 | 30 | -34 | 0 | 0 | 0 | 109.8 | W917 | P720-W917 HydrophobicContact CB-CE3 4.43Å; P720-W917 HydrophobicContact CB-CH2 4.28Å; P720-W917 HydrophobicContact CB-CZ3 4.21Å; P720-W917 HydrophobicContact CG-CZ3 4.35Å |
| 721 | W | 84.4 | Confident | 83.7 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.1 | -178 | -166 | -107.4 | 0 | 0 | 0 | 110.5 | P915 C916 I918 A923 L926 | W721-P915 CarbonylContact O-C 3.56Å; W721-P915 VanDerWaalsContact O-CA 3.22Å; W721-P915 WeakPolarHBondContact O-CA 3.31Å; W721-P915 WeakPolarHBondContact O-CB 3.43Å; W721-C916 PolarHBondContact N-O 3.46Å; W721-C916 PolarHBondContact O-N 2.98Å; W721-I918 HydrophobicContact CB-CD1 4.22Å; W721-I918 HydrophobicContact CB-CG1 4.05Å; W721-I918 HydrophobicContact CB-CG2 3.9Å; W721-I918 HydrophobicContact CD2-CD1 3.49Å; W721-I918 VanDerWaalsContact CD2-CD1 3.49Å; W721-I918 HydrophobicContact CD2-CG1 4.29Å; W721-I918 HydrophobicContact CE3-CD1 3.35Å; W721-I918 HydrophobicContact CE3-CG1 4.21Å; W721-I918 HydrophobicContact CG-CD1 3.89Å; W721-I918 HydrophobicContact CG-CG1 4.25Å; W721-I918 HydrophobicContact CG-CG2 4Å; W721-I918 HydrophobicContact CZ3-CD1 3.92Å; W721-A923 HydrophobicContact CE3-CB 4.31Å; W721-A923 HydrophobicContact CZ3-CB 3.95Å; W721-L926 HydrophobicContact CH2-CB 3.7Å; W721-L926 HydrophobicContact CZ2-CB 3.5Å |
| 722 | P | 80.7 | Confident | 86.1 | Confident | 82 Ų | 82 | 35.8 Ų | 35.8 | 53% | 0.532 | 19% | 0.187 | S | C | . | . | trans | -59.7 | 158.1 | 174.3 | 25.7 | -35.9 | 0 | 0 | 0 | 112.4 | S724 | P722-S724 PolarHBondContact O-N 3.18Š| ||
| 723 | Q | 84.4 | Confident | 88 | Confident | 128 Ų | 128 | 35 Ų | 35 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -49 | 127.2 | 171.1 | 55.4 | -175 | -34.3 | 0 | 0 | 111.1 | ||
| 724 | S | 84.2 | Confident | 89.3 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | trans | -146.5 | 155.9 | -169.4 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | P722 E912 | P722-S724 PolarHBondContact O-N 3.18Å; S724-E912 WeakPolarHBondContact O-CA 3.38Å | ||
| 725 | K | 88.9 | Confident | 89.6 | Confident | 126 Ų | 126 | 35.3 Ų | 35.3 | 55% | 0.548 | 19% | 0.188 | S | C | . | . | trans | -59.6 | 149.4 | 168.1 | -75.2 | -167.9 | 168 | -174.3 | 0 | 111.3 | P727 G813 | K725-P727 WeakPolarHBondContact O-CD 3.24Å; K725-G813 PolarHBondContact NZ-O 3.01Å | ||
| 726 | V | 93.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -88.6 | 112.3 | 169.7 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | C728 T815 C836 V908 L911 E912 | V726-C728 WeakPolarHBondContact CG1-O 3.5Å; V726-T815 HydrophobicContact CG1-CG2 4.25Å; V726-T815 WeakPolarHBondContact O-CB 3.47Å; V726-T815 WeakPolarHBondContact O-CG2 3.44Å; V726-T815 PolarHBondContact O-OG1 2.8Å; V726-C836 HydrophobicContact CG1-CB 3.63Å; V726-V908 HydrophobicContact CB-CG1 4.12Å; V726-V908 HydrophobicContact CG2-CG1 4.14Å; V726-L911 HydrophobicContact CG2-CB 3.87Å; V726-L911 HydrophobicContact CG2-CD1 4.32Å; V726-E912 HydrophobicContact CG2-CG 4.16Å | ||
| 727 | P | 93.5 | Very high | 89.8 | Confident | 22 Ų | 22 | 36 Ų | 36 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | trans | -76.1 | -46.1 | -176.5 | -13.9 | 30.5 | 0 | 0 | 0 | 112.1 | K725 I810 T815 A816 F833 N834 | K725-P727 WeakPolarHBondContact O-CD 3.24Å; P727-I810 HydrophobicContact CB-CD1 3.81Å; P727-I810 HydrophobicContact CB-CG1 3.87Å; P727-I810 HydrophobicContact CB-CG2 4Å; P727-T815 CarbonylContact O-C 3.51Å; P727-T815 WeakPolarHBondContact O-CA 3.41Å; P727-A816 PolarHBondContact O-N 2.78Å; P727-F833 WeakPolarHBondContact CB-O 3.48Å; P727-N834 HydrophobicContact CG-CB 4.02Å | ||
| 728 | C | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.3 | 175.8 | -72.8 | 0 | 0 | 0 | 0 | 113 | V726 L730 A816 F833 P835 C836 | V726-C728 WeakPolarHBondContact CG1-O 3.5Å; C728-L730 HydrophobicContact CB-CD2 4.11Å; C728-A816 CarbonylContact C-O 3.57Å; C728-A816 WeakPolarHBondContact CA-O 3.49Å; C728-F833 HydrophobicContact CB-CB 4.42Å; C728-F833 VanDerWaalsContact CB-O 3.29Å; C728-F833 WeakPolarHBondContact CB-O 3.39Å; C728-F833 PolarHBondContact N-O 3.17Å; C728-F833 VanDerWaalsContact N-O 3.1Å; C728-P835 HydrophobicContact CB-CB 4.32Å; C728-C836 PolarHBondContact O-N 3.09Å |
| 729 | L | 97.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.5 | 167.8 | 176.1 | 67 | 0 | 0 | 0 | 108.4 | L731 L746 T815 A816 V817 L818 C836 V838 V908 | L729-L731 HydrophobicContact CG-CD2 4.27Å; L729-L746 HydrophobicContact CD2-CD2 3.59Å; L729-T815 HydrophobicContact CB-CG2 3.78Å; L729-A816 PolarHBondContact N-O 2.88Å; L729-V817 HydrophobicContact CB-CG1 4.47Å; L729-V817 HydrophobicContact CB-CG2 4.41Å; L729-V817 HydrophobicContact CD2-CG1 4.13Å; L729-V817 HydrophobicContact CD2-CG2 4.34Å; L729-V817 HydrophobicContact CG-CG1 4.37Å; L729-V817 WeakPolarHBondContact O-CA 3.34Å; L729-L818 PolarHBondContact O-N 3.09Å; L729-C836 CarbonylContact C-O 3.55Å; L729-C836 WeakPolarHBondContact CA-O 3.31Å; L729-C836 HydrophobicContact CD1-CB 4.25Å; L729-V838 HydrophobicContact CD1-CG2 3.79Å; L729-V908 HydrophobicContact CD1-CG2 4.17Å; L729-V908 HydrophobicContact CD2-CG2 4.06Å |
| 730 | L | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.7 | -176.2 | -51 | -172 | 0 | 0 | 0 | 110.5 | C728 L818 L825 L828 P835 C836 V837 V838 | C728-L730 HydrophobicContact CB-CD2 4.11Å; L730-L818 HydrophobicContact CD2-CB 3.86Å; L730-L818 HydrophobicContact CD2-CD1 3.85Å; L730-L818 HydrophobicContact CD2-CD2 4.22Å; L730-L818 HydrophobicContact CD2-CG 4.19Å; L730-L825 HydrophobicContact CD1-CD1 3.93Å; L730-L825 HydrophobicContact CD1-CG 3.96Å; L730-L828 HydrophobicContact CD1-CB 3.94Å; L730-L828 HydrophobicContact CD1-CD1 3.63Å; L730-L828 HydrophobicContact CD1-CG 4.45Å; L730-L828 HydrophobicContact CD2-CD1 3.84Å; L730-L828 HydrophobicContact CG-CD1 4.43Å; L730-P835 HydrophobicContact CD1-CB 3.52Å; L730-P835 HydrophobicContact CD1-CG 4.33Å; L730-P835 HydrophobicContact CG-CB 3.8Å; L730-C836 PolarHBondContact N-O 3.47Å; L730-V837 HydrophobicContact CB-CG1 4.49Å; L730-V837 HydrophobicContact CB-CG2 4.26Å; L730-V837 HydrophobicContact CD1-CG2 4.18Å; L730-V837 HydrophobicContact CG-CG2 4.5Å; L730-V838 PolarHBondContact O-N 3.02Å |
| 731 | L | 97.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 90.6 | -179.6 | -55.2 | -177 | 0 | 0 | 0 | 110.1 | L729 R739 L742 K743 V817 L818 V838 V840 L904 | L729-L731 HydrophobicContact CG-CD2 4.27Å; L731-R739 HydrophobicContact CB-CB 4.41Å; L731-R739 WeakPolarHBondContact O-CD 3.48Å; L731-R739 PolarHBondContact O-NH1 2.79Å; L731-L742 HydrophobicContact CD1-CB 3.97Å; L731-K743 HydrophobicContact CD1-CB 4.32Å; L731-V817 HydrophobicContact CD1-CG1 4.22Å; L731-V817 HydrophobicContact CG-CG1 4.44Å; L731-L818 WeakPolarHBondContact CB-O 3.28Å; L731-L818 PolarHBondContact N-O 3.47Å; L731-V838 HydrophobicContact CD2-CB 4.05Å; L731-V838 HydrophobicContact CD2-CG2 4.45Å; L731-V840 HydrophobicContact CB-CG2 4.18Å; L731-V840 HydrophobicContact CD2-CG2 4.41Å; L731-L904 HydrophobicContact CD1-CD1 4.26Å; L731-L904 HydrophobicContact CD2-CD1 4.11Å; L731-L904 HydrophobicContact CD2-CD2 3.88Å |
| 732 | I | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 174.9 | 174.5 | 66.5 | 169.5 | 0 | 0 | 0 | 111.3 | R739 L825 V837 V838 F839 V840 L887 Y888 | I732-R739 VanDerWaalsContact C-CD 3.44Å; I732-R739 WeakPolarHBondContact O-CD 3.39Å; I732-L825 HydrophobicContact CD1-CD2 4.08Å; I732-L825 HydrophobicContact CG2-CD1 3.62Å; I732-L825 HydrophobicContact CG2-CD2 3.96Å; I732-L825 HydrophobicContact CG2-CG 4.47Å; I732-V837 HydrophobicContact CD1-CG1 3.84Å; I732-V837 HydrophobicContact CG1-CG1 3.89Å; I732-V837 HydrophobicContact CG2-CG1 4.39Å; I732-V838 PolarHBondContact N-O 3.39Å; I732-F839 HydrophobicContact CD1-CD2 4.29Å; I732-F839 HydrophobicContact CG1-CB 4.34Å; I732-F839 HydrophobicContact CG1-CD2 4.14Å; I732-V840 PolarHBondContact O-N 3.41Å; I732-L887 HydrophobicContact CD1-CB 4.33Å; I732-Y888 HydrophobicContact CD1-CD1 4.11Å |
| 733 | G | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 127.5 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R739 | G733-R739 PolarHBondContact O-NE 3.18Å; G733-R739 VanDerWaalsContact O-NE 3.12Å |
| 734 | P | 91.9 | Very high | 92 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | trans | -63.4 | 174.2 | -179.3 | -17.9 | 29.1 | 0 | 0 | 0 | 112.8 | V737 R739 D876 M880 | P734-V737 HydrophobicContact CB-CG1 4.06Å; P734-V737 HydrophobicContact CG-CG1 4.15Å; P734-V737 WeakPolarHBondContact O-CG2 3.26Å; P734-R739 PolarHBondContact O-NE 2.76Å; P734-D876 HydrophobicContact CB-CB 4.27Å; P734-D876 HydrophobicContact CG-CB 4.39Å; P734-M880 HydrophobicContact CB-SD 4.01Å; P734-M880 HydrophobicContact CG-SD 3.85Å | ||
| 735 | N | 87.1 | Confident | 92.4 | Very high | 43 Ų | 43 | 18.4 Ų | 18.4 | 23% | 0.23 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -86.5 | 157.9 | 169.8 | -62.1 | -55.9 | 0 | 0 | 0 | 110.1 | V737 R739 I873 E975 | N735-V737 VanDerWaalsContact C-N 3.27Å; N735-V737 PolarHBondContact O-N 3.46Å; N735-V737 VanDerWaalsContact O-N 3.16Å; N735-R739 PolarHBondContact OD1-NH2 2.66Å; N735-I873 WeakPolarHBondContact O-CG2 3.44Å; N735-E975 WeakPolarHBondContact CB-OE1 3.3Å; N735-E975 PolarHBondContact ND2-OE1 3.2Å; N735-E975 PolarHBondContact ND2-OE2 2.77Å |
| 736 | G | 86 | Confident | 92.7 | Very high | 38 Ų | 38 | 12.4 Ų | 12.4 | 39% | 0.392 | 8% | 0.078 | S | C | . | . | S | Bend | trans | 80.9 | -29.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | G738 | G736-G738 PolarHBondContact O-N 3.28Š|
| 737 | V | 91.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 12.3 Ų | 12.3 | 7% | 0.067 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -65.2 | 8.2 | -178.9 | -51.8 | 0 | 0 | 0 | 0 | 115.9 | P734 N735 R739 V840 A842 I873 N894 | P734-V737 HydrophobicContact CB-CG1 4.06Å; P734-V737 HydrophobicContact CG-CG1 4.15Å; P734-V737 WeakPolarHBondContact O-CG2 3.26Å; N735-V737 VanDerWaalsContact C-N 3.27Å; N735-V737 PolarHBondContact O-N 3.46Å; N735-V737 VanDerWaalsContact O-N 3.16Å; V737-R739 HydrophobicContact CG2-CG 3.55Å; V737-V840 HydrophobicContact CB-CG1 4.36Å; V737-V840 HydrophobicContact CG2-CB 4.05Å; V737-V840 HydrophobicContact CG2-CG1 3.82Å; V737-V840 WeakPolarHBondContact CG2-O 3.21Å; V737-A842 HydrophobicContact CG1-CB 3.93Å; V737-I873 HydrophobicContact CG1-CG2 3.53Å; V737-N894 PolarHBondContact O-ND2 2.99Å |
| 738 | G | 90 | Very high | 92.8 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 14% | 0.144 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 90 | 5.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G736 R740 N741 L742 | G736-G738 PolarHBondContact O-N 3.28Å; G738-R740 VanDerWaalsContact C-N 3.26Å; G738-R740 PolarHBondContact O-N 3.3Å; G738-R740 VanDerWaalsContact O-N 3.1Å; G738-N741 WeakPolarHBondContact O-CA 3.44Å; G738-N741 PolarHBondContact O-N 3.05Å; G738-L742 PolarHBondContact O-N 3.49Å |
| 739 | R | 92.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 23 Ų | 23 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -44.4 | -46.9 | -178.4 | -51.6 | -170.7 | -66.4 | 107.6 | 0.1 | 113.4 | L731 I732 G733 P734 N735 V737 L742 K743 D819 C820 V840 | L731-R739 HydrophobicContact CB-CB 4.41Å; L731-R739 WeakPolarHBondContact O-CD 3.48Å; L731-R739 PolarHBondContact O-NH1 2.79Å; I732-R739 VanDerWaalsContact C-CD 3.44Å; I732-R739 WeakPolarHBondContact O-CD 3.39Å; G733-R739 PolarHBondContact O-NE 3.18Å; G733-R739 VanDerWaalsContact O-NE 3.12Å; P734-R739 PolarHBondContact O-NE 2.76Å; N735-R739 PolarHBondContact OD1-NH2 2.66Å; V737-R739 HydrophobicContact CG2-CG 3.55Å; R739-L742 PolarHBondContact O-N 3.38Å; R739-K743 PolarHBondContact O-N 3.24Å; R739-D819 HydrophobicContact CB-CB 4.08Å; R739-D819 PolarHBondContact NH1-O 3.48Å; R739-C820 PolarHBondContact NH1-O 3.43Å; R739-V840 HydrophobicContact CG-CB 3.92Å; R739-V840 HydrophobicContact CG-CG1 4.36Å; R739-V840 HydrophobicContact CG-CG2 4.08Å |
| 740 | R | 89.5 | Confident | 92.7 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.7 | -170.2 | -171.4 | -168.6 | 117.1 | 20.8 | 113.4 | G738 K743 V744 D819 R979 R982 P983 | G738-R740 VanDerWaalsContact C-N 3.26Å; G738-R740 PolarHBondContact O-N 3.3Å; G738-R740 VanDerWaalsContact O-N 3.1Å; R740-K743 WeakPolarHBondContact O-CB 3.29Å; R740-K743 PolarHBondContact O-N 3.17Å; R740-V744 WeakPolarHBondContact O-CG2 3.33Å; R740-V744 PolarHBondContact O-N 3.18Å; R740-D819 VanDerWaalsContact CA-OD2 3.27Å; R740-D819 WeakPolarHBondContact CA-OD2 3.2Å; R740-D819 WeakPolarHBondContact CB-OD2 3.22Å; R740-D819 WeakPolarHBondContact CG-OD2 3.01Å; R740-R979 PolarHBondContact NH1-O 2.96Å; R740-R982 PolarHBondContact NH1-O 3.06Å; R740-R982 VanDerWaalsContact NH1-O 3.14Å; R740-R982 PolarHBondContact NH2-O 2.66Å; R740-P983 VanDerWaalsContact CZ-O 3.23Å; R740-P983 PolarHBondContact NE-O 2.9Å; R740-P983 VanDerWaalsContact NH2-C 3.3Å; R740-P983 PolarHBondContact NH2-O 3.08Å |
| 741 | N | 89.1 | Confident | 92.7 | Very high | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.139 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.8 | -37.7 | -176.8 | -69 | 2.6 | 0 | 0 | 0 | 110.4 | G738 V744 L745 M897 S985 I986 | G738-N741 WeakPolarHBondContact O-CA 3.44Å; G738-N741 PolarHBondContact O-N 3.05Å; N741-V744 PolarHBondContact O-N 3.23Å; N741-L745 WeakPolarHBondContact O-CB 3.36Å; N741-L745 WeakPolarHBondContact O-CG 3.44Å; N741-L745 PolarHBondContact O-N 2.64Å; N741-M897 HydrophobicContact CB-CE 3.86Å; N741-M897 HydrophobicContact CB-SD 3.81Å; N741-S985 PolarHBondContact OD1-OG 2.76Å; N741-I986 WeakPolarHBondContact O-CD1 3.31Å |
| 742 | L | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 171.1 | -64.6 | 172.7 | 0 | 0 | 0 | 111.4 | L731 G738 R739 V744 L745 L746 V840 L892 M897 S900 V901 L904 | L731-L742 HydrophobicContact CD1-CB 3.97Å; G738-L742 PolarHBondContact O-N 3.49Å; R739-L742 PolarHBondContact O-N 3.38Å; L742-V744 PolarHBondContact O-N 2.88Å; L742-L745 PolarHBondContact O-N 3.25Å; L742-L746 VanDerWaalsContact O-CB 3.28Å; L742-L746 WeakPolarHBondContact O-CB 3.25Å; L742-L746 PolarHBondContact O-N 2.94Å; L742-V840 HydrophobicContact CD1-CG1 3.82Å; L742-V840 HydrophobicContact CD1-CG2 4.06Å; L742-L892 HydrophobicContact CD1-CD2 4.2Å; L742-M897 HydrophobicContact CD2-SD 3.58Å; L742-M897 VanDerWaalsContact CD2-SD 3.58Å; L742-M897 HydrophobicContact CG-SD 3.97Å; L742-S900 VanDerWaalsContact CD2-CB 3.47Å; L742-V901 HydrophobicContact CD2-CG2 3.86Å; L742-L904 HydrophobicContact CB-CD1 4.08Å; L742-L904 HydrophobicContact CD1-CD1 4.48Å |
| 743 | K | 94.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.2 | -49.6 | 175.7 | 177.2 | -178.9 | 78.6 | 174.1 | 0 | 112.2 | L731 R739 R740 A747 Y756 V817 D819 | L731-K743 HydrophobicContact CD1-CB 4.32Å; R739-K743 PolarHBondContact O-N 3.24Å; R740-K743 WeakPolarHBondContact O-CB 3.29Å; R740-K743 PolarHBondContact O-N 3.17Å; K743-A747 PolarHBondContact O-N 3.06Å; K743-Y756 HydrophobicContact CD-CG 4.26Å; K743-Y756 HydrophobicContact CG-CD1 4.17Å; K743-Y756 HydrophobicContact CG-CG 4.21Å; K743-V817 HydrophobicContact CB-CG1 4.13Å; K743-V817 WeakPolarHBondContact CD-O 3.33Å; K743-V817 HydrophobicContact CG-CB 4.12Å; K743-V817 HydrophobicContact CG-CG1 3.89Å; K743-D819 HydrophobicContact CD-CB 4.28Å; K743-D819 WeakPolarHBondContact CE-OD1 3.5Å; K743-D819 VanDerWaalsContact NZ-CG 3.31Å; K743-D819 IonicContact NZ-OD1 3.42Å; K743-D819 PolarHBondContact NZ-OD1 2.94Å; K743-D819 IonicContact NZ-OD2 2.73Å; K743-D819 PolarHBondContact NZ-OD2 3.42Å |
| 744 | V | 92 | Very high | 92.9 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.4 | -34.3 | -173.6 | -178 | 0 | 0 | 0 | 0 | 111.8 | R740 N741 L742 K748 Y756 P984 I986 | R740-V744 WeakPolarHBondContact O-CG2 3.33Å; R740-V744 PolarHBondContact O-N 3.18Å; N741-V744 PolarHBondContact O-N 3.23Å; L742-V744 PolarHBondContact O-N 2.88Å; V744-K748 VanDerWaalsContact O-CB 3.27Å; V744-K748 WeakPolarHBondContact O-CB 3.49Å; V744-K748 PolarHBondContact O-N 3.5Å; V744-Y756 HydrophobicContact CB-CE1 4.28Å; V744-Y756 HydrophobicContact CG1-CE1 4.18Å; V744-Y756 HydrophobicContact CG2-CD1 4.49Å; V744-Y756 HydrophobicContact CG2-CE1 3.99Å; V744-P984 HydrophobicContact CG1-CB 4.14Å; V744-P984 HydrophobicContact CG2-CB 3.98Å; V744-I986 HydrophobicContact CB-CD1 3.6Å; V744-I986 HydrophobicContact CB-CG1 4.01Å; V744-I986 HydrophobicContact CG1-CB 3.9Å; V744-I986 HydrophobicContact CG1-CD1 3.69Å; V744-I986 HydrophobicContact CG1-CG1 3.78Å |
| 745 | L | 93.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 173.1 | -78.1 | -175.8 | 0 | 0 | 0 | 112.5 | N741 L742 A747 K748 Y749 M897 V901 I986 | N741-L745 WeakPolarHBondContact O-CB 3.36Å; N741-L745 WeakPolarHBondContact O-CG 3.44Å; N741-L745 PolarHBondContact O-N 2.64Å; L742-L745 PolarHBondContact O-N 3.25Å; L745-A747 VanDerWaalsContact C-N 3.3Å; L745-A747 PolarHBondContact O-N 3.03Å; L745-K748 CarbonylContact O-C 3.5Å; L745-K748 WeakPolarHBondContact O-CA 3.41Å; L745-K748 PolarHBondContact O-N 3.44Å; L745-Y749 HydrophobicContact CB-CD2 4.5Å; L745-Y749 HydrophobicContact CB-CE2 4.22Å; L745-Y749 HydrophobicContact CD1-CE2 4.38Å; L745-Y749 HydrophobicContact CD2-CE1 4.28Å; L745-Y749 HydrophobicContact CD2-CE2 4.28Å; L745-Y749 PolarHBondContact O-N 3.2Å; L745-M897 HydrophobicContact CD1-CG 3.42Å; L745-M897 VanDerWaalsContact CD1-CG 3.42Å; L745-M897 HydrophobicContact CD1-SD 4.2Å; L745-V901 HydrophobicContact CB-CG1 4.39Å; L745-V901 HydrophobicContact CB-CG2 3.61Å; L745-V901 HydrophobicContact CD1-CG2 3.91Å; L745-V901 HydrophobicContact CG-CG2 4.42Å; L745-I986 HydrophobicContact CB-CD1 4.23Å; L745-I986 HydrophobicContact CD2-CD1 3.57Å; L745-I986 HydrophobicContact CD2-CG2 4.17Å; L745-I986 HydrophobicContact CG-CD1 3.46Å; L745-I986 VanDerWaalsContact CG-CD1 3.46Å |
| 746 | L | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | -179.7 | -175 | 62.4 | 0 | 0 | 0 | 111 | L729 L742 E750 F754 V817 V901 L904 | L729-L746 HydrophobicContact CD2-CD2 3.59Å; L742-L746 VanDerWaalsContact O-CB 3.28Å; L742-L746 WeakPolarHBondContact O-CB 3.25Å; L742-L746 PolarHBondContact O-N 2.94Å; L746-E750 PolarHBondContact O-N 3.5Å; L746-E750 VanDerWaalsContact O-N 3.08Å; L746-F754 HydrophobicContact CD1-CD2 3.73Å; L746-F754 HydrophobicContact CD1-CE2 3.67Å; L746-F754 HydrophobicContact CD1-CG 4.26Å; L746-F754 HydrophobicContact CD1-CZ 4.16Å; L746-F754 HydrophobicContact CD2-CD1 3.89Å; L746-F754 HydrophobicContact CD2-CD2 4.34Å; L746-F754 HydrophobicContact CD2-CE1 4.06Å; L746-F754 HydrophobicContact CD2-CE2 4.48Å; L746-F754 HydrophobicContact CD2-CG 4.05Å; L746-F754 HydrophobicContact CD2-CZ 4.35Å; L746-F754 HydrophobicContact CG-CB 4.18Å; L746-F754 HydrophobicContact CG-CD1 4.07Å; L746-F754 HydrophobicContact CG-CD2 3.67Å; L746-F754 HydrophobicContact CG-CE1 4.41Å; L746-F754 HydrophobicContact CG-CE2 4.04Å; L746-F754 HydrophobicContact CG-CG 3.69Å; L746-F754 HydrophobicContact CG-CZ 4.4Å; L746-V817 HydrophobicContact CD2-CG1 4.43Å; L746-V817 HydrophobicContact CD2-CG2 4.15Å; L746-V901 HydrophobicContact CB-CG1 4.03Å; L746-V901 HydrophobicContact CD1-CG1 3.88Å; L746-L904 HydrophobicContact CD2-CB 4.14Å; L746-L904 HydrophobicContact CD2-CD1 4.49Å |
| 747 | A | 94.7 | Very high | 93.9 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -29.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | K743 L745 P751 Y756 | K743-A747 PolarHBondContact O-N 3.06Å; L745-A747 VanDerWaalsContact C-N 3.3Å; L745-A747 PolarHBondContact O-N 3.03Å; A747-P751 VanDerWaalsContact O-CA 3.23Å; A747-P751 WeakPolarHBondContact O-CA 3.4Å; A747-P751 VanDerWaalsContact O-CB 3.32Å; A747-P751 WeakPolarHBondContact O-CB 3.3Å; A747-Y756 HydrophobicContact CB-CD1 3.72Å; A747-Y756 HydrophobicContact CB-CE1 3.86Å |
| 748 | K | 93.8 | Very high | 93.8 | Very high | 117 Ų | 117 | 44 Ų | 44 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74.9 | -36 | 177.1 | -175.6 | 172.9 | -179.1 | 173.9 | 0 | 112.8 | V744 L745 I986 | V744-K748 VanDerWaalsContact O-CB 3.27Å; V744-K748 WeakPolarHBondContact O-CB 3.49Å; V744-K748 PolarHBondContact O-N 3.5Å; L745-K748 CarbonylContact O-C 3.5Å; L745-K748 WeakPolarHBondContact O-CA 3.41Å; L745-K748 PolarHBondContact O-N 3.44Å; K748-I986 HydrophobicContact CD-CG2 3.74Å |
| 749 | Y | 94.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 44.2 Ų | 44.2 | 50% | 0.502 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -84.2 | -36.2 | -179.7 | -63.1 | -25.8 | 0 | 0 | 0 | 112.9 | L745 P751 V901 | L745-Y749 HydrophobicContact CB-CD2 4.5Å; L745-Y749 HydrophobicContact CB-CE2 4.22Å; L745-Y749 HydrophobicContact CD1-CE2 4.38Å; L745-Y749 HydrophobicContact CD2-CE1 4.28Å; L745-Y749 HydrophobicContact CD2-CE2 4.28Å; L745-Y749 PolarHBondContact O-N 3.2Å; Y749-P751 VanDerWaalsContact C-CD 3.41Å; Y749-V901 HydrophobicContact CD2-CG1 3.73Å; Y749-V901 HydrophobicContact CE2-CG1 4.2Å |
| 750 | E | 95.6 | Very high | 94 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | trans | -126.7 | 58.3 | 179.8 | -75.7 | -176.9 | 93.1 | 0 | 0 | 112.8 | L746 K752 R753 F754 S905 | L746-E750 PolarHBondContact O-N 3.5Å; L746-E750 VanDerWaalsContact O-N 3.08Å; E750-K752 PolarHBondContact O-N 3.23Å; E750-R753 HydrophobicContact CB-CB 4.45Å; E750-R753 PolarHBondContact O-N 2.83Å; E750-R753 VanDerWaalsContact OE1-CD 3.26Å; E750-R753 WeakPolarHBondContact OE1-CD 3.26Å; E750-R753 IonicContact OE1-CZ 3.74Å; E750-R753 IonicContact OE1-NE 3.91Å; E750-R753 IonicContact OE1-NH1 2.79Å; E750-R753 PolarHBondContact OE1-NH1 2.95Å; E750-R753 IonicContact OE2-NH1 3.78Å; E750-F754 HydrophobicContact CB-CD2 3.76Å; E750-F754 HydrophobicContact CB-CE2 4.17Å; E750-F754 PolarHBondContact O-N 2.84Å; E750-S905 WeakPolarHBondContact OE2-CB 3.29Å; E750-S905 PolarHBondContact OE2-OG 3.35Å | ||
| 751 | P | 96 | Very high | 94.3 | Very high | 69 Ų | 69 | 42 Ų | 42 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.5 | -173.8 | 24.7 | -35.3 | 0 | 0 | 0 | 115 | A747 Y749 R814 | A747-P751 VanDerWaalsContact O-CA 3.23Å; A747-P751 WeakPolarHBondContact O-CA 3.4Å; A747-P751 VanDerWaalsContact O-CB 3.32Å; A747-P751 WeakPolarHBondContact O-CB 3.3Å; Y749-P751 VanDerWaalsContact C-CD 3.41Å; P751-R814 WeakPolarHBondContact O-CD 3.44Å; P751-R814 PolarHBondContact O-NH1 3.29Å |
| 752 | K | 96.2 | Very high | 94.5 | Very high | 196 Ų | 196 | 41.7 Ų | 41.7 | 85% | 0.852 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.7 | 173 | -68.3 | -173.4 | 178 | -178.4 | 0 | 113.5 | E750 R814 | E750-K752 PolarHBondContact O-N 3.23Å; K752-R814 WeakPolarHBondContact O-CG 3.3Å |
| 753 | R | 96.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 25% | 0.249 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -40.6 | 179.3 | -69 | 179.1 | 70.5 | -157.1 | 6.8 | 112.6 | E750 R814 T815 S905 S909 E912 | E750-R753 HydrophobicContact CB-CB 4.45Å; E750-R753 PolarHBondContact O-N 2.83Å; E750-R753 VanDerWaalsContact OE1-CD 3.26Å; E750-R753 WeakPolarHBondContact OE1-CD 3.26Å; E750-R753 IonicContact OE1-CZ 3.74Å; E750-R753 IonicContact OE1-NE 3.91Å; E750-R753 IonicContact OE1-NH1 2.79Å; E750-R753 PolarHBondContact OE1-NH1 2.95Å; E750-R753 IonicContact OE2-NH1 3.78Å; R753-R814 CarbonylContact O-C 3.57Å; R753-R814 VanDerWaalsContact O-CA 3.26Å; R753-R814 WeakPolarHBondContact O-CA 3.22Å; R753-R814 VanDerWaalsContact O-CB 3.25Å; R753-R814 WeakPolarHBondContact O-CB 3.46Å; R753-T815 PolarHBondContact O-N 3.41Å; R753-S905 PolarHBondContact NH1-OG 3.07Å; R753-S909 PolarHBondContact NH1-OG 3.47Å; R753-S909 VanDerWaalsContact NH1-OG 3.11Å; R753-S909 PolarHBondContact NH2-OG 3.45Å; R753-E912 IonicContact CZ-OE2 3.82Å; R753-E912 IonicContact NH2-OE2 2.74Å; R753-E912 PolarHBondContact NH2-OE2 2.93Å |
| 754 | F | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.4 | -175 | -58.5 | -76 | 0 | 0 | 0 | 111.9 | L746 E750 T815 V817 V908 | L746-F754 HydrophobicContact CD1-CD2 3.73Å; L746-F754 HydrophobicContact CD1-CE2 3.67Å; L746-F754 HydrophobicContact CD1-CG 4.26Å; L746-F754 HydrophobicContact CD1-CZ 4.16Å; L746-F754 HydrophobicContact CD2-CD1 3.89Å; L746-F754 HydrophobicContact CD2-CD2 4.34Å; L746-F754 HydrophobicContact CD2-CE1 4.06Å; L746-F754 HydrophobicContact CD2-CE2 4.48Å; L746-F754 HydrophobicContact CD2-CG 4.05Å; L746-F754 HydrophobicContact CD2-CZ 4.35Å; L746-F754 HydrophobicContact CG-CB 4.18Å; L746-F754 HydrophobicContact CG-CD1 4.07Å; L746-F754 HydrophobicContact CG-CD2 3.67Å; L746-F754 HydrophobicContact CG-CE1 4.41Å; L746-F754 HydrophobicContact CG-CE2 4.04Å; L746-F754 HydrophobicContact CG-CG 3.69Å; L746-F754 HydrophobicContact CG-CZ 4.4Å; E750-F754 HydrophobicContact CB-CD2 3.76Å; E750-F754 HydrophobicContact CB-CE2 4.17Å; E750-F754 PolarHBondContact O-N 2.84Å; F754-T815 WeakPolarHBondContact CA-O 3.38Å; F754-T815 HydrophobicContact CD1-CG2 4.11Å; F754-T815 HydrophobicContact CE1-CG2 4.12Å; F754-V817 HydrophobicContact CB-CG2 3.99Å; F754-V817 HydrophobicContact CD1-CG2 3.72Å; F754-V817 HydrophobicContact CG-CG2 4.25Å; F754-V908 HydrophobicContact CE1-CB 4.22Å; F754-V908 HydrophobicContact CE1-CG1 4.04Å; F754-V908 HydrophobicContact CE1-CG2 4.06Å; F754-V908 HydrophobicContact CZ-CB 4.09Å; F754-V908 HydrophobicContact CZ-CG1 4.07Å; F754-V908 HydrophobicContact CZ-CG2 4.33Å |
| 755 | A | 96.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 163.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | I809 T815 A816 V817 | A755-I809 HydrophobicContact CB-CD1 4.16Å; A755-I809 HydrophobicContact CB-CG1 4.14Å; A755-I809 HydrophobicContact CB-CG2 3.94Å; A755-T815 PolarHBondContact N-O 3.2Å; A755-T815 VanDerWaalsContact N-O 3.13Å; A755-A816 CarbonylContact O-C 3.51Å; A755-A816 WeakPolarHBondContact O-CA 3.36Å; A755-V817 PolarHBondContact O-N 2.94Å |
| 756 | Y | 95 | Very high | 94.1 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | trans | -121.4 | 150.4 | 171.6 | 53.9 | -96.3 | 0 | 0 | 0 | 109.5 | K743 V744 A747 I809 V817 P984 | K743-Y756 HydrophobicContact CD-CG 4.26Å; K743-Y756 HydrophobicContact CG-CD1 4.17Å; K743-Y756 HydrophobicContact CG-CG 4.21Å; V744-Y756 HydrophobicContact CB-CE1 4.28Å; V744-Y756 HydrophobicContact CG1-CE1 4.18Å; V744-Y756 HydrophobicContact CG2-CD1 4.49Å; V744-Y756 HydrophobicContact CG2-CE1 3.99Å; A747-Y756 HydrophobicContact CB-CD1 3.72Å; A747-Y756 HydrophobicContact CB-CE1 3.86Å; Y756-I809 VanDerWaalsContact C-CD1 3.45Å; Y756-V817 VanDerWaalsContact CB-O 3.24Å; Y756-V817 WeakPolarHBondContact CB-O 3.31Å; Y756-P984 HydrophobicContact CE2-CG 4.28Å | ||
| 757 | P | 93 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 147.6 | 177.5 | 27.9 | -36.8 | 0 | 0 | 0 | 111.3 | I801 E805 L806 I809 L818 | P757-I801 HydrophobicContact CB-CG2 3.98Å; P757-I801 HydrophobicContact CG-CD1 4.34Å; P757-I801 HydrophobicContact CG-CG1 4.44Å; P757-I801 HydrophobicContact CG-CG2 3.57Å; P757-E805 HydrophobicContact CB-CB 4Å; P757-L806 HydrophobicContact CB-CD2 3.97Å; P757-L806 HydrophobicContact CG-CD2 3.69Å; P757-I809 HydrophobicContact CB-CD1 4.45Å; P757-L818 HydrophobicContact CG-CG 4.45Å |
| 758 | M | 90.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 60.5 Ų | 60.5 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.5 | 167.6 | -175.5 | 171.5 | -80.9 | 0 | 0 | 109.6 | K772 | M758-K772 HydrophobicContact CG-CB 4.22Å; M758-K772 HydrophobicContact SD-CB 3.83Å |
| 759 | T | 92.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125 | 174.3 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | F771 K772 Y799 G800 L980 | T759-F771 HydrophobicContact CG2-CD1 4.15Å; T759-F771 HydrophobicContact CG2-CE1 4.31Å; T759-F771 WeakPolarHBondContact O-CA 3.12Å; T759-K772 PolarHBondContact O-N 3.18Å; T759-Y799 HydrophobicContact CG2-CD1 4.17Å; T759-G800 WeakPolarHBondContact CA-O 2.96Å; T759-L980 HydrophobicContact CG2-CB 4.2Å |
| 760 | D | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 142.8 | 164.8 | -75.5 | -26.3 | 0 | 0 | 0 | 109.5 | K772 L774 M779 Y788 Y799 G800 R802 | D760-K772 CarbonylContact C-O 3.59Å; D760-K772 WeakPolarHBondContact CA-O 3.32Å; D760-K772 VanDerWaalsContact CG-NZ 3.34Å; D760-K772 WeakPolarHBondContact OD1-CB 3.38Å; D760-K772 VanDerWaalsContact OD1-CD 3.26Å; D760-K772 WeakPolarHBondContact OD1-CD 3.38Å; D760-K772 VanDerWaalsContact OD1-CG 3.26Å; D760-K772 WeakPolarHBondContact OD1-CG 3.45Å; D760-K772 IonicContact OD1-NZ 2.63Å; D760-K772 PolarHBondContact OD1-NZ 2.78Å; D760-K772 IonicContact OD2-NZ 3.38Å; D760-K772 PolarHBondContact OD2-NZ 2.85Å; D760-L774 HydrophobicContact CB-CD1 3.9Å; D760-M779 HydrophobicContact CB-CE 4.18Å; D760-M779 HydrophobicContact CB-SD 4.3Å; D760-Y788 HydrophobicContact CB-CE1 3.92Å; D760-Y788 WeakPolarHBondContact OD2-CE1 3.4Å; D760-Y788 PolarHBondContact OD2-OH 2.95Å; D760-Y788 VanDerWaalsContact OD2-OH 3.14Å; D760-Y799 CarbonylContact O-C 3.5Å; D760-Y799 VanDerWaalsContact O-CA 3.29Å; D760-Y799 WeakPolarHBondContact O-CA 3.19Å; D760-G800 PolarHBondContact N-O 3.4Å; D760-G800 PolarHBondContact O-N 3.36Å; D760-R802 IonicContact OD2-CZ 2.74Å; D760-R802 IonicContact OD2-NE 2.79Å; D760-R802 PolarHBondContact OD2-NE 3.34Å; D760-R802 IonicContact OD2-NH2 2.66Å; D760-R802 PolarHBondContact OD2-NH2 3.08Å |
| 761 | T | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 156.8 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 113.7 | D763 L766 F771 K772 V773 L774 M779 Y798 Y799 | T761-D763 HydrophobicContact CG2-CB 4.45Å; T761-D763 PolarHBondContact OG1-N 3.06Å; T761-L766 HydrophobicContact CG2-CD1 4.47Å; T761-F771 HydrophobicContact CG2-CB 3.85Å; T761-F771 HydrophobicContact CG2-CD1 4.29Å; T761-F771 HydrophobicContact CG2-CG 4.36Å; T761-K772 PolarHBondContact N-O 2.93Å; T761-V773 HydrophobicContact CG2-CG2 4.19Å; T761-V773 CarbonylContact O-C 3.56Å; T761-V773 WeakPolarHBondContact O-CA 3.45Å; T761-L774 PolarHBondContact O-N 2.81Å; T761-M779 VanDerWaalsContact C-SD 3.53Å; T761-Y798 CarbonylContact C-O 3.55Å; T761-Y798 WeakPolarHBondContact CA-O 2.98Å; T761-Y798 PolarHBondContact OG1-O 3.01Å; T761-Y799 VanDerWaalsContact OG1-CD1 3.29Å; T761-Y799 WeakPolarHBondContact OG1-CD1 3.44Å; T761-Y799 WeakPolarHBondContact OG1-CE1 3.2Å |
| 762 | T | 95.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -98.7 | 12 | 166.4 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | K776 M779 H797 Y798 | T762-K776 HydrophobicContact CG2-CB 4.38Å; T762-M779 HydrophobicContact CG2-CB 3.87Å; T762-M779 HydrophobicContact CG2-CG 3.85Å; T762-M779 HydrophobicContact CG2-SD 3.6Å; T762-H797 PolarHBondContact O-ND1 3.42Å; T762-H797 VanDerWaalsContact OG1-CA 3.29Å; T762-H797 WeakPolarHBondContact OG1-CA 3.27Å; T762-H797 WeakPolarHBondContact OG1-CB 3.35Å; T762-Y798 HydrophobicContact CG2-CD2 4.22Å; T762-Y798 PolarHBondContact N-O 3.36Å; T762-Y798 PolarHBondContact OG1-N 2.92Å |
| 763 | D | 93.7 | Very high | 92.2 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | trans | -91.1 | 106.8 | 173.7 | -167.4 | -26.3 | 0 | 0 | 0 | 110.4 | T761 T765 L766 H797 Y799 | T761-D763 HydrophobicContact CG2-CB 4.45Å; T761-D763 PolarHBondContact OG1-N 3.06Å; D763-T765 VanDerWaalsContact C-N 3.27Å; D763-T765 PolarHBondContact O-N 3.17Å; D763-T765 WeakPolarHBondContact OD1-CB 3.3Å; D763-T765 PolarHBondContact OD1-N 3.5Å; D763-T765 PolarHBondContact OD1-OG1 3.4Å; D763-L766 HydrophobicContact CB-CD1 3.96Å; D763-L766 HydrophobicContact CB-CG 4.1Å; D763-H797 WeakPolarHBondContact CA-ND1 3.43Å; D763-H797 HydrophobicContact CB-CB 4.01Å; D763-Y799 WeakPolarHBondContact CB-OH 3.31Å; D763-Y799 PolarHBondContact OD2-OH 3.01Å; D763-Y799 VanDerWaalsContact OD2-OH 3.11Å | ||
| 764 | S | 92.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 69% | 0.692 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.4 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 765 | T | 91 | Very high | 92.1 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 72% | 0.724 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.6 | 174.4 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | D763 | D763-T765 VanDerWaalsContact C-N 3.27Å; D763-T765 PolarHBondContact O-N 3.17Å; D763-T765 WeakPolarHBondContact OD1-CB 3.3Å; D763-T765 PolarHBondContact OD1-N 3.5Å; D763-T765 PolarHBondContact OD1-OG1 3.4Å |
| 766 | L | 87 | Confident | 92 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82.4 | 147.2 | -176.9 | -67.6 | -178.8 | 0 | 0 | 0 | 113.1 | T761 D763 T768 F771 Y799 | T761-L766 HydrophobicContact CG2-CD1 4.47Å; D763-L766 HydrophobicContact CB-CD1 3.96Å; D763-L766 HydrophobicContact CB-CG 4.1Å; L766-T768 PolarHBondContact O-N 2.97Å; L766-F771 HydrophobicContact CB-CB 4.48Å; L766-F771 HydrophobicContact CB-CD2 3.8Å; L766-F771 HydrophobicContact CB-CE2 4.24Å; L766-F771 HydrophobicContact CB-CG 4.19Å; L766-F771 HydrophobicContact CD1-CD1 4.09Å; L766-F771 HydrophobicContact CD1-CD2 4.05Å; L766-F771 HydrophobicContact CD1-CE1 3.97Å; L766-F771 HydrophobicContact CD1-CE2 3.93Å; L766-F771 HydrophobicContact CD1-CG 4.12Å; L766-F771 HydrophobicContact CD1-CZ 3.89Å; L766-F771 HydrophobicContact CD2-CE2 4.33Å; L766-F771 HydrophobicContact CG-CD2 4.43Å; L766-F771 HydrophobicContact CG-CE2 4.42Å; L766-Y799 HydrophobicContact CD1-CE1 3.63Å; L766-Y799 WeakPolarHBondContact CD1-OH 3.44Å |
| 767 | P | 88.4 | Confident | 92.1 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | trans | -76 | 129.1 | -172 | 31.9 | -37.2 | 0 | 0 | 0 | 112.4 | N769 L770 F771 | P767-N769 WeakPolarHBondContact CB-OD1 3.22Å; P767-N769 PolarHBondContact O-N 3.31Å; P767-L770 HydrophobicContact CG-CB 4.45Å; P767-L770 HydrophobicContact CG-CD1 4.07Å; P767-L770 HydrophobicContact CG-CG 4.48Å; P767-L770 PolarHBondContact O-N 2.83Å; P767-F771 PolarHBondContact O-N 2.78Å | ||
| 768 | T | 87.4 | Confident | 92.2 | Very high | 115 Ų | 115 | 59.5 Ų | 59.5 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -5.7 | -170.9 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | L766 F771 V773 | L766-T768 PolarHBondContact O-N 2.97Å; T768-F771 CarbonylContact C-O 3.59Å; T768-F771 WeakPolarHBondContact CA-O 3.29Å; T768-V773 HydrophobicContact CG2-CG2 4.24Å |
| 769 | N | 85.8 | Confident | 92.3 | Very high | 119 Ų | 119 | 56.5 Ų | 56.5 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14.7 | 171.3 | 67.7 | -25.9 | 0 | 0 | 0 | 113.3 | P767 | P767-N769 WeakPolarHBondContact CB-OD1 3.22Å; P767-N769 PolarHBondContact O-N 3.31Å |
| 770 | L | 84.3 | Confident | 92.2 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -25.4 | 178.3 | -63.3 | 177.3 | 0 | 0 | 0 | 112.7 | P767 P983 P984 | P767-L770 HydrophobicContact CG-CB 4.45Å; P767-L770 HydrophobicContact CG-CD1 4.07Å; P767-L770 HydrophobicContact CG-CG 4.48Å; P767-L770 PolarHBondContact O-N 2.83Å; L770-P983 HydrophobicContact CD1-CB 4.09Å; L770-P984 HydrophobicContact CD2-CG 4.27Å |
| 771 | F | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.8 | -176.8 | -62.2 | -91.7 | 0 | 0 | 0 | 111.5 | T759 T761 L766 P767 T768 Y799 A981 P983 | T759-F771 HydrophobicContact CG2-CD1 4.15Å; T759-F771 HydrophobicContact CG2-CE1 4.31Å; T759-F771 WeakPolarHBondContact O-CA 3.12Å; T761-F771 HydrophobicContact CG2-CB 3.85Å; T761-F771 HydrophobicContact CG2-CD1 4.29Å; T761-F771 HydrophobicContact CG2-CG 4.36Å; L766-F771 HydrophobicContact CB-CB 4.48Å; L766-F771 HydrophobicContact CB-CD2 3.8Å; L766-F771 HydrophobicContact CB-CE2 4.24Å; L766-F771 HydrophobicContact CB-CG 4.19Å; L766-F771 HydrophobicContact CD1-CD1 4.09Å; L766-F771 HydrophobicContact CD1-CD2 4.05Å; L766-F771 HydrophobicContact CD1-CE1 3.97Å; L766-F771 HydrophobicContact CD1-CE2 3.93Å; L766-F771 HydrophobicContact CD1-CG 4.12Å; L766-F771 HydrophobicContact CD1-CZ 3.89Å; L766-F771 HydrophobicContact CD2-CE2 4.33Å; L766-F771 HydrophobicContact CG-CD2 4.43Å; L766-F771 HydrophobicContact CG-CE2 4.42Å; P767-F771 PolarHBondContact O-N 2.78Å; T768-F771 CarbonylContact C-O 3.59Å; T768-F771 WeakPolarHBondContact CA-O 3.29Å; F771-Y799 HydrophobicContact CE1-CD1 4.5Å; F771-Y799 HydrophobicContact CE1-CE1 4.35Å; F771-A981 WeakPolarHBondContact CZ-O 3.23Å; F771-P983 HydrophobicContact CE2-CB 4.13Å; F771-P983 HydrophobicContact CZ-CB 4.34Å |
| 772 | K | 93.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 62.2 Ų | 62.2 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 99.5 | 172.1 | 173.7 | 164.5 | 153.4 | -69.2 | 0 | 109.3 | M758 T759 D760 T761 L774 | M758-K772 HydrophobicContact CG-CB 4.22Å; M758-K772 HydrophobicContact SD-CB 3.83Å; T759-K772 PolarHBondContact O-N 3.18Å; D760-K772 CarbonylContact C-O 3.59Å; D760-K772 WeakPolarHBondContact CA-O 3.32Å; D760-K772 VanDerWaalsContact CG-NZ 3.34Å; D760-K772 WeakPolarHBondContact OD1-CB 3.38Å; D760-K772 VanDerWaalsContact OD1-CD 3.26Å; D760-K772 WeakPolarHBondContact OD1-CD 3.38Å; D760-K772 VanDerWaalsContact OD1-CG 3.26Å; D760-K772 WeakPolarHBondContact OD1-CG 3.45Å; D760-K772 IonicContact OD1-NZ 2.63Å; D760-K772 PolarHBondContact OD1-NZ 2.78Å; D760-K772 IonicContact OD2-NZ 3.38Å; D760-K772 PolarHBondContact OD2-NZ 2.85Å; T761-K772 PolarHBondContact N-O 2.93Å; K772-L774 HydrophobicContact CG-CD2 4.43Å; K772-L774 HydrophobicContact CG-CG 4.5Å |
| 773 | V | 95.4 | Very high | 91 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.9 | 179.9 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | T761 T768 | T761-V773 HydrophobicContact CG2-CG2 4.19Å; T761-V773 CarbonylContact O-C 3.56Å; T761-V773 WeakPolarHBondContact O-CA 3.45Å; T768-V773 HydrophobicContact CG2-CG2 4.24Å |
| 774 | L | 95.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | trans | -136.7 | 163.1 | -179 | -64.1 | 174.9 | 0 | 0 | 0 | 110.5 | D760 T761 K772 M779 R802 | D760-L774 HydrophobicContact CB-CD1 3.9Å; T761-L774 PolarHBondContact O-N 2.81Å; K772-L774 HydrophobicContact CG-CD2 4.43Å; K772-L774 HydrophobicContact CG-CG 4.5Å; L774-M779 HydrophobicContact CB-CG 3.97Å; L774-M779 HydrophobicContact CD1-CG 3.79Å; L774-M779 HydrophobicContact CD1-SD 4.41Å; L774-R802 VanDerWaalsContact CD1-NH2 3.26Å | ||
| 775 | S | 96.2 | Very high | 89.8 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -70.8 | 154 | 168.4 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | D777 Q778 M779 | S775-D777 VanDerWaalsContact C-N 3.33Å; S775-D777 PolarHBondContact O-N 3.29Å; S775-Q778 PolarHBondContact O-N 3.25Å; S775-Q778 VanDerWaalsContact OG-CB 3.28Å; S775-Q778 WeakPolarHBondContact OG-CB 3.14Å; S775-Q778 PolarHBondContact OG-N 3.26Å; S775-M779 PolarHBondContact O-N 2.83Å; S775-M779 VanDerWaalsContact O-N 3.09Å | ||
| 776 | K | 95.1 | Very high | 89 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 175.7 | 179.1 | -179.7 | 169 | -72.1 | 0 | 111.5 | T762 Q778 M779 E780 Y798 | T762-K776 HydrophobicContact CG2-CB 4.38Å; K776-Q778 VanDerWaalsContact C-N 3.28Å; K776-Q778 PolarHBondContact O-N 3.36Å; K776-M779 PolarHBondContact O-N 3.3Å; K776-M779 VanDerWaalsContact O-N 3.12Å; K776-E780 WeakPolarHBondContact CE-OE1 3.35Å; K776-E780 HydrophobicContact CG-CG 4.43Å; K776-E780 IonicContact NZ-OE1 3.98Å; K776-E780 PolarHBondContact NZ-OE1 3.43Å; K776-E780 IonicContact NZ-OE2 2.66Å; K776-E780 PolarHBondContact NZ-OE2 3.17Å; K776-E780 PolarHBondContact O-N 3.49Å; K776-Y798 HydrophobicContact CG-CD2 4.49Å; K776-Y798 HydrophobicContact CG-CE2 4.27Å |
| 777 | D | 95.6 | Very high | 88.9 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.6 | -34.4 | -176.6 | -36.8 | -47.5 | 0 | 0 | 0 | 111.6 | S775 S781 | S775-D777 VanDerWaalsContact C-N 3.33Å; S775-D777 PolarHBondContact O-N 3.29Å; D777-S781 VanDerWaalsContact O-CB 3.3Å; D777-S781 WeakPolarHBondContact O-CB 3.48Å; D777-S781 PolarHBondContact O-N 3.31Å |
| 778 | Q | 95.6 | Very high | 88.8 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 173.3 | -172.1 | 65.9 | 60.5 | 0 | 0 | 111.6 | S775 K776 S781 D782 | S775-Q778 PolarHBondContact O-N 3.25Å; S775-Q778 VanDerWaalsContact OG-CB 3.28Å; S775-Q778 WeakPolarHBondContact OG-CB 3.14Å; S775-Q778 PolarHBondContact OG-N 3.26Å; K776-Q778 VanDerWaalsContact C-N 3.28Å; K776-Q778 PolarHBondContact O-N 3.36Å; Q778-S781 PolarHBondContact O-N 2.97Å; Q778-D782 PolarHBondContact NE2-OD1 2.59Å; Q778-D782 VanDerWaalsContact O-CB 3.26Å; Q778-D782 WeakPolarHBondContact O-CB 3.46Å; Q778-D782 PolarHBondContact O-N 2.78Å |
| 779 | M | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 176 | -78.8 | -159.1 | 69.1 | 0 | 0 | 112.5 | D760 T761 T762 L774 S775 K776 D782 V783 Y788 | D760-M779 HydrophobicContact CB-CE 4.18Å; D760-M779 HydrophobicContact CB-SD 4.3Å; T761-M779 VanDerWaalsContact C-SD 3.53Å; T762-M779 HydrophobicContact CG2-CB 3.87Å; T762-M779 HydrophobicContact CG2-CG 3.85Å; T762-M779 HydrophobicContact CG2-SD 3.6Å; L774-M779 HydrophobicContact CB-CG 3.97Å; L774-M779 HydrophobicContact CD1-CG 3.79Å; L774-M779 HydrophobicContact CD1-SD 4.41Å; S775-M779 PolarHBondContact O-N 2.83Å; S775-M779 VanDerWaalsContact O-N 3.09Å; K776-M779 PolarHBondContact O-N 3.3Å; K776-M779 VanDerWaalsContact O-N 3.12Å; M779-D782 PolarHBondContact O-N 3.15Å; M779-V783 WeakPolarHBondContact O-CB 3.26Å; M779-V783 VanDerWaalsContact O-CG2 3.26Å; M779-V783 WeakPolarHBondContact O-CG2 3.31Å; M779-V783 PolarHBondContact O-N 3.3Å; M779-Y788 HydrophobicContact CE-CE1 4.25Å; M779-Y788 HydrophobicContact CE-CE2 4.15Å |
| 780 | E | 90.7 | Very high | 88.6 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.2 | -72 | 176 | 169.8 | 0 | 0 | 111.7 | K776 K784 Y798 | K776-E780 WeakPolarHBondContact CE-OE1 3.35Å; K776-E780 HydrophobicContact CG-CG 4.43Å; K776-E780 IonicContact NZ-OE1 3.98Å; K776-E780 PolarHBondContact NZ-OE1 3.43Å; K776-E780 IonicContact NZ-OE2 2.66Å; K776-E780 PolarHBondContact NZ-OE2 3.17Å; K776-E780 PolarHBondContact O-N 3.49Å; E780-K784 WeakPolarHBondContact O-CG 3.41Å; E780-K784 PolarHBondContact O-N 3.07Å; E780-Y798 HydrophobicContact CG-CE2 4.21Å; E780-Y798 WeakPolarHBondContact OE1-CE2 3.36Å; E780-Y798 PolarHBondContact OE1-OH 3.09Å; E780-Y798 VanDerWaalsContact OE1-OH 3.08Å |
| 781 | S | 91 | Very high | 88.8 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.7 | -41.6 | 171.8 | -169.6 | 0 | 0 | 0 | 0 | 113.2 | D777 Q778 V783 K784 S785 | D777-S781 VanDerWaalsContact O-CB 3.3Å; D777-S781 WeakPolarHBondContact O-CB 3.48Å; D777-S781 PolarHBondContact O-N 3.31Å; Q778-S781 PolarHBondContact O-N 2.97Å; S781-V783 VanDerWaalsContact C-N 3.31Å; S781-V783 PolarHBondContact O-N 3.01Å; S781-K784 PolarHBondContact O-N 2.77Å; S781-S785 WeakPolarHBondContact O-CB 3.44Å; S781-S785 PolarHBondContact O-N 2.89Å; S781-S785 PolarHBondContact O-OG 3.16Å |
| 782 | D | 87.2 | Confident | 88.6 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 175.9 | -72.8 | -6.2 | 0 | 0 | 0 | 111.5 | Q778 M779 S785 G786 A787 Y788 R802 | Q778-D782 PolarHBondContact NE2-OD1 2.59Å; Q778-D782 VanDerWaalsContact O-CB 3.26Å; Q778-D782 WeakPolarHBondContact O-CB 3.46Å; Q778-D782 PolarHBondContact O-N 2.78Å; M779-D782 PolarHBondContact O-N 3.15Å; D782-S785 WeakPolarHBondContact CA-OG 3.48Å; D782-S785 PolarHBondContact O-OG 3.47Å; D782-G786 PolarHBondContact O-N 2.94Å; D782-A787 HydrophobicContact CB-CB 4.1Å; D782-A787 VanDerWaalsContact O-CB 3.28Å; D782-A787 WeakPolarHBondContact O-CB 3.37Å; D782-A787 PolarHBondContact O-N 2.75Å; D782-Y788 HydrophobicContact CB-CD2 4.33Å; D782-Y788 HydrophobicContact CB-CE2 3.47Å; D782-Y788 VanDerWaalsContact CB-CE2 3.47Å; D782-R802 IonicContact OD1-NH1 3.09Å; D782-R802 IonicContact OD2-CZ 3.17Å; D782-R802 IonicContact OD2-NH1 3.82Å; D782-R802 PolarHBondContact OD2-NH1 3.28Å; D782-R802 IonicContact OD2-NH2 2.75Å; D782-R802 PolarHBondContact OD2-NH2 3.35Å |
| 783 | V | 81 | Confident | 88.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -49 | 171 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | M779 S781 S785 G786 Y788 W791 S967 | M779-V783 WeakPolarHBondContact O-CB 3.26Å; M779-V783 VanDerWaalsContact O-CG2 3.26Å; M779-V783 WeakPolarHBondContact O-CG2 3.31Å; M779-V783 PolarHBondContact O-N 3.3Å; S781-V783 VanDerWaalsContact C-N 3.31Å; S781-V783 PolarHBondContact O-N 3.01Å; V783-S785 PolarHBondContact O-N 3.09Å; V783-G786 PolarHBondContact O-N 3.2Å; V783-Y788 HydrophobicContact CG2-CD2 3.64Å; V783-Y788 HydrophobicContact CG2-CE2 3.94Å; V783-W791 HydrophobicContact CB-CD2 4.48Å; V783-W791 HydrophobicContact CG1-CD2 4.02Å; V783-W791 VanDerWaalsContact CG1-CE2 3.45Å; V783-W791 HydrophobicContact CG1-CH2 4.17Å; V783-W791 HydrophobicContact CG1-CZ2 3.54Å; V783-W791 HydrophobicContact CG2-CB 4.22Å; V783-W791 HydrophobicContact CG2-CD2 3.56Å; V783-W791 HydrophobicContact CG2-CE3 4.05Å; V783-W791 HydrophobicContact CG2-CG 3.61Å; V783-S967 PolarHBondContact O-OG 3.25Å |
| 784 | K | 81 | Confident | 87.9 | Confident | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.548 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -34 | 176.7 | -81.5 | -168.6 | 165.5 | -141.6 | 0 | 112.6 | E151 E780 S781 L964 | E151-K784 IonicContact OE1-NZ 3.26Å; E151-K784 PolarHBondContact OE1-NZ 3.39Å; E151-K784 IonicContact OE2-NZ 3.99Å; E151-K784 PolarHBondContact OE2-NZ 3.4Å; E780-K784 WeakPolarHBondContact O-CG 3.41Å; E780-K784 PolarHBondContact O-N 3.07Å; S781-K784 PolarHBondContact O-N 2.77Å; K784-L964 VanDerWaalsContact O-CD2 3.29Å; K784-L964 WeakPolarHBondContact O-CD2 3.45Å |
| 785 | S | 78.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 115 | S781 D782 V783 H953 | S781-S785 WeakPolarHBondContact O-CB 3.44Å; S781-S785 PolarHBondContact O-N 2.89Å; S781-S785 PolarHBondContact O-OG 3.16Å; D782-S785 WeakPolarHBondContact CA-OG 3.48Å; D782-S785 PolarHBondContact O-OG 3.47Å; V783-S785 PolarHBondContact O-N 3.09Å; S785-H953 WeakPolarHBondContact O-CB 3.44Å; S785-H953 PolarHBondContact O-CD2 3.49Å; S785-H953 PolarHBondContact O-ND1 3.33Å |
| 786 | G | 75.6 | Confident | 87.2 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 30.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D782 V783 Y788 F803 S967 | D782-G786 PolarHBondContact O-N 2.94Å; V783-G786 PolarHBondContact O-N 3.2Å; G786-Y788 PolarHBondContact O-N 3.14Å; G786-F803 WeakPolarHBondContact O-CE2 3.37Å; G786-S967 WeakPolarHBondContact CA-OG 3.21Å |
| 787 | A | 84.1 | Confident | 87.1 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | trans | -72.9 | -9.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D782 R802 F803 | D782-A787 HydrophobicContact CB-CB 4.1Å; D782-A787 VanDerWaalsContact O-CB 3.28Å; D782-A787 WeakPolarHBondContact O-CB 3.37Å; D782-A787 PolarHBondContact O-N 2.75Å; A787-R802 HydrophobicContact CB-CG 4.33Å; A787-R802 WeakPolarHBondContact O-CA 3.49Å; A787-R802 VanDerWaalsContact O-CG 3.24Å; A787-R802 WeakPolarHBondContact O-CG 3.46Å; A787-F803 WeakPolarHBondContact O-CD2 3.02Å; A787-F803 PolarHBondContact O-N 3.31Å | ||
| 788 | Y | 86 | Confident | 86.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.2 | -171.6 | -67.9 | -69.1 | 0 | 0 | 0 | 114 | D760 M779 D782 V783 G786 W791 I801 R802 F803 | D760-Y788 HydrophobicContact CB-CE1 3.92Å; D760-Y788 WeakPolarHBondContact OD2-CE1 3.4Å; D760-Y788 PolarHBondContact OD2-OH 2.95Å; D760-Y788 VanDerWaalsContact OD2-OH 3.14Å; M779-Y788 HydrophobicContact CE-CE1 4.25Å; M779-Y788 HydrophobicContact CE-CE2 4.15Å; D782-Y788 HydrophobicContact CB-CD2 4.33Å; D782-Y788 HydrophobicContact CB-CE2 3.47Å; D782-Y788 VanDerWaalsContact CB-CE2 3.47Å; V783-Y788 HydrophobicContact CG2-CD2 3.64Å; V783-Y788 HydrophobicContact CG2-CE2 3.94Å; G786-Y788 PolarHBondContact O-N 3.14Å; Y788-W791 HydrophobicContact CD2-CB 4.25Å; Y788-W791 HydrophobicContact CG-CB 4.04Å; Y788-I801 WeakPolarHBondContact CA-O 3.36Å; Y788-R802 HydrophobicContact CD1-CB 4.21Å; Y788-R802 HydrophobicContact CE1-CB 4.05Å; Y788-R802 HydrophobicContact CE1-CG 4.5Å; Y788-R802 PolarHBondContact OH-NH2 3.27Å; Y788-R802 VanDerWaalsContact OH-NH2 3.08Å; Y788-F803 VanDerWaalsContact C-CE2 3.48Å; Y788-F803 VanDerWaalsContact O-CE2 3.3Å; Y788-F803 WeakPolarHBondContact O-CE2 3.18Å |
| 789 | V | 84.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -39.7 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | I801 F803 L806 L818 L828 | V789-I801 HydrophobicContact CB-CG2 4.32Å; V789-I801 HydrophobicContact CG2-CG2 4.38Å; V789-I801 PolarHBondContact N-O 2.99Å; V789-F803 HydrophobicContact CB-CE1 4.47Å; V789-F803 HydrophobicContact CG2-CD1 3.48Å; V789-F803 VanDerWaalsContact CG2-CD1 3.48Å; V789-F803 HydrophobicContact CG2-CD2 4.19Å; V789-F803 HydrophobicContact CG2-CE1 3.6Å; V789-F803 HydrophobicContact CG2-CE2 4.27Å; V789-F803 HydrophobicContact CG2-CG 3.79Å; V789-F803 HydrophobicContact CG2-CZ 3.99Å; V789-L806 HydrophobicContact CG2-CD1 3.89Å; V789-L818 HydrophobicContact CG1-CD2 4.48Å; V789-L828 HydrophobicContact CG1-CD1 3.76Å; V789-L828 HydrophobicContact CG1-CD2 3.8Å; V789-L828 HydrophobicContact CG1-CG 3.81Å; V789-L828 HydrophobicContact CG2-CD2 4.18Å |
| 790 | E | 85.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.6 | 174.2 | -67.8 | -176 | 132.4 | 0 | 0 | 105.9 | G800 I801 C820 Q821 S824 A972 R979 L980 | E790-G800 CarbonylContact O-C 3.56Å; E790-G800 WeakPolarHBondContact O-CA 3.36Å; E790-I801 PolarHBondContact O-N 2.98Å; E790-C820 HydrophobicContact CG-CB 4.46Å; E790-C820 WeakPolarHBondContact OE1-CA 3.43Å; E790-C820 WeakPolarHBondContact OE1-CB 3.48Å; E790-Q821 PolarHBondContact OE1-N 3.13Å; E790-S824 WeakPolarHBondContact CG-OG 3.42Å; E790-S824 PolarHBondContact OE1-OG 3.16Å; E790-A972 HydrophobicContact CB-CB 4.28Å; E790-R979 IonicContact OE1-CZ 3.37Å; E790-R979 IonicContact OE1-NH2 2.8Å; E790-R979 PolarHBondContact OE1-NH2 3.1Å; E790-R979 IonicContact OE2-CZ 2.77Å; E790-R979 IonicContact OE2-NH1 2.71Å; E790-R979 PolarHBondContact OE2-NH1 2.99Å; E790-R979 IonicContact OE2-NH2 2.6Å; E790-R979 PolarHBondContact OE2-NH2 3.32Å; E790-L980 HydrophobicContact CB-CD1 4.23Å |
| 791 | W | 87.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.1 | 164.3 | 66 | -86.5 | 0 | 0 | 0 | 110.2 | V783 Y788 Y798 Y799 S970 E971 A972 | V783-W791 HydrophobicContact CB-CD2 4.48Å; V783-W791 HydrophobicContact CG1-CD2 4.02Å; V783-W791 VanDerWaalsContact CG1-CE2 3.45Å; V783-W791 HydrophobicContact CG1-CH2 4.17Å; V783-W791 HydrophobicContact CG1-CZ2 3.54Å; V783-W791 HydrophobicContact CG2-CB 4.22Å; V783-W791 HydrophobicContact CG2-CD2 3.56Å; V783-W791 HydrophobicContact CG2-CE3 4.05Å; V783-W791 HydrophobicContact CG2-CG 3.61Å; Y788-W791 HydrophobicContact CD2-CB 4.25Å; Y788-W791 HydrophobicContact CG-CB 4.04Å; W791-Y798 HydrophobicContact CE3-CD1 4.05Å; W791-Y798 HydrophobicContact CE3-CE1 4.29Å; W791-Y798 HydrophobicContact CZ3-CD1 4.18Å; W791-Y798 AromaticContact CZ3-CE1 3.96Å; W791-Y798 HydrophobicContact CZ3-CE1 3.96Å; W791-Y799 CarbonylContact C-O 3.5Å; W791-Y799 WeakPolarHBondContact CA-O 3.43Å; W791-S970 VanDerWaalsContact CD1-OG 3.28Å; W791-S970 PolarHBondContact N-O 3.19Å; W791-S970 PolarHBondContact NE1-O 3.04Å; W791-S970 PolarHBondContact NE1-OG 3.13Å; W791-E971 HydrophobicContact CE3-CG 4.42Å; W791-E971 HydrophobicContact CH2-CB 3.68Å; W791-E971 HydrophobicContact CH2-CG 3.72Å; W791-E971 HydrophobicContact CZ2-CB 3.61Å; W791-E971 HydrophobicContact CZ2-CG 4.16Å; W791-E971 HydrophobicContact CZ3-CB 4.25Å; W791-E971 HydrophobicContact CZ3-CG 3.86Å; W791-E971 CarbonylContact O-C 3.57Å; W791-E971 WeakPolarHBondContact O-CA 3.49Å; W791-A972 WeakPolarHBondContact O-CB 3.49Å; W791-A972 PolarHBondContact O-N 2.87Å |
| 792 | G | 86.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 175.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y798 Y799 | G792-Y798 CarbonylContact O-C 3.54Å; G792-Y798 WeakPolarHBondContact O-CA 3.39Å; G792-Y799 PolarHBondContact N-O 3.46Å; G792-Y799 PolarHBondContact O-N 3.16Å |
| 793 | K | 88.5 | Confident | 86.7 | Confident | 84 Ų | 84 | 33 Ų | 33 | 37% | 0.365 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134 | -171.2 | -158.3 | 169.9 | -171.4 | 164.8 | 0 | 112.2 | G796 H797 Y798 | K793-G796 WeakPolarHBondContact CE-O 3.33Å; K793-H797 CarbonylContact C-O 3.58Å; K793-H797 WeakPolarHBondContact CA-O 3.19Å; K793-H797 WeakPolarHBondContact CG-O 3.32Å; K793-Y798 HydrophobicContact CD-CE1 4.1Å; K793-Y798 HydrophobicContact CD-CE2 4.11Å; K793-Y798 HydrophobicContact CG-CE1 4.47Å; K793-Y798 PolarHBondContact NZ-OH 3.15Å |
| 794 | V | 87.2 | Confident | 87.1 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.4 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | G796 H797 Y799 A977 A981 | V794-G796 PolarHBondContact O-N 3.39Å; V794-H797 PolarHBondContact N-O 3.08Å; V794-H797 PolarHBondContact O-N 2.97Å; V794-Y799 HydrophobicContact CB-CD2 4.17Å; V794-Y799 HydrophobicContact CB-CE2 3.94Å; V794-Y799 HydrophobicContact CG2-CD2 4.17Å; V794-Y799 HydrophobicContact CG2-CE2 4.39Å; V794-A977 HydrophobicContact CG2-CB 3.59Å; V794-A977 WeakPolarHBondContact CG2-O 3.49Å; V794-A981 HydrophobicContact CB-CB 4.12Å; V794-A981 HydrophobicContact CG1-CB 4.32Å; V794-A981 HydrophobicContact CG2-CB 3.89Å |
| 795 | N | 89 | Confident | 87.6 | Confident | 155 Ų | 155 | 30.2 Ų | 30.2 | 83% | 0.829 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 31.3 | 178.3 | -59 | -8.9 | 0 | 0 | 0 | 114.2 | H797 | N795-H797 PolarHBondContact O-CD2 3.32Š|
| 796 | G | 88.1 | Confident | 88.3 | Confident | 49 Ų | 49 | 28.6 Ų | 28.6 | 51% | 0.505 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -20.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K793 V794 | K793-G796 WeakPolarHBondContact CE-O 3.33Å; V794-G796 PolarHBondContact O-N 3.39Å |
| 797 | H | 92.5 | Very high | 89 | Confident | 60 Ų | 60 | 29.6 Ų | 29.6 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 146.4 | -179.2 | -57.4 | -93.9 | 0 | 0 | 0 | 112 | T762 D763 K793 V794 N795 Y799 | T762-H797 PolarHBondContact O-ND1 3.42Å; T762-H797 VanDerWaalsContact OG1-CA 3.29Å; T762-H797 WeakPolarHBondContact OG1-CA 3.27Å; T762-H797 WeakPolarHBondContact OG1-CB 3.35Å; D763-H797 WeakPolarHBondContact CA-ND1 3.43Å; D763-H797 HydrophobicContact CB-CB 4.01Å; K793-H797 CarbonylContact C-O 3.58Å; K793-H797 WeakPolarHBondContact CA-O 3.19Å; K793-H797 WeakPolarHBondContact CG-O 3.32Å; V794-H797 PolarHBondContact N-O 3.08Å; V794-H797 PolarHBondContact O-N 2.97Å; N795-H797 PolarHBondContact O-CD2 3.32Å; H797-Y799 HydrophobicContact CB-CE2 3.88Å |
| 798 | Y | 91.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 153 | 173.9 | -66.7 | -97.6 | 0 | 0 | 0 | 111.1 | T761 T762 K776 E780 W791 G792 K793 | T761-Y798 CarbonylContact C-O 3.55Å; T761-Y798 WeakPolarHBondContact CA-O 2.98Å; T761-Y798 PolarHBondContact OG1-O 3.01Å; T762-Y798 HydrophobicContact CG2-CD2 4.22Å; T762-Y798 PolarHBondContact N-O 3.36Å; T762-Y798 PolarHBondContact OG1-N 2.92Å; K776-Y798 HydrophobicContact CG-CD2 4.49Å; K776-Y798 HydrophobicContact CG-CE2 4.27Å; E780-Y798 HydrophobicContact CG-CE2 4.21Å; E780-Y798 WeakPolarHBondContact OE1-CE2 3.36Å; E780-Y798 PolarHBondContact OE1-OH 3.09Å; E780-Y798 VanDerWaalsContact OE1-OH 3.08Å; W791-Y798 HydrophobicContact CE3-CD1 4.05Å; W791-Y798 HydrophobicContact CE3-CE1 4.29Å; W791-Y798 HydrophobicContact CZ3-CD1 4.18Å; W791-Y798 AromaticContact CZ3-CE1 3.96Å; W791-Y798 HydrophobicContact CZ3-CE1 3.96Å; G792-Y798 CarbonylContact O-C 3.54Å; G792-Y798 WeakPolarHBondContact O-CA 3.39Å; K793-Y798 HydrophobicContact CD-CE1 4.1Å; K793-Y798 HydrophobicContact CD-CE2 4.11Å; K793-Y798 HydrophobicContact CG-CE1 4.47Å; K793-Y798 PolarHBondContact NZ-OH 3.15Å |
| 799 | Y | 92.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.5 | 177.8 | -67.7 | -89.2 | 0 | 0 | 0 | 109.5 | T759 D760 T761 D763 L766 F771 W791 G792 V794 H797 A981 | T759-Y799 HydrophobicContact CG2-CD1 4.17Å; D760-Y799 CarbonylContact O-C 3.5Å; D760-Y799 VanDerWaalsContact O-CA 3.29Å; D760-Y799 WeakPolarHBondContact O-CA 3.19Å; T761-Y799 VanDerWaalsContact OG1-CD1 3.29Å; T761-Y799 WeakPolarHBondContact OG1-CD1 3.44Å; T761-Y799 WeakPolarHBondContact OG1-CE1 3.2Å; D763-Y799 WeakPolarHBondContact CB-OH 3.31Å; D763-Y799 PolarHBondContact OD2-OH 3.01Å; D763-Y799 VanDerWaalsContact OD2-OH 3.11Å; L766-Y799 HydrophobicContact CD1-CE1 3.63Å; L766-Y799 WeakPolarHBondContact CD1-OH 3.44Å; F771-Y799 HydrophobicContact CE1-CD1 4.5Å; F771-Y799 HydrophobicContact CE1-CE1 4.35Å; W791-Y799 CarbonylContact C-O 3.5Å; W791-Y799 WeakPolarHBondContact CA-O 3.43Å; G792-Y799 PolarHBondContact N-O 3.46Å; G792-Y799 PolarHBondContact O-N 3.16Å; V794-Y799 HydrophobicContact CB-CD2 4.17Å; V794-Y799 HydrophobicContact CB-CE2 3.94Å; V794-Y799 HydrophobicContact CG2-CD2 4.17Å; V794-Y799 HydrophobicContact CG2-CE2 4.39Å; H797-Y799 HydrophobicContact CB-CE2 3.88Å; Y799-A981 HydrophobicContact CD1-CB 3.93Å; Y799-A981 HydrophobicContact CD2-CB 3.84Å; Y799-A981 VanDerWaalsContact CE1-CA 3.43Å; Y799-A981 HydrophobicContact CE1-CB 3.67Å; Y799-A981 HydrophobicContact CE2-CB 3.62Å; Y799-A981 HydrophobicContact CG-CB 3.99Å |
| 800 | G | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 156.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | T759 D760 E790 | T759-G800 WeakPolarHBondContact CA-O 2.96Å; D760-G800 PolarHBondContact N-O 3.4Å; D760-G800 PolarHBondContact O-N 3.36Å; E790-G800 CarbonylContact O-C 3.56Å; E790-G800 WeakPolarHBondContact O-CA 3.36Å |
| 801 | I | 90.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.3 | 172.7 | -68.4 | 176.8 | 0 | 0 | 0 | 108.9 | P757 Y788 V789 E790 L980 | P757-I801 HydrophobicContact CB-CG2 3.98Å; P757-I801 HydrophobicContact CG-CD1 4.34Å; P757-I801 HydrophobicContact CG-CG1 4.44Å; P757-I801 HydrophobicContact CG-CG2 3.57Å; Y788-I801 WeakPolarHBondContact CA-O 3.36Å; V789-I801 HydrophobicContact CB-CG2 4.32Å; V789-I801 HydrophobicContact CG2-CG2 4.38Å; V789-I801 PolarHBondContact N-O 2.99Å; E790-I801 PolarHBondContact O-N 2.98Å; I801-L980 HydrophobicContact CD1-CD2 3.57Å; I801-L980 HydrophobicContact CG1-CD2 3.74Å |
| 802 | R | 90.1 | Very high | 90.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.6 | -174.7 | -164.2 | -173.7 | -66.2 | -114.6 | -5.1 | 112.1 | D760 L774 D782 A787 Y788 S804 E805 | D760-R802 IonicContact OD2-CZ 2.74Å; D760-R802 IonicContact OD2-NE 2.79Å; D760-R802 PolarHBondContact OD2-NE 3.34Å; D760-R802 IonicContact OD2-NH2 2.66Å; D760-R802 PolarHBondContact OD2-NH2 3.08Å; L774-R802 VanDerWaalsContact CD1-NH2 3.26Å; D782-R802 IonicContact OD1-NH1 3.09Å; D782-R802 IonicContact OD2-CZ 3.17Å; D782-R802 IonicContact OD2-NH1 3.82Å; D782-R802 PolarHBondContact OD2-NH1 3.28Å; D782-R802 IonicContact OD2-NH2 2.75Å; D782-R802 PolarHBondContact OD2-NH2 3.35Å; A787-R802 HydrophobicContact CB-CG 4.33Å; A787-R802 WeakPolarHBondContact O-CA 3.49Å; A787-R802 VanDerWaalsContact O-CG 3.24Å; A787-R802 WeakPolarHBondContact O-CG 3.46Å; Y788-R802 HydrophobicContact CD1-CB 4.21Å; Y788-R802 HydrophobicContact CE1-CB 4.05Å; Y788-R802 HydrophobicContact CE1-CG 4.5Å; Y788-R802 PolarHBondContact OH-NH2 3.27Å; Y788-R802 VanDerWaalsContact OH-NH2 3.08Å; R802-S804 VanDerWaalsContact C-N 3.27Å; R802-S804 WeakPolarHBondContact CD-OG 3.47Å; R802-S804 PolarHBondContact O-N 2.99Å; R802-E805 PolarHBondContact O-N 3.48Å |
| 803 | F | 88.2 | Confident | 90.9 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -38.7 | 177.1 | -73.1 | -79.9 | 0 | 0 | 0 | 112.9 | G786 A787 Y788 V789 E805 L806 R807 L827 F833 I952 | G786-F803 WeakPolarHBondContact O-CE2 3.37Å; A787-F803 WeakPolarHBondContact O-CD2 3.02Å; A787-F803 PolarHBondContact O-N 3.31Å; Y788-F803 VanDerWaalsContact C-CE2 3.48Å; Y788-F803 VanDerWaalsContact O-CE2 3.3Å; Y788-F803 WeakPolarHBondContact O-CE2 3.18Å; V789-F803 HydrophobicContact CB-CE1 4.47Å; V789-F803 HydrophobicContact CG2-CD1 3.48Å; V789-F803 VanDerWaalsContact CG2-CD1 3.48Å; V789-F803 HydrophobicContact CG2-CD2 4.19Å; V789-F803 HydrophobicContact CG2-CE1 3.6Å; V789-F803 HydrophobicContact CG2-CE2 4.27Å; V789-F803 HydrophobicContact CG2-CG 3.79Å; V789-F803 HydrophobicContact CG2-CZ 3.99Å; F803-E805 VanDerWaalsContact C-N 3.29Å; F803-E805 PolarHBondContact O-N 2.99Å; F803-L806 WeakPolarHBondContact O-CB 3.08Å; F803-L806 PolarHBondContact O-N 3.22Å; F803-R807 PolarHBondContact O-N 2.83Å; F803-R807 VanDerWaalsContact O-N 3.08Å; F803-L827 HydrophobicContact CE1-CB 4.37Å; F803-L827 HydrophobicContact CZ-CB 4.05Å; F803-L827 HydrophobicContact CZ-CD1 4.38Å; F803-F833 AromaticContact CD1-CE2 3.8Å; F803-F833 HydrophobicContact CD1-CE2 3.8Å; F803-F833 AromaticContact CD1-CZ 3.66Å; F803-F833 HydrophobicContact CD1-CZ 3.66Å; F803-F833 HydrophobicContact CE1-CE2 4.05Å; F803-F833 HydrophobicContact CE1-CZ 4.38Å; F803-I952 HydrophobicContact CB-CG2 4.4Å; F803-I952 HydrophobicContact CD1-CD1 4.3Å; F803-I952 HydrophobicContact CD1-CG2 4.3Å; F803-I952 HydrophobicContact CD2-CG2 3.57Å; F803-I952 HydrophobicContact CE1-CD1 3.57Å; F803-I952 HydrophobicContact CE1-CG1 4.31Å; F803-I952 HydrophobicContact CE1-CG2 4.46Å; F803-I952 HydrophobicContact CE2-CD1 4.13Å; F803-I952 HydrophobicContact CE2-CG1 3.98Å; F803-I952 HydrophobicContact CE2-CG2 3.79Å; F803-I952 HydrophobicContact CG-CG2 3.86Å; F803-I952 HydrophobicContact CZ-CD1 3.48Å; F803-I952 VanDerWaalsContact CZ-CD1 3.48Å; F803-I952 HydrophobicContact CZ-CG1 3.81Å; F803-I952 HydrophobicContact CZ-CG2 4.23Å |
| 804 | S | 88.8 | Confident | 91.3 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 37% | 0.371 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -27.4 | -177.8 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | R802 L806 R807 K808 | R802-S804 VanDerWaalsContact C-N 3.27Å; R802-S804 WeakPolarHBondContact CD-OG 3.47Å; R802-S804 PolarHBondContact O-N 2.99Å; S804-L806 VanDerWaalsContact C-N 3.35Å; S804-R807 PolarHBondContact O-N 3.46Å; S804-K808 WeakPolarHBondContact O-CB 3.44Å; S804-K808 PolarHBondContact O-N 2.85Å |
| 805 | E | 92.6 | Very high | 91.8 | Very high | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.7 | -28.2 | 173.3 | -71.2 | -64 | 126.5 | 0 | 0 | 111.9 | P757 R802 F803 K808 I809 | P757-E805 HydrophobicContact CB-CB 4Å; R802-E805 PolarHBondContact O-N 3.48Å; F803-E805 VanDerWaalsContact C-N 3.29Å; F803-E805 PolarHBondContact O-N 2.99Å; E805-K808 VanDerWaalsContact OE1-CD 3.29Å; E805-K808 WeakPolarHBondContact OE1-CD 3.44Å; E805-K808 IonicContact OE1-NZ 2.67Å; E805-K808 PolarHBondContact OE1-NZ 3.48Å; E805-K808 WeakPolarHBondContact OE2-CD 3.5Å; E805-K808 IonicContact OE2-NZ 2.72Å; E805-K808 PolarHBondContact OE2-NZ 3.06Å; E805-I809 WeakPolarHBondContact O-CD1 3.31Å; E805-I809 VanDerWaalsContact O-CG1 3.31Å; E805-I809 WeakPolarHBondContact O-CG1 3.47Å; E805-I809 PolarHBondContact O-N 3.25Å; E805-I809 VanDerWaalsContact O-N 3.14Å |
| 806 | L | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -51.7 | 168.9 | -57.9 | -173.4 | 0 | 0 | 0 | 111.1 | P757 V789 F803 S804 K808 I809 I810 A816 L818 L828 F833 | P757-L806 HydrophobicContact CB-CD2 3.97Å; P757-L806 HydrophobicContact CG-CD2 3.69Å; V789-L806 HydrophobicContact CG2-CD1 3.89Å; F803-L806 WeakPolarHBondContact O-CB 3.08Å; F803-L806 PolarHBondContact O-N 3.22Å; S804-L806 VanDerWaalsContact C-N 3.35Å; L806-K808 PolarHBondContact O-N 2.88Å; L806-I809 PolarHBondContact O-N 3.48Å; L806-I810 WeakPolarHBondContact O-CG1 3.49Å; L806-I810 PolarHBondContact O-N 3.22Å; L806-A816 HydrophobicContact CD2-CB 4.11Å; L806-L818 HydrophobicContact CD1-CD1 4.45Å; L806-L818 HydrophobicContact CD1-CD2 4.09Å; L806-L818 HydrophobicContact CD2-CD1 3.61Å; L806-L818 HydrophobicContact CD2-CD2 4.11Å; L806-L818 HydrophobicContact CD2-CG 4.15Å; L806-L828 HydrophobicContact CD1-CD2 3.64Å; L806-F833 HydrophobicContact CB-CD1 4.39Å; L806-F833 HydrophobicContact CB-CE1 3.92Å; L806-F833 HydrophobicContact CD1-CD1 4.37Å; L806-F833 HydrophobicContact CD1-CE1 4.18Å |
| 807 | R | 91 | Very high | 92.6 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.9 | -42.9 | 176.4 | -67.8 | 175 | -178.9 | 149.4 | 6.3 | 111.4 | F803 S804 I810 A811 E832 F833 | F803-R807 PolarHBondContact O-N 2.83Å; F803-R807 VanDerWaalsContact O-N 3.08Å; S804-R807 PolarHBondContact O-N 3.46Å; R807-I810 PolarHBondContact O-N 2.8Å; R807-A811 VanDerWaalsContact O-CB 3.23Å; R807-A811 WeakPolarHBondContact O-CB 3.47Å; R807-A811 PolarHBondContact O-N 2.75Å; R807-E832 WeakPolarHBondContact CD-OE2 3.49Å; R807-E832 WeakPolarHBondContact CG-OE2 3.49Å; R807-E832 IonicContact CZ-OE1 2.91Å; R807-E832 IonicContact CZ-OE2 3.42Å; R807-E832 IonicContact NE-OE1 3.67Å; R807-E832 PolarHBondContact NE-OE1 2.92Å; R807-E832 IonicContact NE-OE2 3.27Å; R807-E832 PolarHBondContact NE-OE2 2.66Å; R807-E832 IonicContact NH2-OE1 3.66Å; R807-E832 PolarHBondContact NH2-OE1 2.8Å; R807-E832 IonicContact NH2-OE2 2.68Å; R807-F833 HydrophobicContact CG-CE1 4.28Å |
| 808 | K | 92.3 | Very high | 92.8 | Very high | 106 Ų | 106 | 30.5 Ų | 30.5 | 46% | 0.461 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 175.3 | 179.7 | -173.7 | 176.6 | -166.4 | 0 | 113.2 | S804 E805 L806 N812 | S804-K808 WeakPolarHBondContact O-CB 3.44Å; S804-K808 PolarHBondContact O-N 2.85Å; E805-K808 VanDerWaalsContact OE1-CD 3.29Å; E805-K808 WeakPolarHBondContact OE1-CD 3.44Å; E805-K808 IonicContact OE1-NZ 2.67Å; E805-K808 PolarHBondContact OE1-NZ 3.48Å; E805-K808 WeakPolarHBondContact OE2-CD 3.5Å; E805-K808 IonicContact OE2-NZ 2.72Å; E805-K808 PolarHBondContact OE2-NZ 3.06Å; L806-K808 PolarHBondContact O-N 2.88Å; K808-N812 PolarHBondContact O-N 2.78Å; K808-N812 PolarHBondContact O-ND2 2.87Å |
| 809 | I | 95.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 5% | 0.046 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -45.8 | 174.4 | -69.4 | 163.1 | 0 | 0 | 0 | 110.7 | A755 Y756 P757 E805 L806 N812 R814 A816 | A755-I809 HydrophobicContact CB-CD1 4.16Å; A755-I809 HydrophobicContact CB-CG1 4.14Å; A755-I809 HydrophobicContact CB-CG2 3.94Å; Y756-I809 VanDerWaalsContact C-CD1 3.45Å; P757-I809 HydrophobicContact CB-CD1 4.45Å; E805-I809 WeakPolarHBondContact O-CD1 3.31Å; E805-I809 VanDerWaalsContact O-CG1 3.31Å; E805-I809 WeakPolarHBondContact O-CG1 3.47Å; E805-I809 PolarHBondContact O-N 3.25Å; E805-I809 VanDerWaalsContact O-N 3.14Å; L806-I809 PolarHBondContact O-N 3.48Å; I809-N812 WeakPolarHBondContact O-CB 3.45Å; I809-N812 PolarHBondContact O-N 2.75Å; I809-R814 HydrophobicContact CG2-CB 3.95Å; I809-R814 PolarHBondContact O-N 2.82Å; I809-A816 HydrophobicContact CB-CB 4.09Å; I809-A816 HydrophobicContact CD1-CB 4.31Å; I809-A816 HydrophobicContact CG2-CB 3.77Å |
| 810 | I | 92.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | -179.9 | -65.3 | 164.6 | 0 | 0 | 0 | 111.1 | P727 L806 R807 N812 G813 A816 F833 | P727-I810 HydrophobicContact CB-CD1 3.81Å; P727-I810 HydrophobicContact CB-CG1 3.87Å; P727-I810 HydrophobicContact CB-CG2 4Å; L806-I810 WeakPolarHBondContact O-CG1 3.49Å; L806-I810 PolarHBondContact O-N 3.22Å; R807-I810 PolarHBondContact O-N 2.8Å; I810-N812 VanDerWaalsContact C-N 3.25Å; I810-N812 PolarHBondContact O-N 3.11Å; I810-G813 WeakPolarHBondContact O-CA 3.37Å; I810-G813 PolarHBondContact O-N 2.79Å; I810-A816 HydrophobicContact CG1-CB 4.5Å; I810-F833 HydrophobicContact CD1-CD1 3.87Å; I810-F833 HydrophobicContact CD1-CE1 4.38Å |
| 811 | A | 89 | Confident | 92.3 | Very high | 66 Ų | 66 | 29.8 Ų | 29.8 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.9 | -27.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R807 G813 | R807-A811 VanDerWaalsContact O-CB 3.23Å; R807-A811 WeakPolarHBondContact O-CB 3.47Å; R807-A811 PolarHBondContact O-N 2.75Å; A811-G813 PolarHBondContact O-N 3.4Å |
| 812 | N | 93.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 30 Ų | 30 | 59% | 0.588 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 9.1 | 168.6 | -81.1 | -71.5 | 0 | 0 | 0 | 113.2 | K808 I809 I810 R814 | K808-N812 PolarHBondContact O-N 2.78Å; K808-N812 PolarHBondContact O-ND2 2.87Å; I809-N812 WeakPolarHBondContact O-CB 3.45Å; I809-N812 PolarHBondContact O-N 2.75Å; I810-N812 VanDerWaalsContact C-N 3.25Å; I810-N812 PolarHBondContact O-N 3.11Å; N812-R814 VanDerWaalsContact C-N 3.3Å; N812-R814 PolarHBondContact O-N 3.05Å |
| 813 | G | 92.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 33 Ų | 33 | 33% | 0.33 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 18.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | K725 I810 A811 | K725-G813 PolarHBondContact NZ-O 3.01Å; I810-G813 WeakPolarHBondContact O-CA 3.37Å; I810-G813 PolarHBondContact O-N 2.79Å; A811-G813 PolarHBondContact O-N 3.4Å |
| 814 | R | 96 | Very high | 91 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | trans | -110.3 | 151.5 | -179 | -70.7 | -171.1 | -64.6 | 177.4 | 0.7 | 111.4 | P751 K752 R753 I809 N812 | P751-R814 WeakPolarHBondContact O-CD 3.44Å; P751-R814 PolarHBondContact O-NH1 3.29Å; K752-R814 WeakPolarHBondContact O-CG 3.3Å; R753-R814 CarbonylContact O-C 3.57Å; R753-R814 VanDerWaalsContact O-CA 3.26Å; R753-R814 WeakPolarHBondContact O-CA 3.22Å; R753-R814 VanDerWaalsContact O-CB 3.25Å; R753-R814 WeakPolarHBondContact O-CB 3.46Å; I809-R814 HydrophobicContact CG2-CB 3.95Å; I809-R814 PolarHBondContact O-N 2.82Å; N812-R814 VanDerWaalsContact C-N 3.3Å; N812-R814 PolarHBondContact O-N 3.05Å | ||
| 815 | T | 97.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.3 | 170.4 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | V726 P727 L729 R753 F754 A755 | V726-T815 HydrophobicContact CG1-CG2 4.25Å; V726-T815 WeakPolarHBondContact O-CB 3.47Å; V726-T815 WeakPolarHBondContact O-CG2 3.44Å; V726-T815 PolarHBondContact O-OG1 2.8Å; P727-T815 CarbonylContact O-C 3.51Å; P727-T815 WeakPolarHBondContact O-CA 3.41Å; L729-T815 HydrophobicContact CB-CG2 3.78Å; R753-T815 PolarHBondContact O-N 3.41Å; F754-T815 WeakPolarHBondContact CA-O 3.38Å; F754-T815 HydrophobicContact CD1-CG2 4.11Å; F754-T815 HydrophobicContact CE1-CG2 4.12Å; A755-T815 PolarHBondContact N-O 3.2Å; A755-T815 VanDerWaalsContact N-O 3.13Å |
| 816 | A | 97.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P727 C728 L729 A755 L806 I809 I810 L818 | P727-A816 PolarHBondContact O-N 2.78Å; C728-A816 CarbonylContact C-O 3.57Å; C728-A816 WeakPolarHBondContact CA-O 3.49Å; L729-A816 PolarHBondContact N-O 2.88Å; A755-A816 CarbonylContact O-C 3.51Å; A755-A816 WeakPolarHBondContact O-CA 3.36Å; L806-A816 HydrophobicContact CD2-CB 4.11Å; I809-A816 HydrophobicContact CB-CB 4.09Å; I809-A816 HydrophobicContact CD1-CB 4.31Å; I809-A816 HydrophobicContact CG2-CB 3.77Å; I810-A816 HydrophobicContact CG1-CB 4.5Å; A816-L818 HydrophobicContact CB-CD1 4.26Å |
| 817 | V | 97.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.2 | -178.5 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | L729 L731 K743 L746 F754 A755 Y756 | L729-V817 HydrophobicContact CB-CG1 4.47Å; L729-V817 HydrophobicContact CB-CG2 4.41Å; L729-V817 HydrophobicContact CD2-CG1 4.13Å; L729-V817 HydrophobicContact CD2-CG2 4.34Å; L729-V817 HydrophobicContact CG-CG1 4.37Å; L729-V817 WeakPolarHBondContact O-CA 3.34Å; L731-V817 HydrophobicContact CD1-CG1 4.22Å; L731-V817 HydrophobicContact CG-CG1 4.44Å; K743-V817 HydrophobicContact CB-CG1 4.13Å; K743-V817 WeakPolarHBondContact CD-O 3.33Å; K743-V817 HydrophobicContact CG-CB 4.12Å; K743-V817 HydrophobicContact CG-CG1 3.89Å; L746-V817 HydrophobicContact CD2-CG1 4.43Å; L746-V817 HydrophobicContact CD2-CG2 4.15Å; F754-V817 HydrophobicContact CB-CG2 3.99Å; F754-V817 HydrophobicContact CD1-CG2 3.72Å; F754-V817 HydrophobicContact CG-CG2 4.25Å; A755-V817 PolarHBondContact O-N 2.94Å; Y756-V817 VanDerWaalsContact CB-O 3.24Å; Y756-V817 WeakPolarHBondContact CB-O 3.31Å |
| 818 | L | 95.5 | Very high | 89 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 151.3 | 179.2 | -67.5 | 75.3 | 0 | 0 | 0 | 111.3 | L729 L730 L731 P757 V789 L806 A816 C820 L828 | L729-L818 PolarHBondContact O-N 3.09Å; L730-L818 HydrophobicContact CD2-CB 3.86Å; L730-L818 HydrophobicContact CD2-CD1 3.85Å; L730-L818 HydrophobicContact CD2-CD2 4.22Å; L730-L818 HydrophobicContact CD2-CG 4.19Å; L731-L818 WeakPolarHBondContact CB-O 3.28Å; L731-L818 PolarHBondContact N-O 3.47Å; P757-L818 HydrophobicContact CG-CG 4.45Å; V789-L818 HydrophobicContact CG1-CD2 4.48Å; L806-L818 HydrophobicContact CD1-CD1 4.45Å; L806-L818 HydrophobicContact CD1-CD2 4.09Å; L806-L818 HydrophobicContact CD2-CD1 3.61Å; L806-L818 HydrophobicContact CD2-CD2 4.11Å; L806-L818 HydrophobicContact CD2-CG 4.15Å; A816-L818 HydrophobicContact CB-CD1 4.26Å; L818-C820 HydrophobicContact CB-CB 4.49Å; L818-L828 HydrophobicContact CD2-CD1 3.98Å |
| 819 | D | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -115 | 43.8 | 172.3 | 59.9 | -15.2 | 0 | 0 | 0 | 110.9 | R739 R740 K743 R979 | R739-D819 HydrophobicContact CB-CB 4.08Å; R739-D819 PolarHBondContact NH1-O 3.48Å; R740-D819 VanDerWaalsContact CA-OD2 3.27Å; R740-D819 WeakPolarHBondContact CA-OD2 3.2Å; R740-D819 WeakPolarHBondContact CB-OD2 3.22Å; R740-D819 WeakPolarHBondContact CG-OD2 3.01Å; K743-D819 HydrophobicContact CD-CB 4.28Å; K743-D819 WeakPolarHBondContact CE-OD1 3.5Å; K743-D819 VanDerWaalsContact NZ-CG 3.31Å; K743-D819 IonicContact NZ-OD1 3.42Å; K743-D819 PolarHBondContact NZ-OD1 2.94Å; K743-D819 IonicContact NZ-OD2 2.73Å; K743-D819 PolarHBondContact NZ-OD2 3.42Å; D819-R979 PolarHBondContact O-NE 3.22Å; D819-R979 PolarHBondContact O-NH1 3.06Å; D819-R979 IonicContact OD1-NH1 3.73Å; D819-R979 PolarHBondContact OD1-NH1 2.76Å | ||
| 820 | C | 88.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -70.4 | 172.4 | -175.2 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | R739 E790 L818 L825 | R739-C820 PolarHBondContact NH1-O 3.43Å; E790-C820 HydrophobicContact CG-CB 4.46Å; E790-C820 WeakPolarHBondContact OE1-CA 3.43Å; E790-C820 WeakPolarHBondContact OE1-CB 3.48Å; L818-C820 HydrophobicContact CB-CB 4.49Å; C820-L825 VanDerWaalsContact SG-CD1 3.6Å | ||
| 821 | Q | 83.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | trans | -82.6 | 161.4 | 170.5 | -99.8 | 169.9 | -8.2 | 0 | 0 | 112.8 | E790 Q823 S824 L825 S973 S976 | E790-Q821 PolarHBondContact OE1-N 3.13Å; Q821-Q823 VanDerWaalsContact C-N 3.3Å; Q821-Q823 PolarHBondContact O-N 3.49Å; Q821-S824 PolarHBondContact O-N 3.05Å; Q821-S824 PolarHBondContact O-OG 3.25Å; Q821-L825 WeakPolarHBondContact O-CD1 3.35Å; Q821-S973 PolarHBondContact NE2-OG 3.11Å; Q821-S976 WeakPolarHBondContact CG-OG 3.47Å; Q821-S976 PolarHBondContact NE2-OG 3.32Å; Q821-S976 PolarHBondContact OE1-OG 3.24Å | ||
| 822 | P | 83.1 | Confident | 86.8 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 5% | 0.045 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -57.7 | -34.6 | 174.9 | -26.7 | 36.7 | 0 | 0 | 0 | 114.5 | S824 L825 M880 Y884 L887 | P822-S824 VanDerWaalsContact C-N 3.28Å; P822-S824 PolarHBondContact O-N 2.75Å; P822-L825 PolarHBondContact O-N 3.06Å; P822-M880 HydrophobicContact CG-CE 4.06Å; P822-Y884 HydrophobicContact CB-CD1 3.65Å; P822-Y884 HydrophobicContact CB-CD2 4.32Å; P822-Y884 HydrophobicContact CB-CE1 3.57Å; P822-Y884 HydrophobicContact CB-CE2 4.27Å; P822-Y884 HydrophobicContact CB-CG 4.03Å; P822-Y884 HydrophobicContact CG-CD1 4.14Å; P822-Y884 HydrophobicContact CG-CD2 3.89Å; P822-Y884 HydrophobicContact CG-CE1 4.03Å; P822-Y884 HydrophobicContact CG-CE2 3.79Å; P822-Y884 HydrophobicContact CG-CG 4.06Å; P822-L887 HydrophobicContact CB-CD1 3.86Å |
| 823 | Q | 77.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 20.4 Ų | 20.4 | 49% | 0.486 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -45.7 | 177.6 | -69.5 | 88.2 | -23 | 0 | 0 | 111.6 | Q821 L825 H826 | Q821-Q823 VanDerWaalsContact C-N 3.3Å; Q821-Q823 PolarHBondContact O-N 3.49Å; Q823-L825 PolarHBondContact O-N 3.38Å; Q823-L825 VanDerWaalsContact O-N 3.12Å; Q823-H826 PolarHBondContact O-N 3.43Å; Q823-H826 PolarHBondContact O-ND1 3.45Å; Q823-H826 VanDerWaalsContact O-ND1 3.08Å |
| 824 | S | 82.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 20.4 Ų | 20.4 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.9 | -175.3 | -41.6 | 0 | 0 | 0 | 0 | 114.1 | E790 Q821 P822 H826 L827 L828 | E790-S824 WeakPolarHBondContact CG-OG 3.42Å; E790-S824 PolarHBondContact OE1-OG 3.16Å; Q821-S824 PolarHBondContact O-N 3.05Å; Q821-S824 PolarHBondContact O-OG 3.25Å; P822-S824 VanDerWaalsContact C-N 3.28Å; P822-S824 PolarHBondContact O-N 2.75Å; S824-H826 PolarHBondContact O-N 3.01Å; S824-L827 PolarHBondContact O-N 3.32Å; S824-L827 VanDerWaalsContact O-N 3.1Å; S824-L828 WeakPolarHBondContact O-CG 3.48Å; S824-L828 PolarHBondContact O-N 3.2Å; S824-L828 VanDerWaalsContact O-N 3.1Å |
| 825 | L | 81.9 | Confident | 86 | Confident | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -29.5 | 178 | -85.5 | 56.1 | 0 | 0 | 0 | 111.5 | L730 I732 C820 Q821 P822 Q823 L827 L828 H829 V837 L887 | L730-L825 HydrophobicContact CD1-CD1 3.93Å; L730-L825 HydrophobicContact CD1-CG 3.96Å; I732-L825 HydrophobicContact CD1-CD2 4.08Å; I732-L825 HydrophobicContact CG2-CD1 3.62Å; I732-L825 HydrophobicContact CG2-CD2 3.96Å; I732-L825 HydrophobicContact CG2-CG 4.47Å; C820-L825 VanDerWaalsContact SG-CD1 3.6Å; Q821-L825 WeakPolarHBondContact O-CD1 3.35Å; P822-L825 PolarHBondContact O-N 3.06Å; Q823-L825 PolarHBondContact O-N 3.38Å; Q823-L825 VanDerWaalsContact O-N 3.12Å; L825-L827 PolarHBondContact O-N 3.29Å; L825-L828 CarbonylContact O-C 3.18Å; L825-L828 PolarHBondContact O-N 3.25Å; L825-H829 VanDerWaalsContact O-CB 3.23Å; L825-H829 WeakPolarHBondContact O-CB 3.13Å; L825-H829 PolarHBondContact O-N 3.4Å; L825-V837 HydrophobicContact CD2-CB 4.5Å; L825-V837 HydrophobicContact CD2-CG1 3.72Å; L825-V837 HydrophobicContact CD2-CG2 3.99Å; L825-V837 HydrophobicContact CG-CG2 4.43Å; L825-L887 HydrophobicContact CD2-CB 3.85Å; L825-L887 HydrophobicContact CD2-CD1 4.37Å |
| 826 | H | 74.1 | Confident | 85.8 | Confident | 42 Ų | 42 | 17.9 Ų | 17.9 | 19% | 0.194 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -29.7 | 173.2 | -65.6 | 93.2 | 0 | 0 | 0 | 113.1 | S710 W713 Q823 S824 L950 | S710-H826 PolarHBondContact O-NE2 3.03Å; W713-H826 AromaticContact CZ2-CD2 3.99Å; Q823-H826 PolarHBondContact O-N 3.43Å; Q823-H826 PolarHBondContact O-ND1 3.45Å; Q823-H826 VanDerWaalsContact O-ND1 3.08Å; S824-H826 PolarHBondContact O-N 3.01Å; H826-L950 WeakPolarHBondContact O-CD1 3.27Å |
| 827 | L | 79.7 | Confident | 85.6 | Confident | 51 Ų | 51 | 18.4 Ų | 18.4 | 27% | 0.267 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -85.8 | -30.7 | 176.4 | -60 | 176.8 | 0 | 0 | 0 | 112 | F803 S824 L825 Q830 | F803-L827 HydrophobicContact CE1-CB 4.37Å; F803-L827 HydrophobicContact CZ-CB 4.05Å; F803-L827 HydrophobicContact CZ-CD1 4.38Å; S824-L827 PolarHBondContact O-N 3.32Å; S824-L827 VanDerWaalsContact O-N 3.1Å; L825-L827 PolarHBondContact O-N 3.29Å; L827-Q830 PolarHBondContact O-OE1 3.41Å |
| 828 | L | 85.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -90.4 | -9.1 | -177.9 | -65 | 170.3 | 0 | 0 | 0 | 113.8 | L730 V789 L806 L818 S824 L825 Q830 F833 P835 | L730-L828 HydrophobicContact CD1-CB 3.94Å; L730-L828 HydrophobicContact CD1-CD1 3.63Å; L730-L828 HydrophobicContact CD1-CG 4.45Å; L730-L828 HydrophobicContact CD2-CD1 3.84Å; L730-L828 HydrophobicContact CG-CD1 4.43Å; V789-L828 HydrophobicContact CG1-CD1 3.76Å; V789-L828 HydrophobicContact CG1-CD2 3.8Å; V789-L828 HydrophobicContact CG1-CG 3.81Å; V789-L828 HydrophobicContact CG2-CD2 4.18Å; L806-L828 HydrophobicContact CD1-CD2 3.64Å; L818-L828 HydrophobicContact CD2-CD1 3.98Å; S824-L828 WeakPolarHBondContact O-CG 3.48Å; S824-L828 PolarHBondContact O-N 3.2Å; S824-L828 VanDerWaalsContact O-N 3.1Å; L825-L828 CarbonylContact O-C 3.18Å; L825-L828 PolarHBondContact O-N 3.25Å; L828-Q830 PolarHBondContact O-N 2.73Å; L828-F833 HydrophobicContact CD2-CD2 3.97Å; L828-F833 HydrophobicContact CD2-CE2 4.3Å; L828-F833 HydrophobicContact CD2-CG 4.19Å; L828-F833 WeakPolarHBondContact O-CB 3.34Å; L828-P835 WeakPolarHBondContact O-CD 3.42Å; L828-P835 WeakPolarHBondContact O-CG 3.45Å |
| 829 | H | 83.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 18.4 Ų | 18.4 | 24% | 0.236 | 9% | 0.094 | C | C | . | . | trans | -80.2 | 61.5 | 178.5 | -161.2 | -92.4 | 0 | 0 | 0 | 111.7 | W713 E716 L825 W922 | W713-H829 HydrophobicContact CH2-CB 4.41Å; E716-H829 IonicContact OE1-CE1 3.25Å; E716-H829 PolarHBondContact OE1-CE1 3.24Å; E716-H829 VanDerWaalsContact OE1-CE1 3.26Å; E716-H829 IonicContact OE1-NE2 3Å; L825-H829 VanDerWaalsContact O-CB 3.23Å; L825-H829 WeakPolarHBondContact O-CB 3.13Å; L825-H829 PolarHBondContact O-N 3.4Å; H829-W922 AromaticContact CE1-CH2 3.82Å; H829-W922 AromaticContact CE1-CZ2 3.54Å; H829-W922 AromaticContact ND1-CZ2 3.59Å; H829-W922 AromaticContact NE2-CH2 3.81Å; H829-W922 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 830 | Q | 81.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -131.4 | 156.9 | -176.9 | -71.3 | -170.7 | -59.4 | 0 | 0 | 111.3 | L827 L828 E832 F833 N834 L950 | L827-Q830 PolarHBondContact O-OE1 3.41Å; L828-Q830 PolarHBondContact O-N 2.73Å; Q830-E832 PolarHBondContact O-N 3.08Å; Q830-F833 HydrophobicContact CB-CD2 4.15Å; Q830-F833 PolarHBondContact O-N 3.48Å; Q830-F833 VanDerWaalsContact O-N 3.16Å; Q830-N834 PolarHBondContact O-N 3.47Å; Q830-L950 HydrophobicContact CG-CD1 4.26Å; Q830-L950 PolarHBondContact NE2-O 3.26Å |
| 831 | P | 76.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.1 | -177.1 | 19.2 | -29.1 | 0 | 0 | 0 | 114.4 | F833 W922 E925 L926 P942 | P831-F833 VanDerWaalsContact C-N 3.26Å; P831-F833 PolarHBondContact O-N 3.15Å; P831-W922 HydrophobicContact CB-CB 3.9Å; P831-W922 HydrophobicContact CB-CD2 3.99Å; P831-W922 HydrophobicContact CB-CE3 4.47Å; P831-W922 HydrophobicContact CB-CG 3.71Å; P831-W922 HydrophobicContact CG-CG 4.19Å; P831-E925 VanDerWaalsContact CG-OE2 3.3Å; P831-E925 WeakPolarHBondContact CG-OE2 3.18Å; P831-L926 HydrophobicContact CB-CD1 4.38Å; P831-L926 HydrophobicContact CB-CD2 4.23Å; P831-L926 HydrophobicContact CB-CG 4.04Å; P831-P942 HydrophobicContact CB-CB 4.07Å; P831-P942 HydrophobicContact CG-CB 4.36Å |
| 832 | E | 81 | Confident | 86.7 | Confident | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.056 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.3 | 176.3 | 46.5 | 170.5 | 157.5 | 0 | 0 | 113.6 | R807 Q830 I941 P942 | R807-E832 WeakPolarHBondContact CD-OE2 3.49Å; R807-E832 WeakPolarHBondContact CG-OE2 3.49Å; R807-E832 IonicContact CZ-OE1 2.91Å; R807-E832 IonicContact CZ-OE2 3.42Å; R807-E832 IonicContact NE-OE1 3.67Å; R807-E832 PolarHBondContact NE-OE1 2.92Å; R807-E832 IonicContact NE-OE2 3.27Å; R807-E832 PolarHBondContact NE-OE2 2.66Å; R807-E832 IonicContact NH2-OE1 3.66Å; R807-E832 PolarHBondContact NH2-OE1 2.8Å; R807-E832 IonicContact NH2-OE2 2.68Å; Q830-E832 PolarHBondContact O-N 3.08Å; E832-I941 HydrophobicContact CB-CG2 4.22Å; E832-I941 HydrophobicContact CG-CG2 4.45Å; E832-I941 WeakPolarHBondContact OE2-CG2 3.17Å; E832-P942 WeakPolarHBondContact CB-O 3.3Å; E832-P942 VanDerWaalsContact CG-O 3.26Å; E832-P942 WeakPolarHBondContact CG-O 3.37Å; E832-P942 PolarHBondContact N-O 3.37Å |
| 833 | F | 89.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -32 | -176.3 | -57.1 | -50 | 0 | 0 | 0 | 112.8 | P727 C728 F803 L806 R807 I810 L828 Q830 P831 | P727-F833 WeakPolarHBondContact CB-O 3.48Å; C728-F833 HydrophobicContact CB-CB 4.42Å; C728-F833 VanDerWaalsContact CB-O 3.29Å; C728-F833 WeakPolarHBondContact CB-O 3.39Å; C728-F833 PolarHBondContact N-O 3.17Å; C728-F833 VanDerWaalsContact N-O 3.1Å; F803-F833 AromaticContact CD1-CE2 3.8Å; F803-F833 HydrophobicContact CD1-CE2 3.8Å; F803-F833 AromaticContact CD1-CZ 3.66Å; F803-F833 HydrophobicContact CD1-CZ 3.66Å; F803-F833 HydrophobicContact CE1-CE2 4.05Å; F803-F833 HydrophobicContact CE1-CZ 4.38Å; L806-F833 HydrophobicContact CB-CD1 4.39Å; L806-F833 HydrophobicContact CB-CE1 3.92Å; L806-F833 HydrophobicContact CD1-CD1 4.37Å; L806-F833 HydrophobicContact CD1-CE1 4.18Å; R807-F833 HydrophobicContact CG-CE1 4.28Å; I810-F833 HydrophobicContact CD1-CD1 3.87Å; I810-F833 HydrophobicContact CD1-CE1 4.38Å; L828-F833 HydrophobicContact CD2-CD2 3.97Å; L828-F833 HydrophobicContact CD2-CE2 4.3Å; L828-F833 HydrophobicContact CD2-CG 4.19Å; L828-F833 WeakPolarHBondContact O-CB 3.34Å; Q830-F833 HydrophobicContact CB-CD2 4.15Å; Q830-F833 PolarHBondContact O-N 3.48Å; Q830-F833 VanDerWaalsContact O-N 3.16Å; P831-F833 VanDerWaalsContact C-N 3.26Å; P831-F833 PolarHBondContact O-N 3.15Å |
| 834 | N | 86.3 | Confident | 88.1 | Confident | 33 Ų | 33 | 16.9 Ų | 16.9 | 18% | 0.176 | 10% | 0.099 | C | C | . | . | trans | 34.6 | 63 | 179.1 | -172.9 | 4.9 | 0 | 0 | 0 | 112.7 | P727 Q830 C836 W922 | P727-N834 HydrophobicContact CG-CB 4.02Å; Q830-N834 PolarHBondContact O-N 3.47Å; N834-C836 PolarHBondContact O-N 3.1Å; N834-W922 HydrophobicContact CB-CE3 4.49Å; N834-W922 HydrophobicContact CB-CZ3 4.1Å; N834-W922 WeakPolarHBondContact OD1-CZ3 3.36Å | ||
| 835 | P | 91 | Very high | 88.6 | Confident | 21 Ų | 21 | 18.4 Ų | 18.4 | 14% | 0.136 | 10% | 0.104 | C | C | . | . | trans | -74.9 | 123.1 | -159 | 28.5 | -36.1 | 0 | 0 | 0 | 113.3 | C728 L730 L828 V837 | C728-P835 HydrophobicContact CB-CB 4.32Å; L730-P835 HydrophobicContact CD1-CB 3.52Å; L730-P835 HydrophobicContact CD1-CG 4.33Å; L730-P835 HydrophobicContact CG-CB 3.8Å; L828-P835 WeakPolarHBondContact O-CD 3.42Å; L828-P835 WeakPolarHBondContact O-CG 3.45Å; P835-V837 HydrophobicContact CB-CG2 4.16Å; P835-V837 HydrophobicContact CG-CG2 4.49Å; P835-V837 PolarHBondContact O-N 3.4Å | ||
| 836 | C | 92.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 106.6 | 160.6 | 177 | 0 | 0 | 0 | 0 | 108.8 | V726 C728 L729 L730 N834 L911 | V726-C836 HydrophobicContact CG1-CB 3.63Å; C728-C836 PolarHBondContact O-N 3.09Å; L729-C836 CarbonylContact C-O 3.55Å; L729-C836 WeakPolarHBondContact CA-O 3.31Å; L729-C836 HydrophobicContact CD1-CB 4.25Å; L730-C836 PolarHBondContact N-O 3.47Å; N834-C836 PolarHBondContact O-N 3.1Å; C836-L911 HydrophobicContact CB-CD1 4.24Å; C836-L911 WeakPolarHBondContact SG-CD1 3.38Å |
| 837 | V | 93.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.9 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | L730 I732 L825 P835 L887 S889 H890 | L730-V837 HydrophobicContact CB-CG1 4.49Å; L730-V837 HydrophobicContact CB-CG2 4.26Å; L730-V837 HydrophobicContact CD1-CG2 4.18Å; L730-V837 HydrophobicContact CG-CG2 4.5Å; I732-V837 HydrophobicContact CD1-CG1 3.84Å; I732-V837 HydrophobicContact CG1-CG1 3.89Å; I732-V837 HydrophobicContact CG2-CG1 4.39Å; L825-V837 HydrophobicContact CD2-CB 4.5Å; L825-V837 HydrophobicContact CD2-CG1 3.72Å; L825-V837 HydrophobicContact CD2-CG2 3.99Å; L825-V837 HydrophobicContact CG-CG2 4.43Å; P835-V837 HydrophobicContact CB-CG2 4.16Å; P835-V837 HydrophobicContact CG-CG2 4.49Å; P835-V837 PolarHBondContact O-N 3.4Å; V837-L887 WeakPolarHBondContact CB-O 3.32Å; V837-L887 WeakPolarHBondContact CG1-O 3.35Å; V837-S889 PolarHBondContact O-N 3.5Å; V837-S889 PolarHBondContact O-OG 3.45Å; V837-H890 PolarHBondContact O-N 3.4Å |
| 838 | V | 96.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.8 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | L729 L730 L731 I732 H890 L892 L904 L907 | L729-V838 HydrophobicContact CD1-CG2 3.79Å; L730-V838 PolarHBondContact O-N 3.02Å; L731-V838 HydrophobicContact CD2-CB 4.05Å; L731-V838 HydrophobicContact CD2-CG2 4.45Å; I732-V838 PolarHBondContact N-O 3.39Å; V838-H890 WeakPolarHBondContact CA-O 3.37Å; V838-H890 HydrophobicContact CG1-CB 4.4Å; V838-H890 HydrophobicContact CG2-CB 4.26Å; V838-L892 HydrophobicContact CG1-CB 3.72Å; V838-L904 HydrophobicContact CB-CD2 4.41Å; V838-L904 HydrophobicContact CG1-CD2 4.2Å; V838-L904 HydrophobicContact CG2-CD2 4.05Å; V838-L907 HydrophobicContact CG2-CD2 3.75Å |
| 839 | F | 96 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.5 | 167.1 | -174.2 | -84.6 | 0 | 0 | 0 | 109.7 | I732 A841 M880 Y888 H890 I891 L892 | I732-F839 HydrophobicContact CD1-CD2 4.29Å; I732-F839 HydrophobicContact CG1-CB 4.34Å; I732-F839 HydrophobicContact CG1-CD2 4.14Å; F839-A841 HydrophobicContact CD1-CB 4.05Å; F839-A841 HydrophobicContact CE1-CB 3.91Å; F839-A841 PolarHBondContact O-N 3.15Å; F839-M880 HydrophobicContact CE2-CB 3.87Å; F839-M880 HydrophobicContact CZ-CB 3.92Å; F839-Y888 HydrophobicContact CB-CD1 3.63Å; F839-Y888 HydrophobicContact CB-CD2 3.83Å; F839-Y888 HydrophobicContact CB-CE1 3.75Å; F839-Y888 HydrophobicContact CB-CE2 4.01Å; F839-Y888 HydrophobicContact CB-CG 3.64Å; F839-Y888 AromaticContact CD2-CD1 3.87Å; F839-Y888 HydrophobicContact CD2-CD1 3.87Å; F839-Y888 AromaticContact CD2-CE1 3.62Å; F839-Y888 HydrophobicContact CD2-CE1 3.62Å; F839-Y888 HydrophobicContact CE2-CE1 4.41Å; F839-Y888 HydrophobicContact CG-CD1 4.07Å; F839-Y888 AromaticContact CG-CE1 3.79Å; F839-Y888 HydrophobicContact CG-CE1 3.79Å; F839-H890 PolarHBondContact N-O 3.14Å; F839-I891 CarbonylContact O-C 3.58Å; F839-I891 WeakPolarHBondContact O-CA 3.29Å; F839-L892 PolarHBondContact O-N 3.49Å |
| 840 | V | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.8 | 174 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | L731 I732 V737 R739 L742 L892 N894 | L731-V840 HydrophobicContact CB-CG2 4.18Å; L731-V840 HydrophobicContact CD2-CG2 4.41Å; I732-V840 PolarHBondContact O-N 3.41Å; V737-V840 HydrophobicContact CB-CG1 4.36Å; V737-V840 HydrophobicContact CG2-CB 4.05Å; V737-V840 HydrophobicContact CG2-CG1 3.82Å; V737-V840 WeakPolarHBondContact CG2-O 3.21Å; R739-V840 HydrophobicContact CG-CB 3.92Å; R739-V840 HydrophobicContact CG-CG1 4.36Å; R739-V840 HydrophobicContact CG-CG2 4.08Å; L742-V840 HydrophobicContact CD1-CG1 3.82Å; L742-V840 HydrophobicContact CD1-CG2 4.06Å; V840-L892 CarbonylContact C-O 3.59Å; V840-L892 WeakPolarHBondContact CA-O 3.41Å; V840-N894 HydrophobicContact CG1-CB 3.99Å |
| 841 | A | 96.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 148.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | F839 S877 I891 L892 V893 N894 | F839-A841 HydrophobicContact CD1-CB 4.05Å; F839-A841 HydrophobicContact CE1-CB 3.91Å; F839-A841 PolarHBondContact O-N 3.15Å; A841-S877 WeakPolarHBondContact CA-OG 3.37Å; A841-I891 HydrophobicContact CB-CG2 4.1Å; A841-L892 PolarHBondContact N-O 2.83Å; A841-V893 HydrophobicContact CB-CG2 4.2Å; A841-N894 PolarHBondContact O-N 2.96Å; A841-N894 VanDerWaalsContact O-N 3.13Å |
| 842 | A | 95 | Very high | 92.2 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | trans | -64.7 | 145 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V737 I873 I874 S877 | V737-A842 HydrophobicContact CG1-CB 3.93Å; A842-I873 HydrophobicContact CB-CG2 4.4Å; A842-I874 HydrophobicContact CB-CG1 3.84Å; A842-S877 PolarHBondContact N-OG 3.36Å | ||
| 843 | P | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | trans | -77.6 | -171.8 | 166.8 | 37.4 | -36.3 | 0 | 0 | 0 | 110.3 | V847 A848 M851 V893 N894 K895 | P843-V847 HydrophobicContact CB-CB 4Å; P843-V847 HydrophobicContact CB-CG1 3.72Å; P843-V847 HydrophobicContact CG-CB 4.27Å; P843-V847 HydrophobicContact CG-CG1 3.95Å; P843-A848 HydrophobicContact CG-CB 3.91Å; P843-M851 HydrophobicContact CG-SD 4.16Å; P843-V893 HydrophobicContact CB-CG1 4.07Å; P843-N894 WeakPolarHBondContact CG-O 3.33Å; P843-K895 HydrophobicContact CB-CG 4.01Å | ||
| 844 | S | 94.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | trans | -65.3 | 162.8 | 172.1 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | E846 V847 A848 | S844-E846 VanDerWaalsContact C-N 3.31Å; S844-E846 WeakPolarHBondContact CB-OE2 3.49Å; S844-E846 PolarHBondContact O-N 2.95Å; S844-E846 PolarHBondContact OG-OE2 3.41Å; S844-V847 PolarHBondContact O-N 2.95Å; S844-A848 WeakPolarHBondContact O-CB 3.4Å; S844-A848 PolarHBondContact O-N 2.85Å | ||
| 845 | F | 94.4 | Very high | 92 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | -175.9 | 172.1 | -100.2 | 0 | 0 | 0 | 112.7 | A848 K849 D867 L870 H871 I874 | F845-A848 PolarHBondContact O-N 3.38Å; F845-K849 HydrophobicContact CE1-CD 4.1Å; F845-K849 HydrophobicContact CZ-CD 3.99Å; F845-K849 VanDerWaalsContact O-CB 3.22Å; F845-K849 WeakPolarHBondContact O-CB 3.38Å; F845-K849 PolarHBondContact O-N 3.02Å; F845-D867 HydrophobicContact CE2-CB 4Å; F845-D867 HydrophobicContact CZ-CB 3.85Å; F845-L870 HydrophobicContact CD2-CB 4.3Å; F845-L870 HydrophobicContact CD2-CD2 3.85Å; F845-L870 HydrophobicContact CD2-CG 4.08Å; F845-L870 HydrophobicContact CE2-CB 4.12Å; F845-L870 HydrophobicContact CE2-CD2 3.81Å; F845-L870 HydrophobicContact CE2-CG 4.25Å; F845-H871 AromaticContact CD2-CD2 3.98Å; F845-H871 AromaticContact CD2-CE1 3.35Å; F845-H871 WeakPolarHBondContact CD2-CE1 3.45Å; F845-H871 AromaticContact CD2-CG 3.97Å; F845-H871 AromaticContact CD2-ND1 3.59Å; F845-H871 AromaticContact CD2-NE2 3.62Å; F845-H871 AromaticContact CE2-CD2 3.63Å; F845-H871 AromaticContact CE2-CE1 3.63Å; F845-H871 AromaticContact CE2-NE2 3.36Å; F845-H871 WeakPolarHBondContact CE2-NE2 3.48Å; F845-H871 AromaticContact CG-CE1 3.58Å; F845-H871 AromaticContact CZ-NE2 3.65Å; F845-I874 VanDerWaalsContact CA-CD1 3.43Å; F845-I874 HydrophobicContact CB-CD1 3.78Å; F845-I874 HydrophobicContact CD2-CD1 4.33Å |
| 846 | E | 95.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 54% | 0.542 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.3 | -47 | -179.4 | -46.8 | 68 | -141.3 | 0 | 0 | 110 | S844 K849 T850 | S844-E846 VanDerWaalsContact C-N 3.31Å; S844-E846 WeakPolarHBondContact CB-OE2 3.49Å; S844-E846 PolarHBondContact O-N 2.95Å; S844-E846 PolarHBondContact OG-OE2 3.41Å; E846-K849 PolarHBondContact O-N 3.17Å; E846-T850 PolarHBondContact O-N 2.99Å; E846-T850 PolarHBondContact O-OG1 3.46Å |
| 847 | V | 93.7 | Very high | 91.3 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 30% | 0.297 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | P843 S844 K849 T850 M851 K895 | P843-V847 HydrophobicContact CB-CB 4Å; P843-V847 HydrophobicContact CB-CG1 3.72Å; P843-V847 HydrophobicContact CG-CB 4.27Å; P843-V847 HydrophobicContact CG-CG1 3.95Å; S844-V847 PolarHBondContact O-N 2.95Å; V847-K849 VanDerWaalsContact C-N 3.29Å; V847-K849 PolarHBondContact O-N 2.67Å; V847-T850 PolarHBondContact O-N 2.95Å; V847-M851 HydrophobicContact CG1-CG 4.36Å; V847-M851 HydrophobicContact CG1-SD 4.08Å; V847-M851 WeakPolarHBondContact O-CB 3.44Å; V847-M851 VanDerWaalsContact O-CG 3.26Å; V847-M851 WeakPolarHBondContact O-CG 3.35Å; V847-M851 PolarHBondContact O-N 3.36Å; V847-K895 HydrophobicContact CG1-CB 4.21Å; V847-K895 HydrophobicContact CG1-CG 4.45Å |
| 848 | A | 90.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 47 Ų | 47 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P843 S844 F845 L852 L870 I874 | P843-A848 HydrophobicContact CG-CB 3.91Å; S844-A848 WeakPolarHBondContact O-CB 3.4Å; S844-A848 PolarHBondContact O-N 2.85Å; F845-A848 PolarHBondContact O-N 3.38Å; A848-L852 WeakPolarHBondContact O-CB 3.42Å; A848-L852 PolarHBondContact O-N 3.16Å; A848-L870 HydrophobicContact CB-CD1 3.72Å; A848-L870 HydrophobicContact CB-CD2 4.06Å; A848-L870 HydrophobicContact CB-CG 4.02Å; A848-I874 HydrophobicContact CB-CD1 4.44Å |
| 849 | K | 91.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 54 Ų | 54 | 27% | 0.265 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.8 | -42.6 | 178.3 | -171.9 | 164.2 | -179.7 | 165.3 | 0 | 111.8 | F845 E846 V847 L852 Q853 D867 L870 | F845-K849 HydrophobicContact CE1-CD 4.1Å; F845-K849 HydrophobicContact CZ-CD 3.99Å; F845-K849 VanDerWaalsContact O-CB 3.22Å; F845-K849 WeakPolarHBondContact O-CB 3.38Å; F845-K849 PolarHBondContact O-N 3.02Å; E846-K849 PolarHBondContact O-N 3.17Å; V847-K849 VanDerWaalsContact C-N 3.29Å; V847-K849 PolarHBondContact O-N 2.67Å; K849-L852 WeakPolarHBondContact O-CB 3.28Å; K849-L852 PolarHBondContact O-N 3.41Å; K849-Q853 WeakPolarHBondContact O-CG 3.46Å; K849-Q853 PolarHBondContact O-N 3.43Å; K849-D867 WeakPolarHBondContact CD-OD1 3.43Å; K849-D867 WeakPolarHBondContact CE-OD1 3.45Å; K849-D867 IonicContact NZ-OD1 3.75Å; K849-D867 PolarHBondContact NZ-OD1 3.29Å; K849-D867 IonicContact NZ-OD2 3.65Å; K849-D867 PolarHBondContact NZ-OD2 2.77Å; K849-L870 HydrophobicContact CB-CD2 3.72Å; K849-L870 HydrophobicContact CG-CD2 4.41Å |
| 850 | T | 92.2 | Very high | 88.1 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 172.4 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | E846 V847 L852 Q853 E854 | E846-T850 PolarHBondContact O-N 2.99Å; E846-T850 PolarHBondContact O-OG1 3.46Å; V847-T850 PolarHBondContact O-N 2.95Å; T850-L852 PolarHBondContact O-N 3.03Å; T850-Q853 PolarHBondContact O-N 2.97Å; T850-Q853 VanDerWaalsContact O-N 3.12Å; T850-E854 HydrophobicContact CG2-CG 4.34Å; T850-E854 WeakPolarHBondContact O-CG 3.48Å; T850-E854 PolarHBondContact O-N 3.15Å |
| 851 | M | 87.9 | Confident | 86.7 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -34.7 | 176.2 | -73.5 | 177.7 | 74.4 | 0 | 0 | 113.1 | P843 V847 G855 N894 | P843-M851 HydrophobicContact CG-SD 4.16Å; V847-M851 HydrophobicContact CG1-CG 4.36Å; V847-M851 HydrophobicContact CG1-SD 4.08Å; V847-M851 WeakPolarHBondContact O-CB 3.44Å; V847-M851 VanDerWaalsContact O-CG 3.26Å; V847-M851 WeakPolarHBondContact O-CG 3.35Å; V847-M851 PolarHBondContact O-N 3.36Å; M851-G855 PolarHBondContact O-N 2.93Å; M851-N894 WeakPolarHBondContact CE-O 3.44Å |
| 852 | L | 85.7 | Confident | 85.5 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.9 | -48.2 | 174.8 | -179.3 | 60.9 | 0 | 0 | 0 | 110.8 | A848 K849 T850 G855 L856 N863 R865 | A848-L852 WeakPolarHBondContact O-CB 3.42Å; A848-L852 PolarHBondContact O-N 3.16Å; K849-L852 WeakPolarHBondContact O-CB 3.28Å; K849-L852 PolarHBondContact O-N 3.41Å; T850-L852 PolarHBondContact O-N 3.03Å; L852-G855 PolarHBondContact O-N 3.43Å; L852-L856 HydrophobicContact CD1-CD1 4.21Å; L852-L856 HydrophobicContact CG-CD1 3.98Å; L852-L856 VanDerWaalsContact O-CD1 3.27Å; L852-L856 WeakPolarHBondContact O-CD1 3.25Å; L852-L856 VanDerWaalsContact O-CG 3.25Å; L852-L856 WeakPolarHBondContact O-CG 3.01Å; L852-L856 PolarHBondContact O-N 2.88Å; L852-N863 WeakPolarHBondContact CD1-O 3.4Å; L852-R865 HydrophobicContact CD2-CB 3.96Å |
| 853 | Q | 87.5 | Confident | 84.3 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.3 | -70.9 | 174 | -6.7 | 0 | 0 | 112.3 | K849 T850 G855 L856 Q857 | K849-Q853 WeakPolarHBondContact O-CG 3.46Å; K849-Q853 PolarHBondContact O-N 3.43Å; T850-Q853 PolarHBondContact O-N 2.97Å; T850-Q853 VanDerWaalsContact O-N 3.12Å; Q853-G855 VanDerWaalsContact C-N 3.34Å; Q853-G855 PolarHBondContact O-N 3Å; Q853-L856 PolarHBondContact O-N 2.7Å; Q853-Q857 WeakPolarHBondContact O-CG 3.46Å; Q853-Q857 PolarHBondContact O-N 3.03Å |
| 854 | E | 85.2 | Confident | 83.5 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 172.4 | -72.3 | 177.3 | 178.4 | 0 | 0 | 111.5 | T850 L856 Q857 A858 | T850-E854 HydrophobicContact CG2-CG 4.34Å; T850-E854 WeakPolarHBondContact O-CG 3.48Å; T850-E854 PolarHBondContact O-N 3.15Å; E854-L856 VanDerWaalsContact C-N 3.3Å; E854-L856 PolarHBondContact O-N 2.68Å; E854-Q857 PolarHBondContact O-N 3.45Å; E854-A858 VanDerWaalsContact O-CB 3.25Å; E854-A858 WeakPolarHBondContact O-CB 3.27Å; E854-A858 PolarHBondContact O-N 2.89Å |
| 855 | G | 80.3 | Confident | 82.9 | Confident | 12 Ų | 12 | 72 Ų | 72 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -31.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | M851 L852 Q853 N859 V860 T861 | M851-G855 PolarHBondContact O-N 2.93Å; L852-G855 PolarHBondContact O-N 3.43Å; Q853-G855 VanDerWaalsContact C-N 3.34Å; Q853-G855 PolarHBondContact O-N 3Å; G855-N859 PolarHBondContact O-N 3.24Å; G855-V860 PolarHBondContact O-N 2.98Å; G855-T861 PolarHBondContact O-N 2.83Å |
| 856 | L | 83.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -74.1 | -50.2 | 172.9 | -69.2 | 153.9 | 0 | 0 | 0 | 110.8 | L852 Q853 E854 A858 N859 T861 M864 | L852-L856 HydrophobicContact CD1-CD1 4.21Å; L852-L856 HydrophobicContact CG-CD1 3.98Å; L852-L856 VanDerWaalsContact O-CD1 3.27Å; L852-L856 WeakPolarHBondContact O-CD1 3.25Å; L852-L856 VanDerWaalsContact O-CG 3.25Å; L852-L856 WeakPolarHBondContact O-CG 3.01Å; L852-L856 PolarHBondContact O-N 2.88Å; Q853-L856 PolarHBondContact O-N 2.7Å; E854-L856 VanDerWaalsContact C-N 3.3Å; E854-L856 PolarHBondContact O-N 2.68Å; L856-A858 VanDerWaalsContact C-N 3.28Å; L856-A858 PolarHBondContact O-N 3.23Å; L856-N859 PolarHBondContact O-N 2.93Å; L856-T861 WeakPolarHBondContact CD2-O 3.38Å; L856-M864 HydrophobicContact CD1-CE 3.46Å; L856-M864 VanDerWaalsContact CD1-CE 3.46Å; L856-M864 HydrophobicContact CD2-CE 4.01Å; L856-M864 HydrophobicContact CD2-CG 4.3Å; L856-M864 HydrophobicContact CD2-SD 4.39Å; L856-M864 HydrophobicContact CG-CE 4.42Å |
| 857 | Q | 84.7 | Confident | 82.5 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | 178 | -71.9 | 174.2 | 5.4 | 0 | 0 | 112.3 | Q853 E854 N859 | Q853-Q857 WeakPolarHBondContact O-CG 3.46Å; Q853-Q857 PolarHBondContact O-N 3.03Å; E854-Q857 PolarHBondContact O-N 3.45Å; Q857-N859 VanDerWaalsContact C-N 3.26Å; Q857-N859 PolarHBondContact O-N 3.41Å |
| 858 | A | 78.6 | Confident | 82.6 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 56% | 0.562 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E854 L856 V860 | E854-A858 VanDerWaalsContact O-CB 3.25Å; E854-A858 WeakPolarHBondContact O-CB 3.27Å; E854-A858 PolarHBondContact O-N 2.89Å; L856-A858 VanDerWaalsContact C-N 3.28Å; L856-A858 PolarHBondContact O-N 3.23Å; A858-V860 HydrophobicContact CB-CG2 3.84Å; A858-V860 PolarHBondContact O-N 3.21Å; A858-V860 VanDerWaalsContact O-N 3.12Å |
| 859 | N | 75.2 | Confident | 82.6 | Confident | 148 Ų | 148 | 77.9 Ų | 77.9 | 79% | 0.791 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 27 | -174.2 | -69 | -76.8 | 0 | 0 | 0 | 114.4 | G855 L856 Q857 | G855-N859 PolarHBondContact O-N 3.24Å; L856-N859 PolarHBondContact O-N 2.93Å; Q857-N859 VanDerWaalsContact C-N 3.26Å; Q857-N859 PolarHBondContact O-N 3.41Å |
| 860 | V | 66.4 | Low | 82.5 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -80.9 | -22.8 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | G855 A858 | G855-V860 PolarHBondContact O-N 2.98Å; A858-V860 HydrophobicContact CB-CG2 3.84Å; A858-V860 PolarHBondContact O-N 3.21Å; A858-V860 VanDerWaalsContact O-N 3.12Å |
| 861 | T | 68 | Low | 82.7 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | trans | -144.1 | 135.8 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | G855 L856 N863 | G855-T861 PolarHBondContact O-N 2.83Å; L856-T861 WeakPolarHBondContact CD2-O 3.38Å; T861-N863 VanDerWaalsContact OG1-CB 3.3Å; T861-N863 WeakPolarHBondContact OG1-CB 3.4Å; T861-N863 PolarHBondContact OG1-N 3.23Å | ||
| 862 | S | 69.6 | Low | 83 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | trans | -94.8 | -1.4 | 166.2 | 55.8 | 0 | 0 | 0 | 0 | 113 | M864 | S862-M864 PolarHBondContact O-N 2.84Š| ||
| 863 | N | 71.5 | Confident | 83.3 | Confident | 51 Ų | 51 | 77.7 Ų | 77.7 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | trans | -75.4 | 88.8 | -178.4 | -171.1 | -34.1 | 0 | 0 | 0 | 109.9 | L852 T861 R865 | L852-N863 WeakPolarHBondContact CD1-O 3.4Å; T861-N863 VanDerWaalsContact OG1-CB 3.3Å; T861-N863 WeakPolarHBondContact OG1-CB 3.4Å; T861-N863 PolarHBondContact OG1-N 3.23Å; N863-R865 PolarHBondContact ND2-NH2 3.48Å | ||
| 864 | M | 76.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | trans | -62.7 | 135 | 165 | -64.8 | -101.6 | 49.9 | 0 | 0 | 109.2 | L856 S862 | L856-M864 HydrophobicContact CD1-CE 3.46Å; L856-M864 VanDerWaalsContact CD1-CE 3.46Å; L856-M864 HydrophobicContact CD2-CE 4.01Å; L856-M864 HydrophobicContact CD2-CG 4.3Å; L856-M864 HydrophobicContact CD2-SD 4.39Å; L856-M864 HydrophobicContact CG-CE 4.42Å; S862-M864 PolarHBondContact O-N 2.84Å | ||
| 865 | R | 82.2 | Confident | 84.2 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 24% | 0.242 | 41% | 0.409 | C | S | . | . | trans | -129 | 153.5 | 171 | -70.2 | -166.8 | -177.8 | 75.8 | 4.1 | 111.4 | L852 N863 E869 | L852-R865 HydrophobicContact CD2-CB 3.96Å; N863-R865 PolarHBondContact ND2-NH2 3.48Å; R865-E869 WeakPolarHBondContact CA-OE2 3.46Å; R865-E869 HydrophobicContact CB-CB 4.29Å; R865-E869 VanDerWaalsContact CB-OE2 3.22Å; R865-E869 WeakPolarHBondContact CB-OE2 3.47Å; R865-E869 WeakPolarHBondContact CG-OE2 3.13Å | ||
| 866 | S | 90.2 | Very high | 84.8 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | trans | -81 | 167.8 | 169 | 90 | 0 | 0 | 0 | 0 | 111.8 | E868 E869 L870 | S866-E868 VanDerWaalsContact C-N 3.28Å; S866-E868 WeakPolarHBondContact CB-OE2 3.43Å; S866-E868 PolarHBondContact OG-N 2.7Å; S866-E868 PolarHBondContact OG-OE2 2.81Å; S866-E869 PolarHBondContact N-OE2 3.15Å; S866-E869 PolarHBondContact O-N 3.29Å; S866-E869 PolarHBondContact OG-N 2.71Å; S866-L870 PolarHBondContact O-N 2.79Å; S866-L870 VanDerWaalsContact O-N 3.17Å | ||
| 867 | D | 92.4 | Very high | 85.4 | Confident | 60 Ų | 60 | 77 Ų | 77 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -33 | 175 | -75.5 | -21.7 | 0 | 0 | 0 | 111.2 | F845 K849 L870 H871 | F845-D867 HydrophobicContact CE2-CB 4Å; F845-D867 HydrophobicContact CZ-CB 3.85Å; K849-D867 WeakPolarHBondContact CD-OD1 3.43Å; K849-D867 WeakPolarHBondContact CE-OD1 3.45Å; K849-D867 IonicContact NZ-OD1 3.75Å; K849-D867 PolarHBondContact NZ-OD1 3.29Å; K849-D867 IonicContact NZ-OD2 3.65Å; K849-D867 PolarHBondContact NZ-OD2 2.77Å; D867-L870 WeakPolarHBondContact O-CB 3.45Å; D867-L870 PolarHBondContact O-N 2.83Å; D867-H871 PolarHBondContact O-CD2 2.92Å; D867-H871 PolarHBondContact O-N 2.79Å |
| 868 | E | 94.1 | Very high | 85.8 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 64% | 0.64 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 176.5 | -56.1 | 72.5 | -157.8 | 0 | 0 | 111.8 | S866 L870 H871 S872 | S866-E868 VanDerWaalsContact C-N 3.28Å; S866-E868 WeakPolarHBondContact CB-OE2 3.43Å; S866-E868 PolarHBondContact OG-N 2.7Å; S866-E868 PolarHBondContact OG-OE2 2.81Å; E868-L870 VanDerWaalsContact C-N 3.27Å; E868-L870 PolarHBondContact O-N 2.94Å; E868-H871 PolarHBondContact O-N 2.82Å; E868-S872 PolarHBondContact O-N 3.49Å |
| 869 | E | 91.1 | Very high | 86.5 | Confident | 98 Ų | 98 | 75 Ų | 75 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 172.8 | -70.7 | -174.4 | 126.3 | 0 | 0 | 111.4 | R865 S866 S872 I873 | R865-E869 WeakPolarHBondContact CA-OE2 3.46Å; R865-E869 HydrophobicContact CB-CB 4.29Å; R865-E869 VanDerWaalsContact CB-OE2 3.22Å; R865-E869 WeakPolarHBondContact CB-OE2 3.47Å; R865-E869 WeakPolarHBondContact CG-OE2 3.13Å; S866-E869 PolarHBondContact N-OE2 3.15Å; S866-E869 PolarHBondContact O-N 3.29Å; S866-E869 PolarHBondContact OG-N 2.71Å; E869-S872 WeakPolarHBondContact O-CB 3.37Å; E869-S872 PolarHBondContact O-N 3.34Å; E869-I873 VanDerWaalsContact O-CG1 3.3Å; E869-I873 WeakPolarHBondContact O-CG1 3.45Å; E869-I873 PolarHBondContact O-N 2.84Å |
| 870 | L | 90.6 | Very high | 87.2 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 178.8 | -162.9 | 63.5 | 0 | 0 | 0 | 111.7 | F845 A848 K849 S866 D867 E868 I873 I874 | F845-L870 HydrophobicContact CD2-CB 4.3Å; F845-L870 HydrophobicContact CD2-CD2 3.85Å; F845-L870 HydrophobicContact CD2-CG 4.08Å; F845-L870 HydrophobicContact CE2-CB 4.12Å; F845-L870 HydrophobicContact CE2-CD2 3.81Å; F845-L870 HydrophobicContact CE2-CG 4.25Å; A848-L870 HydrophobicContact CB-CD1 3.72Å; A848-L870 HydrophobicContact CB-CD2 4.06Å; A848-L870 HydrophobicContact CB-CG 4.02Å; K849-L870 HydrophobicContact CB-CD2 3.72Å; K849-L870 HydrophobicContact CG-CD2 4.41Å; S866-L870 PolarHBondContact O-N 2.79Å; S866-L870 VanDerWaalsContact O-N 3.17Å; D867-L870 WeakPolarHBondContact O-CB 3.45Å; D867-L870 PolarHBondContact O-N 2.83Å; E868-L870 VanDerWaalsContact C-N 3.27Å; E868-L870 PolarHBondContact O-N 2.94Å; L870-I873 PolarHBondContact O-N 2.82Å; L870-I874 WeakPolarHBondContact O-CD1 3.49Å; L870-I874 WeakPolarHBondContact O-CG1 3.35Å; L870-I874 PolarHBondContact O-N 2.73Å |
| 871 | H | 95.9 | Very high | 88.3 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 170.4 | -77.4 | -59.4 | 0 | 0 | 0 | 112.5 | F845 D867 E868 I874 K875 | F845-H871 AromaticContact CD2-CD2 3.98Å; F845-H871 AromaticContact CD2-CE1 3.35Å; F845-H871 WeakPolarHBondContact CD2-CE1 3.45Å; F845-H871 AromaticContact CD2-CG 3.97Å; F845-H871 AromaticContact CD2-ND1 3.59Å; F845-H871 AromaticContact CD2-NE2 3.62Å; F845-H871 AromaticContact CE2-CD2 3.63Å; F845-H871 AromaticContact CE2-CE1 3.63Å; F845-H871 AromaticContact CE2-NE2 3.36Å; F845-H871 WeakPolarHBondContact CE2-NE2 3.48Å; F845-H871 AromaticContact CG-CE1 3.58Å; F845-H871 AromaticContact CZ-NE2 3.65Å; D867-H871 PolarHBondContact O-CD2 2.92Å; D867-H871 PolarHBondContact O-N 2.79Å; E868-H871 PolarHBondContact O-N 2.82Å; H871-I874 PolarHBondContact O-N 3.23Å; H871-K875 WeakPolarHBondContact O-CB 3.4Å; H871-K875 PolarHBondContact O-N 3.09Å |
| 872 | S | 94.3 | Very high | 89.1 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -52.3 | 173 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | E868 E869 I874 K875 D876 | E868-S872 PolarHBondContact O-N 3.49Å; E869-S872 WeakPolarHBondContact O-CB 3.37Å; E869-S872 PolarHBondContact O-N 3.34Å; S872-I874 PolarHBondContact O-N 2.87Å; S872-I874 VanDerWaalsContact O-N 3.1Å; S872-K875 CarbonylContact O-C 3.55Å; S872-K875 WeakPolarHBondContact O-CB 3.47Å; S872-K875 PolarHBondContact O-N 3.02Å; S872-D876 VanDerWaalsContact C-OD2 3.3Å; S872-D876 WeakPolarHBondContact O-CB 3.21Å; S872-D876 PolarHBondContact O-N 2.65Å; S872-D876 PolarHBondContact OG-OD2 3.45Å |
| 873 | I | 92.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.4 | -36.5 | 179.6 | -68.6 | 162.8 | 0 | 0 | 0 | 112 | N735 V737 A842 E869 L870 S877 | N735-I873 WeakPolarHBondContact O-CG2 3.44Å; V737-I873 HydrophobicContact CG1-CG2 3.53Å; A842-I873 HydrophobicContact CB-CG2 4.4Å; E869-I873 VanDerWaalsContact O-CG1 3.3Å; E869-I873 WeakPolarHBondContact O-CG1 3.45Å; E869-I873 PolarHBondContact O-N 2.84Å; L870-I873 PolarHBondContact O-N 2.82Å; I873-S877 WeakPolarHBondContact O-CB 3.39Å; I873-S877 PolarHBondContact O-N 3.38Å |
| 874 | I | 94.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.4 | -45.5 | 177.1 | -70.1 | 164.6 | 0 | 0 | 0 | 111.6 | A842 F845 A848 L870 H871 S872 S877 M878 | A842-I874 HydrophobicContact CB-CG1 3.84Å; F845-I874 VanDerWaalsContact CA-CD1 3.43Å; F845-I874 HydrophobicContact CB-CD1 3.78Å; F845-I874 HydrophobicContact CD2-CD1 4.33Å; A848-I874 HydrophobicContact CB-CD1 4.44Å; L870-I874 WeakPolarHBondContact O-CD1 3.49Å; L870-I874 WeakPolarHBondContact O-CG1 3.35Å; L870-I874 PolarHBondContact O-N 2.73Å; H871-I874 PolarHBondContact O-N 3.23Å; S872-I874 PolarHBondContact O-N 2.87Å; S872-I874 VanDerWaalsContact O-N 3.1Å; I874-S877 VanDerWaalsContact O-CB 3.31Å; I874-S877 WeakPolarHBondContact O-CB 3.41Å; I874-S877 PolarHBondContact O-N 2.9Å; I874-M878 HydrophobicContact CG2-CE 3.93Å; I874-M878 PolarHBondContact O-N 3.02Å; I874-M878 VanDerWaalsContact O-N 3.07Å |
| 875 | K | 95.5 | Very high | 90.6 | Very high | 142 Ų | 142 | 67.7 Ų | 67.7 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 174.5 | -179.8 | -176.5 | 175.8 | -174.6 | 0 | 111.4 | H871 S872 S877 M878 S879 | H871-K875 WeakPolarHBondContact O-CB 3.4Å; H871-K875 PolarHBondContact O-N 3.09Å; S872-K875 CarbonylContact O-C 3.55Å; S872-K875 WeakPolarHBondContact O-CB 3.47Å; S872-K875 PolarHBondContact O-N 3.02Å; K875-S877 VanDerWaalsContact C-N 3.28Å; K875-S877 PolarHBondContact O-N 3.38Å; K875-M878 WeakPolarHBondContact O-CB 3.29Å; K875-M878 PolarHBondContact O-N 2.87Å; K875-M878 VanDerWaalsContact O-N 3.09Å; K875-S879 PolarHBondContact O-N 3.44Å; K875-S879 PolarHBondContact O-OG 3.07Å |
| 876 | D | 94.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.1 | -61.8 | -36.1 | 0 | 0 | 0 | 110.5 | P734 S872 M878 S879 M880 | P734-D876 HydrophobicContact CB-CB 4.27Å; P734-D876 HydrophobicContact CG-CB 4.39Å; S872-D876 VanDerWaalsContact C-OD2 3.3Å; S872-D876 WeakPolarHBondContact O-CB 3.21Å; S872-D876 PolarHBondContact O-N 2.65Å; S872-D876 PolarHBondContact OG-OD2 3.45Å; D876-M878 VanDerWaalsContact C-N 3.35Å; D876-M878 PolarHBondContact O-N 3.01Å; D876-S879 PolarHBondContact O-N 3.35Å; D876-M880 WeakPolarHBondContact O-CB 3.47Å; D876-M880 WeakPolarHBondContact O-CG 3.39Å; D876-M880 PolarHBondContact O-N 3.47Å |
| 877 | S | 94.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | A841 A842 I873 I874 K875 S881 | A841-S877 WeakPolarHBondContact CA-OG 3.37Å; A842-S877 PolarHBondContact N-OG 3.36Å; I873-S877 WeakPolarHBondContact O-CB 3.39Å; I873-S877 PolarHBondContact O-N 3.38Å; I874-S877 VanDerWaalsContact O-CB 3.31Å; I874-S877 WeakPolarHBondContact O-CB 3.41Å; I874-S877 PolarHBondContact O-N 2.9Å; K875-S877 VanDerWaalsContact C-N 3.28Å; K875-S877 PolarHBondContact O-N 3.38Å; S877-S881 VanDerWaalsContact O-CB 3.28Å; S877-S881 WeakPolarHBondContact O-CB 3.42Å; S877-S881 PolarHBondContact O-N 2.91Å; S877-S881 VanDerWaalsContact O-N 3.16Å; S877-S881 PolarHBondContact O-OG 2.96Å |
| 878 | M | 93.7 | Very high | 89.9 | Confident | 125 Ų | 125 | 63.2 Ų | 63.2 | 62% | 0.616 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.4 | -55 | 176.3 | -64.4 | 177.3 | -174.7 | 0 | 0 | 110.2 | I874 K875 D876 M880 S881 V882 | I874-M878 HydrophobicContact CG2-CE 3.93Å; I874-M878 PolarHBondContact O-N 3.02Å; I874-M878 VanDerWaalsContact O-N 3.07Å; K875-M878 WeakPolarHBondContact O-CB 3.29Å; K875-M878 PolarHBondContact O-N 2.87Å; K875-M878 VanDerWaalsContact O-N 3.09Å; D876-M878 VanDerWaalsContact C-N 3.35Å; D876-M878 PolarHBondContact O-N 3.01Å; M878-M880 PolarHBondContact O-N 3.44Å; M878-S881 PolarHBondContact O-N 3.48Å; M878-S881 PolarHBondContact O-OG 2.97Å; M878-V882 PolarHBondContact O-N 3.23Å |
| 879 | S | 92.7 | Very high | 89.3 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 42% | 0.42 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | -178.5 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | K875 D876 S881 V882 I883 | K875-S879 PolarHBondContact O-N 3.44Å; K875-S879 PolarHBondContact O-OG 3.07Å; D876-S879 PolarHBondContact O-N 3.35Å; S879-S881 VanDerWaalsContact C-N 3.33Å; S879-S881 PolarHBondContact O-N 3.05Å; S879-V882 PolarHBondContact O-N 3.34Å; S879-I883 WeakPolarHBondContact O-CD1 3.36Å; S879-I883 VanDerWaalsContact O-CG1 3.31Å; S879-I883 WeakPolarHBondContact O-CG1 3.22Å; S879-I883 PolarHBondContact O-N 3.02Å; S879-I883 VanDerWaalsContact O-N 3.09Å |
| 880 | M | 90.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 178 | -71.1 | -174.4 | 71.9 | 0 | 0 | 112.7 | P734 P822 F839 D876 M878 V882 Y884 | P734-M880 HydrophobicContact CB-SD 4.01Å; P734-M880 HydrophobicContact CG-SD 3.85Å; P822-M880 HydrophobicContact CG-CE 4.06Å; F839-M880 HydrophobicContact CE2-CB 3.87Å; F839-M880 HydrophobicContact CZ-CB 3.92Å; D876-M880 WeakPolarHBondContact O-CB 3.47Å; D876-M880 WeakPolarHBondContact O-CG 3.39Å; D876-M880 PolarHBondContact O-N 3.47Å; M878-M880 PolarHBondContact O-N 3.44Å; M880-V882 VanDerWaalsContact C-N 3.3Å; M880-V882 PolarHBondContact O-N 3.2Å; M880-Y884 HydrophobicContact CB-CD2 3.95Å; M880-Y884 HydrophobicContact CB-CE2 4.24Å; M880-Y884 HydrophobicContact CE-CD2 3.99Å; M880-Y884 HydrophobicContact CE-CE2 3.76Å; M880-Y884 HydrophobicContact CG-CD2 4.25Å; M880-Y884 HydrophobicContact CG-CE2 4.03Å; M880-Y884 WeakPolarHBondContact O-CB 3.24Å; M880-Y884 WeakPolarHBondContact O-CD2 3.44Å; M880-Y884 PolarHBondContact O-N 2.91Å |
| 881 | S | 89.4 | Confident | 89.5 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | S877 M878 S879 R885 Y888 | S877-S881 VanDerWaalsContact O-CB 3.28Å; S877-S881 WeakPolarHBondContact O-CB 3.42Å; S877-S881 PolarHBondContact O-N 2.91Å; S877-S881 VanDerWaalsContact O-N 3.16Å; S877-S881 PolarHBondContact O-OG 2.96Å; M878-S881 PolarHBondContact O-N 3.48Å; M878-S881 PolarHBondContact O-OG 2.97Å; S879-S881 VanDerWaalsContact C-N 3.33Å; S879-S881 PolarHBondContact O-N 3.05Å; S881-R885 WeakPolarHBondContact O-CB 3.22Å; S881-R885 PolarHBondContact O-N 3.16Å; S881-Y888 PolarHBondContact O-OH 2.84Å |
| 882 | V | 84.6 | Confident | 89.5 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 69% | 0.685 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -74.8 | -52.5 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | M878 S879 M880 Y884 R885 | M878-V882 PolarHBondContact O-N 3.23Å; S879-V882 PolarHBondContact O-N 3.34Å; M880-V882 VanDerWaalsContact C-N 3.3Å; M880-V882 PolarHBondContact O-N 3.2Å; V882-Y884 PolarHBondContact O-N 3.33Å; V882-R885 WeakPolarHBondContact O-CB 3.34Å; V882-R885 PolarHBondContact O-N 2.84Å |
| 883 | I | 82.8 | Confident | 89.6 | Confident | 102 Ų | 102 | 58 Ų | 58 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | -174.8 | -66.3 | 165.5 | 0 | 0 | 0 | 111.2 | S879 H886 | S879-I883 WeakPolarHBondContact O-CD1 3.36Å; S879-I883 VanDerWaalsContact O-CG1 3.31Å; S879-I883 WeakPolarHBondContact O-CG1 3.22Å; S879-I883 PolarHBondContact O-N 3.02Å; S879-I883 VanDerWaalsContact O-N 3.09Å; I883-H886 PolarHBondContact O-CE1 3.08Å; I883-H886 VanDerWaalsContact O-CE1 3.24Å; I883-H886 PolarHBondContact O-ND1 2.61Å |
| 884 | Y | 84 | Confident | 89.6 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 16.8 | -175.2 | -57.1 | -62 | 0 | 0 | 0 | 113.6 | P822 M880 V882 H886 L887 Y888 | P822-Y884 HydrophobicContact CB-CD1 3.65Å; P822-Y884 HydrophobicContact CB-CD2 4.32Å; P822-Y884 HydrophobicContact CB-CE1 3.57Å; P822-Y884 HydrophobicContact CB-CE2 4.27Å; P822-Y884 HydrophobicContact CB-CG 4.03Å; P822-Y884 HydrophobicContact CG-CD1 4.14Å; P822-Y884 HydrophobicContact CG-CD2 3.89Å; P822-Y884 HydrophobicContact CG-CE1 4.03Å; P822-Y884 HydrophobicContact CG-CE2 3.79Å; P822-Y884 HydrophobicContact CG-CG 4.06Å; M880-Y884 HydrophobicContact CB-CD2 3.95Å; M880-Y884 HydrophobicContact CB-CE2 4.24Å; M880-Y884 HydrophobicContact CE-CD2 3.99Å; M880-Y884 HydrophobicContact CE-CE2 3.76Å; M880-Y884 HydrophobicContact CG-CD2 4.25Å; M880-Y884 HydrophobicContact CG-CE2 4.03Å; M880-Y884 WeakPolarHBondContact O-CB 3.24Å; M880-Y884 WeakPolarHBondContact O-CD2 3.44Å; M880-Y884 PolarHBondContact O-N 2.91Å; V882-Y884 PolarHBondContact O-N 3.33Å; Y884-H886 PolarHBondContact O-N 2.92Å; Y884-L887 HydrophobicContact CD1-CD1 3.65Å; Y884-L887 HydrophobicContact CG-CD1 4.27Å; Y884-L887 WeakPolarHBondContact O-CB 3.31Å; Y884-L887 PolarHBondContact O-N 2.98Å; Y884-Y888 WeakPolarHBondContact O-CD1 3.08Å; Y884-Y888 WeakPolarHBondContact O-CE1 3.17Å |
| 885 | R | 83.3 | Confident | 89.4 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -54.6 | -30.7 | -175.9 | -178.9 | 57.2 | -172 | 95.2 | 1 | 114.1 | D615 S635 S881 V882 L887 Y888 | D615-R885 IonicContact OD1-NE 2.66Å; D615-R885 IonicContact OD1-NH2 2.75Å; S635-R885 VanDerWaalsContact CB-CZ 3.42Å; S635-R885 PolarHBondContact O-NH2 3.42Å; S635-R885 PolarHBondContact OG-NH1 2.76Å; S881-R885 WeakPolarHBondContact O-CB 3.22Å; S881-R885 PolarHBondContact O-N 3.16Å; V882-R885 WeakPolarHBondContact O-CB 3.34Å; V882-R885 PolarHBondContact O-N 2.84Å; R885-L887 VanDerWaalsContact C-N 3.35Å; R885-Y888 WeakPolarHBondContact CD-OH 3.32Å; R885-Y888 PolarHBondContact NH1-O 2.66Å |
| 886 | H | 78.8 | Confident | 89.2 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -78.5 | -13.6 | 179.5 | 61.5 | -88.1 | 0 | 0 | 0 | 114.2 | L613 W713 I883 Y884 | L613-H886 HydrophobicContact CB-CB 4.32Å; L613-H886 VanDerWaalsContact O-CA 3.26Å; L613-H886 WeakPolarHBondContact O-CA 3.46Å; L613-H886 WeakPolarHBondContact O-CB 3.22Å; W713-H886 HydrophobicContact CB-CB 4.31Å; I883-H886 PolarHBondContact O-CE1 3.08Å; I883-H886 VanDerWaalsContact O-CE1 3.24Å; I883-H886 PolarHBondContact O-ND1 2.61Å; Y884-H886 PolarHBondContact O-N 2.92Å |
| 887 | L | 82.2 | Confident | 88.9 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -92.2 | -9.9 | -178.1 | -62.2 | -176.9 | 0 | 0 | 0 | 114 | W713 I732 P822 L825 V837 Y884 R885 | W713-L887 HydrophobicContact CE3-CD2 3.94Å; W713-L887 HydrophobicContact CH2-CD2 3.98Å; W713-L887 HydrophobicContact CZ3-CD2 3.54Å; I732-L887 HydrophobicContact CD1-CB 4.33Å; P822-L887 HydrophobicContact CB-CD1 3.86Å; L825-L887 HydrophobicContact CD2-CB 3.85Å; L825-L887 HydrophobicContact CD2-CD1 4.37Å; V837-L887 WeakPolarHBondContact CB-O 3.32Å; V837-L887 WeakPolarHBondContact CG1-O 3.35Å; Y884-L887 HydrophobicContact CD1-CD1 3.65Å; Y884-L887 HydrophobicContact CG-CD1 4.27Å; Y884-L887 WeakPolarHBondContact O-CB 3.31Å; Y884-L887 PolarHBondContact O-N 2.98Å; R885-L887 VanDerWaalsContact C-N 3.35Å |
| 888 | Y | 88 | Confident | 88.7 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -133.4 | 144.5 | -174.2 | 66.4 | -101.2 | 0 | 0 | 0 | 114.7 | I732 F839 S881 Y884 R885 H890 I891 | I732-Y888 HydrophobicContact CD1-CD1 4.11Å; F839-Y888 HydrophobicContact CB-CD1 3.63Å; F839-Y888 HydrophobicContact CB-CD2 3.83Å; F839-Y888 HydrophobicContact CB-CE1 3.75Å; F839-Y888 HydrophobicContact CB-CE2 4.01Å; F839-Y888 HydrophobicContact CB-CG 3.64Å; F839-Y888 AromaticContact CD2-CD1 3.87Å; F839-Y888 HydrophobicContact CD2-CD1 3.87Å; F839-Y888 AromaticContact CD2-CE1 3.62Å; F839-Y888 HydrophobicContact CD2-CE1 3.62Å; F839-Y888 HydrophobicContact CE2-CE1 4.41Å; F839-Y888 HydrophobicContact CG-CD1 4.07Å; F839-Y888 AromaticContact CG-CE1 3.79Å; F839-Y888 HydrophobicContact CG-CE1 3.79Å; S881-Y888 PolarHBondContact O-OH 2.84Å; Y884-Y888 WeakPolarHBondContact O-CD1 3.08Å; Y884-Y888 WeakPolarHBondContact O-CE1 3.17Å; R885-Y888 WeakPolarHBondContact CD-OH 3.32Å; R885-Y888 PolarHBondContact NH1-O 2.66Å; Y888-H890 WeakPolarHBondContact CD2-O 3.38Å; Y888-I891 HydrophobicContact CD2-CG1 4.07Å; Y888-I891 HydrophobicContact CE2-CD1 3.78Å; Y888-I891 HydrophobicContact CE2-CG1 3.38Å | ||
| 889 | S | 82.6 | Confident | 88.7 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -96.7 | -19.3 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | V837 | V837-S889 PolarHBondContact O-N 3.5Å; V837-S889 PolarHBondContact O-OG 3.45Å |
| 890 | H | 91.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.7 | -174.3 | -55.4 | -49.9 | 0 | 0 | 0 | 112.3 | V837 V838 F839 Y888 L907 | V837-H890 PolarHBondContact O-N 3.4Å; V838-H890 WeakPolarHBondContact CA-O 3.37Å; V838-H890 HydrophobicContact CG1-CB 4.4Å; V838-H890 HydrophobicContact CG2-CB 4.26Å; F839-H890 PolarHBondContact N-O 3.14Å; Y888-H890 WeakPolarHBondContact CD2-O 3.38Å; H890-L907 HydrophobicContact CB-CD2 4.13Å |
| 891 | I | 93.6 | Very high | 89.1 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.3 | 173.4 | -58.3 | 176.1 | 0 | 0 | 0 | 108.9 | F839 A841 Y888 | F839-I891 CarbonylContact O-C 3.58Å; F839-I891 WeakPolarHBondContact O-CA 3.29Å; A841-I891 HydrophobicContact CB-CG2 4.1Å; Y888-I891 HydrophobicContact CD2-CG1 4.07Å; Y888-I891 HydrophobicContact CE2-CD1 3.78Å; Y888-I891 HydrophobicContact CE2-CG1 3.38Å |
| 892 | L | 96.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 104.2 | 172.4 | 175.4 | 59.5 | 0 | 0 | 0 | 109.6 | L742 V838 F839 V840 A841 N894 K903 L904 | L742-L892 HydrophobicContact CD1-CD2 4.2Å; V838-L892 HydrophobicContact CG1-CB 3.72Å; F839-L892 PolarHBondContact O-N 3.49Å; V840-L892 CarbonylContact C-O 3.59Å; V840-L892 WeakPolarHBondContact CA-O 3.41Å; A841-L892 PolarHBondContact N-O 2.83Å; L892-N894 PolarHBondContact O-N 3.41Å; L892-K903 HydrophobicContact CD1-CB 4.16Å; L892-K903 HydrophobicContact CD1-CD 3.97Å; L892-L904 HydrophobicContact CD2-CD1 4.01Å; L892-L904 HydrophobicContact CD2-CD2 3.73Å; L892-L904 HydrophobicContact CD2-CG 3.65Å |
| 893 | V | 96.1 | Very high | 90 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.4 | 169.6 | -174.4 | 0 | 0 | 0 | 0 | 108 | A841 P843 K895 | A841-V893 HydrophobicContact CB-CG2 4.2Å; P843-V893 HydrophobicContact CB-CG1 4.07Å; V893-K895 HydrophobicContact CG1-CG 3.94Å; V893-K895 PolarHBondContact O-N 3.15Å |
| 894 | N | 91.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -79.1 | 82.2 | -175.4 | -174.6 | 12.7 | 0 | 0 | 0 | 110.8 | V737 V840 A841 P843 M851 L892 N896 S900 | V737-N894 PolarHBondContact O-ND2 2.99Å; V840-N894 HydrophobicContact CG1-CB 3.99Å; A841-N894 PolarHBondContact O-N 2.96Å; A841-N894 VanDerWaalsContact O-N 3.13Å; P843-N894 WeakPolarHBondContact CG-O 3.33Å; M851-N894 WeakPolarHBondContact CE-O 3.44Å; L892-N894 PolarHBondContact O-N 3.41Å; N894-N896 PolarHBondContact OD1-O 3.28Å; N894-S900 PolarHBondContact OD1-OG 3.35Å | ||
| 895 | K | 91.2 | Very high | 91.4 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -87.7 | -22.8 | 177.1 | -62.5 | -172.7 | 179.1 | -174.1 | 0 | 114.1 | P843 V847 V893 | P843-K895 HydrophobicContact CB-CG 4.01Å; V847-K895 HydrophobicContact CG1-CB 4.21Å; V847-K895 HydrophobicContact CG1-CG 4.45Å; V893-K895 HydrophobicContact CG1-CG 3.94Å; V893-K895 PolarHBondContact O-N 3.15Å |
| 896 | N | 91 | Very high | 92 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -152.4 | 134.8 | 174.9 | 178.7 | -82.5 | 0 | 0 | 0 | 108.9 | N894 K898 E899 S900 | N894-N896 PolarHBondContact OD1-O 3.28Å; N896-K898 PolarHBondContact OD1-N 3.38Å; N896-E899 HydrophobicContact CB-CB 3.95Å; N896-E899 PolarHBondContact OD1-N 2.85Å; N896-S900 WeakPolarHBondContact O-CB 3.32Å; N896-S900 PolarHBondContact O-N 3.01Å; N896-S900 PolarHBondContact O-OG 3.49Å | ||
| 897 | M | 87.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | -171.9 | -171.1 | 64.6 | 61.6 | 0 | 0 | 112.8 | N741 L742 L745 V901 | N741-M897 HydrophobicContact CB-CE 3.86Å; N741-M897 HydrophobicContact CB-SD 3.81Å; L742-M897 HydrophobicContact CD2-SD 3.58Å; L742-M897 VanDerWaalsContact CD2-SD 3.58Å; L742-M897 HydrophobicContact CG-SD 3.97Å; L745-M897 HydrophobicContact CD1-CG 3.42Å; L745-M897 VanDerWaalsContact CD1-CG 3.42Å; L745-M897 HydrophobicContact CD1-SD 4.2Å; M897-V901 VanDerWaalsContact O-CG2 3.31Å; M897-V901 WeakPolarHBondContact O-CG2 3.28Å; M897-V901 PolarHBondContact O-N 3.05Å |
| 898 | K | 90.6 | Very high | 93.4 | Very high | 126 Ų | 126 | 52 Ų | 52 | 55% | 0.548 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.1 | -50.1 | 178.9 | -177.1 | -168.4 | 173.9 | -159.5 | 0 | 110.7 | N896 S900 V901 E902 | N896-K898 PolarHBondContact OD1-N 3.38Å; K898-S900 VanDerWaalsContact C-N 3.25Å; K898-S900 PolarHBondContact O-N 2.81Å; K898-V901 PolarHBondContact O-N 3.19Å; K898-V901 VanDerWaalsContact O-N 3.13Å; K898-E902 WeakPolarHBondContact CE-OE1 3.5Å; K898-E902 IonicContact NZ-OE1 3.73Å; K898-E902 PolarHBondContact O-N 2.83Å |
| 899 | E | 94.6 | Very high | 93.8 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 179.6 | -164.3 | -143.7 | -170 | 0 | 0 | 111.5 | N896 E902 K903 | N896-E899 HydrophobicContact CB-CB 3.95Å; N896-E899 PolarHBondContact OD1-N 2.85Å; E899-E902 PolarHBondContact O-N 3.47Å; E899-K903 HydrophobicContact CG-CD 4.46Å; E899-K903 WeakPolarHBondContact O-CB 3.06Å; E899-K903 WeakPolarHBondContact O-CG 3.35Å; E899-K903 PolarHBondContact O-N 2.79Å; E899-K903 WeakPolarHBondContact OE1-CE 3.42Å; E899-K903 IonicContact OE1-NZ 2.7Å; E899-K903 PolarHBondContact OE1-NZ 2.85Å; E899-K903 IonicContact OE2-NZ 2.71Å; E899-K903 PolarHBondContact OE2-NZ 3.3Å |
| 900 | S | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.9 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | L742 N894 N896 K898 K903 L904 | L742-S900 VanDerWaalsContact CD2-CB 3.47Å; N894-S900 PolarHBondContact OD1-OG 3.35Å; N896-S900 WeakPolarHBondContact O-CB 3.32Å; N896-S900 PolarHBondContact O-N 3.01Å; N896-S900 PolarHBondContact O-OG 3.49Å; K898-S900 VanDerWaalsContact C-N 3.25Å; K898-S900 PolarHBondContact O-N 2.81Å; S900-K903 PolarHBondContact O-N 2.76Å; S900-L904 WeakPolarHBondContact O-CG 3.5Å; S900-L904 PolarHBondContact O-N 2.89Å |
| 901 | V | 95.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L742 L745 L746 Y749 M897 K898 K903 L904 S905 | L742-V901 HydrophobicContact CD2-CG2 3.86Å; L745-V901 HydrophobicContact CB-CG1 4.39Å; L745-V901 HydrophobicContact CB-CG2 3.61Å; L745-V901 HydrophobicContact CD1-CG2 3.91Å; L745-V901 HydrophobicContact CG-CG2 4.42Å; L746-V901 HydrophobicContact CB-CG1 4.03Å; L746-V901 HydrophobicContact CD1-CG1 3.88Å; Y749-V901 HydrophobicContact CD2-CG1 3.73Å; Y749-V901 HydrophobicContact CE2-CG1 4.2Å; M897-V901 VanDerWaalsContact O-CG2 3.31Å; M897-V901 WeakPolarHBondContact O-CG2 3.28Å; M897-V901 PolarHBondContact O-N 3.05Å; K898-V901 PolarHBondContact O-N 3.19Å; K898-V901 VanDerWaalsContact O-N 3.13Å; V901-K903 VanDerWaalsContact C-N 3.33Å; V901-K903 PolarHBondContact O-N 2.64Å; V901-L904 PolarHBondContact O-N 2.77Å; V901-S905 PolarHBondContact O-N 2.86Å |
| 902 | E | 96.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 173.5 | -61.6 | 179.7 | -164.9 | 0 | 0 | 111.9 | K898 E899 S905 R906 | K898-E902 WeakPolarHBondContact CE-OE1 3.5Å; K898-E902 IonicContact NZ-OE1 3.73Å; K898-E902 PolarHBondContact O-N 2.83Å; E899-E902 PolarHBondContact O-N 3.47Å; E902-S905 PolarHBondContact O-N 3.24Å; E902-R906 WeakPolarHBondContact O-CB 3.48Å; E902-R906 WeakPolarHBondContact O-CG 3.13Å; E902-R906 PolarHBondContact O-N 2.95Å; E902-R906 IonicContact OE2-CZ 2.75Å; E902-R906 VanDerWaalsContact OE2-CZ 3.25Å; E902-R906 IonicContact OE2-NH1 2.72Å; E902-R906 PolarHBondContact OE2-NH1 3.08Å; E902-R906 IonicContact OE2-NH2 3.25Å; E902-R906 PolarHBondContact OE2-NH2 2.84Å |
| 903 | K | 97.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 59 Ų | 59 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.6 | -78 | 169.4 | 176.5 | 169 | 0 | 111.9 | L892 E899 S900 V901 R906 L907 | L892-K903 HydrophobicContact CD1-CB 4.16Å; L892-K903 HydrophobicContact CD1-CD 3.97Å; E899-K903 HydrophobicContact CG-CD 4.46Å; E899-K903 WeakPolarHBondContact O-CB 3.06Å; E899-K903 WeakPolarHBondContact O-CG 3.35Å; E899-K903 PolarHBondContact O-N 2.79Å; E899-K903 WeakPolarHBondContact OE1-CE 3.42Å; E899-K903 IonicContact OE1-NZ 2.7Å; E899-K903 PolarHBondContact OE1-NZ 2.85Å; E899-K903 IonicContact OE2-NZ 2.71Å; E899-K903 PolarHBondContact OE2-NZ 3.3Å; S900-K903 PolarHBondContact O-N 2.76Å; V901-K903 VanDerWaalsContact C-N 3.33Å; V901-K903 PolarHBondContact O-N 2.64Å; K903-R906 PolarHBondContact O-N 2.79Å; K903-L907 WeakPolarHBondContact O-CB 3.42Å; K903-L907 PolarHBondContact O-N 2.93Å |
| 904 | L | 97.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.1 | -71.7 | 172.4 | 0 | 0 | 0 | 112.1 | L731 L742 L746 V838 L892 S900 V901 L907 V908 | L731-L904 HydrophobicContact CD1-CD1 4.26Å; L731-L904 HydrophobicContact CD2-CD1 4.11Å; L731-L904 HydrophobicContact CD2-CD2 3.88Å; L742-L904 HydrophobicContact CB-CD1 4.08Å; L742-L904 HydrophobicContact CD1-CD1 4.48Å; L746-L904 HydrophobicContact CD2-CB 4.14Å; L746-L904 HydrophobicContact CD2-CD1 4.49Å; V838-L904 HydrophobicContact CB-CD2 4.41Å; V838-L904 HydrophobicContact CG1-CD2 4.2Å; V838-L904 HydrophobicContact CG2-CD2 4.05Å; L892-L904 HydrophobicContact CD2-CD1 4.01Å; L892-L904 HydrophobicContact CD2-CD2 3.73Å; L892-L904 HydrophobicContact CD2-CG 3.65Å; S900-L904 WeakPolarHBondContact O-CG 3.5Å; S900-L904 PolarHBondContact O-N 2.89Å; V901-L904 PolarHBondContact O-N 2.77Å; L904-L907 PolarHBondContact O-N 3.28Å; L904-V908 PolarHBondContact O-N 3.47Å |
| 905 | S | 97.2 | Very high | 93 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | E750 R753 V901 E902 L907 V908 S909 | E750-S905 WeakPolarHBondContact OE2-CB 3.29Å; E750-S905 PolarHBondContact OE2-OG 3.35Å; R753-S905 PolarHBondContact NH1-OG 3.07Å; V901-S905 PolarHBondContact O-N 2.86Å; E902-S905 PolarHBondContact O-N 3.24Å; S905-L907 VanDerWaalsContact C-N 3.32Å; S905-L907 PolarHBondContact O-N 2.92Å; S905-V908 PolarHBondContact O-N 3.13Å; S905-S909 VanDerWaalsContact O-CB 3.23Å; S905-S909 WeakPolarHBondContact O-CB 3.49Å; S905-S909 PolarHBondContact O-N 3.34Å; S905-S909 PolarHBondContact O-OG 3.21Å |
| 906 | R | 96.8 | Very high | 92.7 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 175 | -73.8 | 172 | -174.6 | 120 | 11.1 | 112.1 | E902 K903 K910 | E902-R906 WeakPolarHBondContact O-CB 3.48Å; E902-R906 WeakPolarHBondContact O-CG 3.13Å; E902-R906 PolarHBondContact O-N 2.95Å; E902-R906 IonicContact OE2-CZ 2.75Å; E902-R906 VanDerWaalsContact OE2-CZ 3.25Å; E902-R906 IonicContact OE2-NH1 2.72Å; E902-R906 PolarHBondContact OE2-NH1 3.08Å; E902-R906 IonicContact OE2-NH2 3.25Å; E902-R906 PolarHBondContact OE2-NH2 2.84Å; K903-R906 PolarHBondContact O-N 2.79Å; R906-K910 WeakPolarHBondContact O-CB 3.4Å; R906-K910 PolarHBondContact O-N 3.1Å |
| 907 | L | 95.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -54.8 | 176.5 | 173.3 | 61.4 | 0 | 0 | 0 | 111.7 | V838 H890 K903 L904 S905 S909 K910 L911 | V838-L907 HydrophobicContact CG2-CD2 3.75Å; H890-L907 HydrophobicContact CB-CD2 4.13Å; K903-L907 WeakPolarHBondContact O-CB 3.42Å; K903-L907 PolarHBondContact O-N 2.93Å; L904-L907 PolarHBondContact O-N 3.28Å; S905-L907 VanDerWaalsContact C-N 3.32Å; S905-L907 PolarHBondContact O-N 2.92Å; L907-S909 VanDerWaalsContact C-N 3.32Å; L907-S909 PolarHBondContact O-N 2.95Å; L907-K910 WeakPolarHBondContact O-CB 3.2Å; L907-K910 PolarHBondContact O-N 3.27Å; L907-L911 HydrophobicContact CD1-CD1 4.11Å; L907-L911 HydrophobicContact CD1-CG 4.3Å; L907-L911 HydrophobicContact CG-CD1 4.22Å; L907-L911 WeakPolarHBondContact O-CG 3.38Å; L907-L911 PolarHBondContact O-N 3.09Å |
| 908 | V | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110 | V726 L729 F754 L904 S905 K910 L911 E912 | V726-V908 HydrophobicContact CB-CG1 4.12Å; V726-V908 HydrophobicContact CG2-CG1 4.14Å; L729-V908 HydrophobicContact CD1-CG2 4.17Å; L729-V908 HydrophobicContact CD2-CG2 4.06Å; F754-V908 HydrophobicContact CE1-CB 4.22Å; F754-V908 HydrophobicContact CE1-CG1 4.04Å; F754-V908 HydrophobicContact CE1-CG2 4.06Å; F754-V908 HydrophobicContact CZ-CB 4.09Å; F754-V908 HydrophobicContact CZ-CG1 4.07Å; F754-V908 HydrophobicContact CZ-CG2 4.33Å; L904-V908 PolarHBondContact O-N 3.47Å; S905-V908 PolarHBondContact O-N 3.13Å; V908-K910 PolarHBondContact O-N 3.03Å; V908-K910 VanDerWaalsContact O-N 3.08Å; V908-L911 PolarHBondContact O-N 3.25Å; V908-L911 VanDerWaalsContact O-N 3.1Å; V908-E912 HydrophobicContact CG1-CG 4.13Å; V908-E912 WeakPolarHBondContact O-CG 3.16Å; V908-E912 PolarHBondContact O-N 3.34Å |
| 909 | S | 95.2 | Very high | 92 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -19.7 | 177 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | R753 S905 L907 R913 | R753-S909 PolarHBondContact NH1-OG 3.47Å; R753-S909 VanDerWaalsContact NH1-OG 3.11Å; R753-S909 PolarHBondContact NH2-OG 3.45Å; S905-S909 VanDerWaalsContact O-CB 3.23Å; S905-S909 WeakPolarHBondContact O-CB 3.49Å; S905-S909 PolarHBondContact O-N 3.34Å; S905-S909 PolarHBondContact O-OG 3.21Å; L907-S909 VanDerWaalsContact C-N 3.32Å; L907-S909 PolarHBondContact O-N 2.95Å; S909-R913 VanDerWaalsContact O-CZ 3.25Å; S909-R913 PolarHBondContact O-NE 2.87Å; S909-R913 PolarHBondContact O-NH2 3.48Å |
| 910 | K | 94 | Very high | 91.1 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81.5 | -48.8 | 173 | 177.8 | -174.4 | 173.9 | -175.1 | 0 | 110.2 | R906 L907 V908 E912 R913 Q914 | R906-K910 WeakPolarHBondContact O-CB 3.4Å; R906-K910 PolarHBondContact O-N 3.1Å; L907-K910 WeakPolarHBondContact O-CB 3.2Å; L907-K910 PolarHBondContact O-N 3.27Å; V908-K910 PolarHBondContact O-N 3.03Å; V908-K910 VanDerWaalsContact O-N 3.08Å; K910-E912 VanDerWaalsContact C-N 3.3Å; K910-E912 PolarHBondContact O-N 3.2Å; K910-R913 PolarHBondContact O-N 2.98Å; K910-R913 VanDerWaalsContact O-N 3.13Å; K910-Q914 WeakPolarHBondContact O-CG 3.33Å; K910-Q914 PolarHBondContact O-N 3.43Å |
| 911 | L | 90 | Very high | 89.9 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 178.2 | -64.5 | 169.5 | 0 | 0 | 0 | 111.4 | V726 C836 L907 V908 R913 Q914 | V726-L911 HydrophobicContact CG2-CB 3.87Å; V726-L911 HydrophobicContact CG2-CD1 4.32Å; C836-L911 HydrophobicContact CB-CD1 4.24Å; C836-L911 WeakPolarHBondContact SG-CD1 3.38Å; L907-L911 HydrophobicContact CD1-CD1 4.11Å; L907-L911 HydrophobicContact CD1-CG 4.3Å; L907-L911 HydrophobicContact CG-CD1 4.22Å; L907-L911 WeakPolarHBondContact O-CG 3.38Å; L907-L911 PolarHBondContact O-N 3.09Å; V908-L911 PolarHBondContact O-N 3.25Å; V908-L911 VanDerWaalsContact O-N 3.1Å; L911-R913 PolarHBondContact O-N 3.27Å; L911-R913 VanDerWaalsContact O-N 3.12Å; L911-Q914 PolarHBondContact O-N 3.23Å |
| 912 | E | 91.6 | Very high | 89.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.5 | 177.8 | -68.2 | -174.2 | 114.5 | 0 | 0 | 114.7 | S724 V726 R753 V908 K910 | S724-E912 WeakPolarHBondContact O-CA 3.38Å; V726-E912 HydrophobicContact CG2-CG 4.16Å; R753-E912 IonicContact CZ-OE2 3.82Å; R753-E912 IonicContact NH2-OE2 2.74Å; R753-E912 PolarHBondContact NH2-OE2 2.93Å; V908-E912 HydrophobicContact CG1-CG 4.13Å; V908-E912 WeakPolarHBondContact O-CG 3.16Å; V908-E912 PolarHBondContact O-N 3.34Å; K910-E912 VanDerWaalsContact C-N 3.3Å; K910-E912 PolarHBondContact O-N 3.2Å |
| 913 | R | 90.9 | Very high | 88 | Confident | 168 Ų | 168 | 54.4 Ų | 54.4 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 0.7 | -178.1 | -79.4 | -179.9 | -69.7 | 154 | 2.7 | 114.1 | S909 K910 L911 | S909-R913 VanDerWaalsContact O-CZ 3.25Å; S909-R913 PolarHBondContact O-NE 2.87Å; S909-R913 PolarHBondContact O-NH2 3.48Å; K910-R913 PolarHBondContact O-N 2.98Å; K910-R913 VanDerWaalsContact O-N 3.13Å; L911-R913 PolarHBondContact O-N 3.27Å; L911-R913 VanDerWaalsContact O-N 3.12Å |
| 914 | Q | 85.1 | Confident | 86.5 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -125.4 | 136.7 | -172.4 | -67.2 | -172.8 | -28.6 | 0 | 0 | 110 | K910 L911 C916 | K910-Q914 WeakPolarHBondContact O-CG 3.33Å; K910-Q914 PolarHBondContact O-N 3.43Å; L911-Q914 PolarHBondContact O-N 3.23Å; Q914-C916 PolarHBondContact O-N 2.79Å |
| 915 | P | 84 | Confident | 85.1 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | trans | -54.2 | 134.8 | 164.6 | -23 | 34 | 0 | 0 | 0 | 109.7 | W721 | W721-P915 CarbonylContact O-C 3.56Å; W721-P915 VanDerWaalsContact O-CA 3.22Å; W721-P915 WeakPolarHBondContact O-CA 3.31Å; W721-P915 WeakPolarHBondContact O-CB 3.43Å | ||
| 916 | C | 85 | Confident | 83.9 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -176.1 | -176.3 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | W721 Q914 | W721-C916 PolarHBondContact N-O 3.46Å; W721-C916 PolarHBondContact O-N 2.98Å; Q914-C916 PolarHBondContact O-N 2.79Å |
| 917 | W | 87.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.4 | 171.5 | -68.1 | 91.1 | 0 | 0 | 0 | 108.3 | Y609 R611 V638 L655 V718 V719 P720 | Y609-W917 AromaticContact CD1-CH2 3.74Å; Y609-W917 HydrophobicContact CD1-CH2 3.74Å; Y609-W917 HydrophobicContact CD1-CZ3 4.06Å; Y609-W917 AromaticContact CD2-CH2 3.99Å; Y609-W917 HydrophobicContact CD2-CH2 3.99Å; Y609-W917 AromaticContact CD2-CZ3 3.69Å; Y609-W917 HydrophobicContact CD2-CZ3 3.69Å; Y609-W917 HydrophobicContact CE1-CH2 4.04Å; Y609-W917 HydrophobicContact CE2-CH2 4.29Å; Y609-W917 HydrophobicContact CE2-CZ3 4.33Å; Y609-W917 AromaticContact CG-CH2 3.69Å; Y609-W917 HydrophobicContact CG-CH2 3.69Å; Y609-W917 AromaticContact CG-CZ3 3.52Å; Y609-W917 HydrophobicContact CG-CZ3 3.52Å; R611-W917 PolarHBondContact NH2-O 3.42Å; V638-W917 HydrophobicContact CB-CD2 4.38Å; V638-W917 HydrophobicContact CG1-CD2 3.92Å; V638-W917 HydrophobicContact CG1-CE3 3.94Å; V638-W917 HydrophobicContact CG1-CH2 4.17Å; V638-W917 HydrophobicContact CG1-CZ2 4.16Å; V638-W917 HydrophobicContact CG1-CZ3 4.06Å; V638-W917 HydrophobicContact CG2-CB 4.37Å; V638-W917 HydrophobicContact CG2-CD2 4.15Å; V638-W917 HydrophobicContact CG2-CG 3.91Å; L655-W917 HydrophobicContact CD1-CH2 3.91Å; L655-W917 HydrophobicContact CD1-CZ2 3.54Å; V718-W917 HydrophobicContact CB-CB 4.36Å; V718-W917 HydrophobicContact CB-CE3 4.11Å; V718-W917 HydrophobicContact CG2-CB 4.47Å; V718-W917 HydrophobicContact CG2-CD2 4.32Å; V718-W917 HydrophobicContact CG2-CE3 3.64Å; V718-W917 HydrophobicContact CG2-CZ3 4.28Å; V719-W917 VanDerWaalsContact C-CE3 3.4Å; V719-W917 WeakPolarHBondContact O-CA 3.2Å; P720-W917 HydrophobicContact CB-CE3 4.43Å; P720-W917 HydrophobicContact CB-CH2 4.28Å; P720-W917 HydrophobicContact CB-CZ3 4.21Å; P720-W917 HydrophobicContact CG-CZ3 4.35Å |
| 918 | I | 82.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 155.3 | 172.6 | 66.3 | 171.4 | 0 | 0 | 0 | 110.1 | V718 V719 W721 C920 W922 A923 L926 | V718-I918 CarbonylContact C-O 3.59Å; V718-I918 WeakPolarHBondContact CA-O 3.39Å; V718-I918 VanDerWaalsContact CB-O 3.27Å; V718-I918 WeakPolarHBondContact CB-O 3.4Å; V719-I918 HydrophobicContact CG2-CD1 4.46Å; V719-I918 HydrophobicContact CG2-CG1 3.88Å; V719-I918 PolarHBondContact N-O 2.83Å; V719-I918 PolarHBondContact O-N 2.82Å; V719-I918 VanDerWaalsContact O-N 3.08Å; W721-I918 HydrophobicContact CB-CD1 4.22Å; W721-I918 HydrophobicContact CB-CG1 4.05Å; W721-I918 HydrophobicContact CB-CG2 3.9Å; W721-I918 HydrophobicContact CD2-CD1 3.49Å; W721-I918 VanDerWaalsContact CD2-CD1 3.49Å; W721-I918 HydrophobicContact CD2-CG1 4.29Å; W721-I918 HydrophobicContact CE3-CD1 3.35Å; W721-I918 HydrophobicContact CE3-CG1 4.21Å; W721-I918 HydrophobicContact CG-CD1 3.89Å; W721-I918 HydrophobicContact CG-CG1 4.25Å; W721-I918 HydrophobicContact CG-CG2 4Å; W721-I918 HydrophobicContact CZ3-CD1 3.92Å; I918-C920 PolarHBondContact O-N 3.22Å; I918-W922 HydrophobicContact CB-CE3 4.48Å; I918-W922 HydrophobicContact CD1-CB 4.2Å; I918-A923 HydrophobicContact CD1-CB 3.85Å; I918-L926 HydrophobicContact CD1-CD1 3.94Å |
| 919 | P | 83.8 | Confident | 79.4 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.071 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 136.7 | 170.1 | -22.5 | 35.1 | 0 | 0 | 0 | 110.9 | E716 E717 G921 W922 | E716-P919 HydrophobicContact CG-CB 4.26Å; E716-P919 HydrophobicContact CG-CG 4.44Å; E716-P919 VanDerWaalsContact OE1-CG 3.23Å; E716-P919 WeakPolarHBondContact OE1-CG 3.29Å; E717-P919 CarbonylContact O-C 3.53Å; E717-P919 WeakPolarHBondContact O-CA 3.44Å; P919-G921 VanDerWaalsContact C-N 3.29Å; P919-G921 PolarHBondContact O-N 2.8Å; P919-W922 HydrophobicContact CB-CD2 4.09Å; P919-W922 HydrophobicContact CB-CG 4.11Å; P919-W922 VanDerWaalsContact CD-CE3 3.41Å; P919-W922 HydrophobicContact CG-CD2 3.73Å; P919-W922 HydrophobicContact CG-CE3 3.92Å; P919-W922 HydrophobicContact CG-CG 4.28Å; P919-W922 HydrophobicContact CG-CH2 3.93Å; P919-W922 HydrophobicContact CG-CZ2 3.8Å; P919-W922 HydrophobicContact CG-CZ3 3.99Å; P919-W922 WeakPolarHBondContact O-CB 3.43Å; P919-W922 PolarHBondContact O-N 3.29Å |
| 920 | C | 76.9 | Confident | 77.5 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 34% | 0.338 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -43 | -170.6 | -174 | 0 | 0 | 0 | 0 | 112.7 | E717 V719 I918 W922 A923 | E717-C920 HydrophobicContact CB-CB 4.36Å; E717-C920 HydrophobicContact CG-CB 4.02Å; E717-C920 PolarHBondContact O-N 2.84Å; V719-C920 HydrophobicContact CG1-CB 4.16Å; I918-C920 PolarHBondContact O-N 3.22Å; C920-W922 PolarHBondContact O-N 3.03Å; C920-A923 WeakPolarHBondContact O-CB 3.49Å; C920-A923 PolarHBondContact O-N 3.44Å |
| 921 | G | 69.4 | Low | 75.5 | Confident | 59 Ų | 59 | 71 Ų | 71 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P919 | P919-G921 VanDerWaalsContact C-N 3.29Å; P919-G921 PolarHBondContact O-N 2.8Å |
| 922 | W | 80.5 | Confident | 73.8 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78.5 | -23.1 | 178.8 | -65.2 | 6.5 | 0 | 0 | 0 | 112.7 | H829 P831 N834 I918 P919 C920 Y924 E925 L926 | H829-W922 AromaticContact CE1-CH2 3.82Å; H829-W922 AromaticContact CE1-CZ2 3.54Å; H829-W922 AromaticContact ND1-CZ2 3.59Å; H829-W922 AromaticContact NE2-CH2 3.81Å; H829-W922 WeakPolarHBondContact O-CZ2 3.47Å; P831-W922 HydrophobicContact CB-CB 3.9Å; P831-W922 HydrophobicContact CB-CD2 3.99Å; P831-W922 HydrophobicContact CB-CE3 4.47Å; P831-W922 HydrophobicContact CB-CG 3.71Å; P831-W922 HydrophobicContact CG-CG 4.19Å; N834-W922 HydrophobicContact CB-CE3 4.49Å; N834-W922 HydrophobicContact CB-CZ3 4.1Å; N834-W922 WeakPolarHBondContact OD1-CZ3 3.36Å; I918-W922 HydrophobicContact CB-CE3 4.48Å; I918-W922 HydrophobicContact CD1-CB 4.2Å; P919-W922 HydrophobicContact CB-CD2 4.09Å; P919-W922 HydrophobicContact CB-CG 4.11Å; P919-W922 VanDerWaalsContact CD-CE3 3.41Å; P919-W922 HydrophobicContact CG-CD2 3.73Å; P919-W922 HydrophobicContact CG-CE3 3.92Å; P919-W922 HydrophobicContact CG-CG 4.28Å; P919-W922 HydrophobicContact CG-CH2 3.93Å; P919-W922 HydrophobicContact CG-CZ2 3.8Å; P919-W922 HydrophobicContact CG-CZ3 3.99Å; P919-W922 WeakPolarHBondContact O-CB 3.43Å; P919-W922 PolarHBondContact O-N 3.29Å; C920-W922 PolarHBondContact O-N 3.03Å; W922-Y924 VanDerWaalsContact C-N 3.34Å; W922-Y924 PolarHBondContact O-N 2.83Å; W922-E925 PolarHBondContact O-N 3.33Å; W922-L926 HydrophobicContact CB-CD1 4.09Å; W922-L926 WeakPolarHBondContact O-CB 3.23Å; W922-L926 WeakPolarHBondContact O-CG 3.4Å; W922-L926 PolarHBondContact O-N 2.8Å |
| 923 | A | 70.9 | Confident | 72 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -33.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V719 W721 I918 C920 S927 | V719-A923 HydrophobicContact CG2-CB 3.61Å; W721-A923 HydrophobicContact CE3-CB 4.31Å; W721-A923 HydrophobicContact CZ3-CB 3.95Å; I918-A923 HydrophobicContact CD1-CB 3.85Å; C920-A923 WeakPolarHBondContact O-CB 3.49Å; C920-A923 PolarHBondContact O-N 3.44Å; A923-S927 WeakPolarHBondContact O-CB 3.47Å; A923-S927 PolarHBondContact O-N 3.02Å |
| 924 | Y | 66.3 | Low | 70.4 | Confident | 159 Ų | 159 | 67.3 Ų | 67.3 | 62% | 0.624 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.3 | -51.3 | 173.4 | 179.8 | -103.4 | 0 | 0 | 0 | 110.7 | W922 S927 I928 | W922-Y924 VanDerWaalsContact C-N 3.34Å; W922-Y924 PolarHBondContact O-N 2.83Å; Y924-S927 WeakPolarHBondContact O-CB 3.26Å; Y924-S927 PolarHBondContact O-N 3.36Å; Y924-S927 VanDerWaalsContact O-N 3.14Å; Y924-S927 PolarHBondContact O-OG 2.94Å; Y924-I928 HydrophobicContact CD1-CD1 4.42Å; Y924-I928 HydrophobicContact CE1-CD1 3.99Å |
| 925 | E | 67.1 | Low | 69 | Low | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.6 | -38.8 | -175.1 | -57.5 | -171.8 | 174.6 | 0 | 0 | 112.9 | P831 W922 S927 I928 F940 P942 G943 S945 S948 | P831-E925 VanDerWaalsContact CG-OE2 3.3Å; P831-E925 WeakPolarHBondContact CG-OE2 3.18Å; W922-E925 PolarHBondContact O-N 3.33Å; E925-S927 PolarHBondContact O-N 2.87Å; E925-I928 PolarHBondContact O-N 2.82Å; E925-F940 HydrophobicContact CB-CZ 4.31Å; E925-P942 HydrophobicContact CB-CB 4.3Å; E925-G943 WeakPolarHBondContact OE2-CA 3.11Å; E925-G943 PolarHBondContact OE2-N 2.9Å; E925-S945 WeakPolarHBondContact OE1-CB 3.38Å; E925-S945 PolarHBondContact OE1-OG 3.14Å; E925-S948 WeakPolarHBondContact OE1-CB 3.34Å; E925-S948 PolarHBondContact OE1-OG 3.32Å; E925-S948 PolarHBondContact OE2-OG 2.91Å |
| 926 | L | 72.1 | Confident | 68 | Low | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.1 | -11.9 | 174.3 | -68.9 | 176.9 | 0 | 0 | 0 | 113.4 | W721 P831 I918 W922 P942 | W721-L926 HydrophobicContact CH2-CB 3.7Å; W721-L926 HydrophobicContact CZ2-CB 3.5Å; P831-L926 HydrophobicContact CB-CD1 4.38Å; P831-L926 HydrophobicContact CB-CD2 4.23Å; P831-L926 HydrophobicContact CB-CG 4.04Å; I918-L926 HydrophobicContact CD1-CD1 3.94Å; W922-L926 HydrophobicContact CB-CD1 4.09Å; W922-L926 WeakPolarHBondContact O-CB 3.23Å; W922-L926 WeakPolarHBondContact O-CG 3.4Å; W922-L926 PolarHBondContact O-N 2.8Å; L926-P942 HydrophobicContact CD2-CB 4.09Å; L926-P942 HydrophobicContact CD2-CG 4.21Å |
| 927 | S | 68.5 | Low | 66.9 | Low | 75 Ų | 75 | 71.3 Ų | 71.3 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -84.6 | -16.5 | 171.5 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | A923 Y924 E925 P929 | A923-S927 WeakPolarHBondContact O-CB 3.47Å; A923-S927 PolarHBondContact O-N 3.02Å; Y924-S927 WeakPolarHBondContact O-CB 3.26Å; Y924-S927 PolarHBondContact O-N 3.36Å; Y924-S927 VanDerWaalsContact O-N 3.14Å; Y924-S927 PolarHBondContact O-OG 2.94Å; E925-S927 PolarHBondContact O-N 2.87Å; S927-P929 WeakPolarHBondContact O-CD 3.44Å |
| 928 | I | 64.8 | Low | 65.6 | Low | 43 Ų | 43 | 69.9 Ų | 69.9 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -75.7 | 124.2 | 176.8 | -62.2 | 170.5 | 0 | 0 | 0 | 108.4 | Y924 E925 Y930 F940 | Y924-I928 HydrophobicContact CD1-CD1 4.42Å; Y924-I928 HydrophobicContact CE1-CD1 3.99Å; E925-I928 PolarHBondContact O-N 2.82Å; I928-Y930 PolarHBondContact O-N 2.99Å; I928-F940 HydrophobicContact CB-CD1 3.9Å; I928-F940 HydrophobicContact CB-CE1 3.7Å; I928-F940 HydrophobicContact CB-CZ 4.31Å; I928-F940 HydrophobicContact CD1-CE1 3.93Å; I928-F940 HydrophobicContact CD1-CE2 4.02Å; I928-F940 HydrophobicContact CD1-CZ 3.62Å; I928-F940 HydrophobicContact CG1-CE1 4.38Å; I928-F940 HydrophobicContact CG2-CB 4.45Å; I928-F940 HydrophobicContact CG2-CD1 3.5Å; I928-F940 VanDerWaalsContact CG2-CD1 3.5Å; I928-F940 HydrophobicContact CG2-CD2 4.46Å; I928-F940 HydrophobicContact CG2-CE1 3.81Å; I928-F940 HydrophobicContact CG2-CG 3.87Å; I928-F940 HydrophobicContact CG2-CZ 4.42Å |
| 929 | P | 60.1 | Low | 64.6 | Low | 86 Ų | 86 | 74 Ų | 74 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | trans | -60.6 | 134.8 | 179 | -24.6 | 34.6 | 0 | 0 | 0 | 111.9 | S927 R931 S932 | S927-P929 WeakPolarHBondContact O-CD 3.44Å; P929-R931 PolarHBondContact O-N 3.17Å; P929-S932 WeakPolarHBondContact O-CB 3.48Å; P929-S932 PolarHBondContact O-N 3.44Å | ||
| 930 | Y | 55.6 | Low | 63.5 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 0.2 | 179.1 | -149 | -87.8 | 0 | 0 | 0 | 114.8 | I928 | I928-Y930 PolarHBondContact O-N 2.99Š|
| 931 | R | 52.5 | Low | 62.8 | Low | 241 Ų | 241 | 74 Ų | 74 | 91% | 0.909 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -2.1 | 172.6 | -94.1 | -166.2 | 179.4 | -144.5 | 2.1 | 114.1 | P929 T933 | P929-R931 PolarHBondContact O-N 3.17Å; R931-T933 PolarHBondContact O-N 2.78Å |
| 932 | S | 55.1 | Low | 62.3 | Low | 51 Ų | 51 | 71.5 Ų | 71.5 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 128.3 | 165.2 | -75.6 | 0 | 0 | 0 | 0 | 108.7 | P929 F940 | P929-S932 WeakPolarHBondContact O-CB 3.48Å; P929-S932 PolarHBondContact O-N 3.44Å; S932-F940 VanDerWaalsContact O-CB 3.23Å; S932-F940 WeakPolarHBondContact O-CB 3.28Å; S932-F940 PolarHBondContact O-N 2.65Å |
| 933 | T | 52.5 | Low | 61 | Low | 99 Ų | 99 | 70.7 Ų | 70.7 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | B | Isolated β-bridge | trans | -82.8 | 139.1 | 169.1 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | R931 S938 | R931-T933 PolarHBondContact O-N 2.78Å; T933-S938 CarbonylContact C-O 3.6Å; T933-S938 VanDerWaalsContact CA-O 3.25Å; T933-S938 WeakPolarHBondContact CA-O 3.47Å |
| 934 | C | 57.3 | Low | 59.9 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 169.1 | 161.4 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | D936 G937 S938 | C934-D936 WeakPolarHBondContact CB-OD1 3.39Å; C934-D936 PolarHBondContact O-N 3.12Å; C934-D936 VanDerWaalsContact O-N 3.12Å; C934-G937 PolarHBondContact O-N 3.07Å; C934-S938 WeakPolarHBondContact CB-OG 3.24Å; C934-S938 PolarHBondContact N-O 2.86Å |
| 935 | T | 56.9 | Low | 58.7 | Low | 162 Ų | 162 | 65.4 Ų | 65.4 | 99% | 0.994 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.9 | -178.7 | 46.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 936 | D | 61.5 | Low | 57.3 | Low | 104 Ų | 104 | 70.7 Ų | 70.7 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -0 | 173.4 | 58.9 | 11.3 | 0 | 0 | 0 | 113.6 | C934 S938 | C934-D936 WeakPolarHBondContact CB-OD1 3.39Å; C934-D936 PolarHBondContact O-N 3.12Å; C934-D936 VanDerWaalsContact O-N 3.12Å; D936-S938 VanDerWaalsContact C-N 3.33Å; D936-S938 VanDerWaalsContact OD1-CB 3.25Å; D936-S938 WeakPolarHBondContact OD1-CB 3.37Å; D936-S938 PolarHBondContact OD1-N 3.36Å; D936-S938 PolarHBondContact OD1-OG 3.04Å; D936-S938 PolarHBondContact OD2-OG 2.79Å |
| 937 | G | 62.8 | Low | 55.5 | Low | 51 Ų | 51 | 75.3 Ų | 75.3 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 84.1 | -2.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C934 | C934-G937 PolarHBondContact O-N 3.07Š|
| 938 | S | 61.2 | Low | 54 | Low | 43 Ų | 43 | 72.8 Ų | 72.8 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 153.5 | 174.1 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | T933 C934 D936 | T933-S938 CarbonylContact C-O 3.6Å; T933-S938 VanDerWaalsContact CA-O 3.25Å; T933-S938 WeakPolarHBondContact CA-O 3.47Å; C934-S938 WeakPolarHBondContact CB-OG 3.24Å; C934-S938 PolarHBondContact N-O 2.86Å; D936-S938 VanDerWaalsContact C-N 3.33Å; D936-S938 VanDerWaalsContact OD1-CB 3.25Å; D936-S938 WeakPolarHBondContact OD1-CB 3.37Å; D936-S938 PolarHBondContact OD1-N 3.36Å; D936-S938 PolarHBondContact OD1-OG 3.04Å; D936-S938 PolarHBondContact OD2-OG 2.79Å |
| 939 | P | 61.8 | Low | 52.3 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -65.6 | 134.9 | 173.2 | -16.7 | 30.9 | 0 | 0 | 0 | 110.8 | I941 | P939-I941 PolarHBondContact O-N 3.4Å |
| 940 | F | 59.5 | Low | 51.1 | Low | 22 Ų | 22 | 71.4 Ų | 71.4 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 123.8 | 173.2 | 178.4 | -97.4 | 0 | 0 | 0 | 111.3 | E925 I928 S932 P942 | E925-F940 HydrophobicContact CB-CZ 4.31Å; I928-F940 HydrophobicContact CB-CD1 3.9Å; I928-F940 HydrophobicContact CB-CE1 3.7Å; I928-F940 HydrophobicContact CB-CZ 4.31Å; I928-F940 HydrophobicContact CD1-CE1 3.93Å; I928-F940 HydrophobicContact CD1-CE2 4.02Å; I928-F940 HydrophobicContact CD1-CZ 3.62Å; I928-F940 HydrophobicContact CG1-CE1 4.38Å; I928-F940 HydrophobicContact CG2-CB 4.45Å; I928-F940 HydrophobicContact CG2-CD1 3.5Å; I928-F940 VanDerWaalsContact CG2-CD1 3.5Å; I928-F940 HydrophobicContact CG2-CD2 4.46Å; I928-F940 HydrophobicContact CG2-CE1 3.81Å; I928-F940 HydrophobicContact CG2-CG 3.87Å; I928-F940 HydrophobicContact CG2-CZ 4.42Å; S932-F940 VanDerWaalsContact O-CB 3.23Å; S932-F940 WeakPolarHBondContact O-CB 3.28Å; S932-F940 PolarHBondContact O-N 2.65Å; F940-P942 HydrophobicContact CD1-CG 4.46Å; F940-P942 HydrophobicContact CE1-CB 4.34Å; F940-P942 HydrophobicContact CE1-CG 4Å |
| 941 | I | 62.7 | Low | 49.9 | Very low | 39 Ų | 39 | 68.3 Ų | 68.3 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | trans | -108.9 | 117.1 | 174.7 | -59.8 | 173.2 | 0 | 0 | 0 | 107.5 | E832 P939 G943 S944 | E832-I941 HydrophobicContact CB-CG2 4.22Å; E832-I941 HydrophobicContact CG-CG2 4.45Å; E832-I941 WeakPolarHBondContact OE2-CG2 3.17Å; P939-I941 PolarHBondContact O-N 3.4Å; I941-G943 PolarHBondContact O-N 3Å; I941-S944 VanDerWaalsContact O-CB 3.27Å; I941-S944 WeakPolarHBondContact O-CB 3.39Å; I941-S944 PolarHBondContact O-N 3.06Å; I941-S944 PolarHBondContact O-OG 3.49Å | ||
| 942 | P | 58.8 | Low | 49 | Very low | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.045 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.1 | 172 | -23.3 | 33 | 0 | 0 | 0 | 110.2 | P831 E832 E925 L926 F940 | P831-P942 HydrophobicContact CB-CB 4.07Å; P831-P942 HydrophobicContact CG-CB 4.36Å; E832-P942 WeakPolarHBondContact CB-O 3.3Å; E832-P942 VanDerWaalsContact CG-O 3.26Å; E832-P942 WeakPolarHBondContact CG-O 3.37Å; E832-P942 PolarHBondContact N-O 3.37Å; E925-P942 HydrophobicContact CB-CB 4.3Å; L926-P942 HydrophobicContact CD2-CB 4.09Å; L926-P942 HydrophobicContact CD2-CG 4.21Å; F940-P942 HydrophobicContact CD1-CG 4.46Å; F940-P942 HydrophobicContact CE1-CB 4.34Å; F940-P942 HydrophobicContact CE1-CG 4Å |
| 943 | G | 52.8 | Low | 47.9 | Very low | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -15 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | E925 I941 S945 S948 | E925-G943 WeakPolarHBondContact OE2-CA 3.11Å; E925-G943 PolarHBondContact OE2-N 2.9Å; I941-G943 PolarHBondContact O-N 3Å; G943-S945 VanDerWaalsContact C-N 3.27Å; G943-S945 PolarHBondContact O-N 3.43Å; G943-S948 VanDerWaalsContact CA-OG 3.26Å; G943-S948 WeakPolarHBondContact CA-OG 3.46Å; G943-S948 PolarHBondContact O-OG 2.99Å |
| 944 | S | 48.6 | Very low | 47.5 | Very low | 39 Ų | 39 | 60 Ų | 60 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | trans | -82.8 | 4.7 | 174.7 | 86.9 | 0 | 0 | 0 | 0 | 114 | I941 L955 | I941-S944 VanDerWaalsContact O-CB 3.27Å; I941-S944 WeakPolarHBondContact O-CB 3.39Å; I941-S944 PolarHBondContact O-N 3.06Å; I941-S944 PolarHBondContact O-OG 3.49Å; S944-L955 WeakPolarHBondContact O-CD1 3.42Å | ||
| 945 | S | 40.8 | Very low | 46.3 | Very low | 30 Ų | 30 | 62.3 Ų | 62.3 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -85.1 | 159.6 | 178.1 | 109.9 | 0 | 0 | 0 | 0 | 111.3 | E925 G943 L947 S948 | E925-S945 WeakPolarHBondContact OE1-CB 3.38Å; E925-S945 PolarHBondContact OE1-OG 3.14Å; G943-S945 VanDerWaalsContact C-N 3.27Å; G943-S945 PolarHBondContact O-N 3.43Å; S945-L947 PolarHBondContact O-N 2.82Å; S945-L947 WeakPolarHBondContact OG-CB 3.32Å; S945-L947 PolarHBondContact OG-N 3.15Å; S945-S948 PolarHBondContact N-OG 3.45Å; S945-S948 PolarHBondContact O-N 3.2Å; S945-S948 PolarHBondContact O-OG 2.72Å |
| 946 | S | 38.2 | Very low | 45.1 | Very low | 112 Ų | 112 | 57.6 Ų | 57.6 | 78% | 0.783 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.3 | 174.9 | 51 | 0 | 0 | 0 | 0 | 113.5 | ||
| 947 | L | 33 | Very low | 43.6 | Very low | 142 Ų | 142 | 57.8 Ų | 57.8 | 74% | 0.743 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -80.4 | -21.9 | 176.7 | -59.5 | 171.1 | 0 | 0 | 0 | 112.5 | S945 | S945-L947 PolarHBondContact O-N 2.82Å; S945-L947 WeakPolarHBondContact OG-CB 3.32Å; S945-L947 PolarHBondContact OG-N 3.15Å |
| 948 | S | 37.5 | Very low | 42.2 | Very low | 22 Ų | 22 | 60.6 Ų | 60.6 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -107.9 | 20.1 | -174.9 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | E925 G943 S945 L950 | E925-S948 WeakPolarHBondContact OE1-CB 3.34Å; E925-S948 PolarHBondContact OE1-OG 3.32Å; E925-S948 PolarHBondContact OE2-OG 2.91Å; G943-S948 VanDerWaalsContact CA-OG 3.26Å; G943-S948 WeakPolarHBondContact CA-OG 3.46Å; G943-S948 PolarHBondContact O-OG 2.99Å; S945-S948 PolarHBondContact N-OG 3.45Å; S945-S948 PolarHBondContact O-N 3.2Å; S945-S948 PolarHBondContact O-OG 2.72Å; S948-L950 VanDerWaalsContact C-N 3.29Å; S948-L950 PolarHBondContact O-N 2.66Å |
| 949 | A | 30 | Very low | 40.8 | Very low | 37 Ų | 37 | 62.6 Ų | 62.6 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | trans | -72.2 | 57 | -156.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | L706 G951 | L706-A949 HydrophobicContact CD2-CB 4.15Å; A949-G951 PolarHBondContact O-N 2.73Å | ||
| 950 | L | 34.7 | Very low | 39.6 | Very low | 63 Ų | 63 | 63.6 Ų | 63.6 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | trans | -73.9 | 84.1 | 143.6 | -68.1 | 172.4 | 0 | 0 | 0 | 107.3 | H826 Q830 S948 I952 | H826-L950 WeakPolarHBondContact O-CD1 3.27Å; Q830-L950 HydrophobicContact CG-CD1 4.26Å; Q830-L950 PolarHBondContact NE2-O 3.26Å; S948-L950 VanDerWaalsContact C-N 3.29Å; S948-L950 PolarHBondContact O-N 2.66Å; L950-I952 PolarHBondContact O-N 3.12Å | ||
| 951 | G | 30.4 | Very low | 38.4 | Very low | 41 Ų | 41 | 66 Ų | 66 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | trans | -64.6 | 114.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A949 A963 | A949-G951 PolarHBondContact O-N 2.73Å; G951-A963 WeakPolarHBondContact O-CB 3.49Å | ||
| 952 | I | 32.9 | Very low | 37.1 | Very low | 33 Ų | 33 | 66.4 Ų | 66.4 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | trans | -120.2 | 143.1 | 173 | -71.7 | 149.9 | 0 | 0 | 0 | 107.5 | F803 L950 | F803-I952 HydrophobicContact CB-CG2 4.4Å; F803-I952 HydrophobicContact CD1-CD1 4.3Å; F803-I952 HydrophobicContact CD1-CG2 4.3Å; F803-I952 HydrophobicContact CD2-CG2 3.57Å; F803-I952 HydrophobicContact CE1-CD1 3.57Å; F803-I952 HydrophobicContact CE1-CG1 4.31Å; F803-I952 HydrophobicContact CE1-CG2 4.46Å; F803-I952 HydrophobicContact CE2-CD1 4.13Å; F803-I952 HydrophobicContact CE2-CG1 3.98Å; F803-I952 HydrophobicContact CE2-CG2 3.79Å; F803-I952 HydrophobicContact CG-CG2 3.86Å; F803-I952 HydrophobicContact CZ-CD1 3.48Å; F803-I952 VanDerWaalsContact CZ-CD1 3.48Å; F803-I952 HydrophobicContact CZ-CG1 3.81Å; F803-I952 HydrophobicContact CZ-CG2 4.23Å; L950-I952 PolarHBondContact O-N 3.12Å | ||
| 953 | H | 32.8 | Very low | 36 | Very low | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -72.6 | 137.1 | -159.9 | -96.9 | -141.8 | 0 | 0 | 0 | 115.9 | S785 | S785-H953 WeakPolarHBondContact O-CB 3.44Å; S785-H953 PolarHBondContact O-CD2 3.49Å; S785-H953 PolarHBondContact O-ND1 3.33Å |
| 954 | D | 43.7 | Very low | 35 | Very low | 134 Ų | 134 | 69 Ų | 69 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | trans | -177.9 | -18.4 | 142.6 | -94.1 | -32.5 | 0 | 0 | 0 | 110.9 | ||||
| 955 | L | 31.8 | Very low | 34.3 | Very low | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -66.7 | 158.1 | -176.2 | -75.6 | 166.9 | 0 | 0 | 0 | 115.9 | S944 R960 | S944-L955 WeakPolarHBondContact O-CD1 3.42Å; L955-R960 PolarHBondContact O-NE 3.05Å; L955-R960 PolarHBondContact O-NH2 3.21Å |
| 956 | P | 31.7 | Very low | 34 | Very low | 63 Ų | 63 | 70.8 Ų | 70.8 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | trans | -64.2 | 165.1 | -170.5 | 23 | -34.4 | 0 | 0 | 0 | 115.4 | S958 | P956-S958 VanDerWaalsContact C-N 3.27Å; P956-S958 PolarHBondContact O-N 3.42Å; P956-S958 VanDerWaalsContact O-N 3.08Å | ||
| 957 | P | 30.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 66.4 Ų | 66.4 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -59.1 | -28 | -165.1 | -27.9 | 36.4 | 0 | 0 | 0 | 116.3 | S959 | P957-S959 PolarHBondContact O-N 3.44Å; P957-S959 VanDerWaalsContact O-N 3.13Å |
| 958 | S | 32.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 65 Ų | 65 | 77% | 0.769 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -67.3 | -9.2 | -172.5 | 50.1 | 0 | 0 | 0 | 0 | 116 | P956 | P956-S958 VanDerWaalsContact C-N 3.27Å; P956-S958 PolarHBondContact O-N 3.42Å; P956-S958 VanDerWaalsContact O-N 3.08Å |
| 959 | S | 32.6 | Very low | 34.6 | Very low | 86 Ų | 86 | 69.2 Ų | 69.2 | 60% | 0.601 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -125.6 | 5.6 | -167 | -56.1 | 0 | 0 | 0 | 0 | 115.1 | P957 S961 | P957-S959 PolarHBondContact O-N 3.44Å; P957-S959 VanDerWaalsContact O-N 3.13Å; S959-S961 PolarHBondContact O-N 3.41Å |
| 960 | R | 36 | Very low | 35.7 | Very low | 107 Ų | 107 | 68 Ų | 68 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | trans | -81.8 | -7.1 | -165.6 | -62.5 | -178 | 175.1 | -170.6 | -7.5 | 116.4 | L955 S962 L964 | L955-R960 PolarHBondContact O-NE 3.05Å; L955-R960 PolarHBondContact O-NH2 3.21Å; R960-S962 PolarHBondContact O-N 3.32Å; R960-L964 HydrophobicContact CB-CD1 4.27Å | ||
| 961 | S | 33.2 | Very low | 37.1 | Very low | 74 Ų | 74 | 70.6 Ų | 70.6 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.2 | -155.9 | -169.1 | 0 | 0 | 0 | 0 | 117 | N150 S959 | N150-S961 PolarHBondContact ND2-O 3.33Å; S959-S961 PolarHBondContact O-N 3.41Å |
| 962 | S | 36.3 | Very low | 38.6 | Very low | 47 Ų | 47 | 69.1 Ų | 69.1 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -16.6 | -164.6 | 56.3 | 0 | 0 | 0 | 0 | 116.6 | R960 | R960-S962 PolarHBondContact O-N 3.32Š|
| 963 | A | 35 | Very low | 40.3 | Very low | 27 Ų | 27 | 69.9 Ų | 69.9 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -32.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G951 S965 R966 | G951-A963 WeakPolarHBondContact O-CB 3.49Å; A963-S965 VanDerWaalsContact C-N 3.27Å; A963-S965 PolarHBondContact O-N 3.36Å; A963-R966 PolarHBondContact O-N 3.03Å |
| 964 | L | 31.9 | Very low | 42.2 | Very low | 44 Ų | 44 | 73.1 Ų | 73.1 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -53.3 | -39.6 | -175.8 | -88.1 | 164.7 | 0 | 0 | 0 | 113.6 | K784 R960 R966 S967 | K784-L964 VanDerWaalsContact O-CD2 3.29Å; K784-L964 WeakPolarHBondContact O-CD2 3.45Å; R960-L964 HydrophobicContact CB-CD1 4.27Å; L964-R966 PolarHBondContact O-N 3.1Å; L964-S967 WeakPolarHBondContact O-CB 3.44Å; L964-S967 PolarHBondContact O-N 2.85Å |
| 965 | S | 34.5 | Very low | 43.6 | Very low | 19 Ų | 19 | 71.4 Ų | 71.4 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -67.1 | -6.3 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | V149 A963 | V149-S965 WeakPolarHBondContact O-CB 3.34Å; A963-S965 VanDerWaalsContact C-N 3.27Å; A963-S965 PolarHBondContact O-N 3.36Å |
| 966 | R | 35.7 | Very low | 45.7 | Very low | 88 Ų | 88 | 67.6 Ų | 67.6 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -97.7 | -8.7 | 170 | -68.2 | -173.9 | -178.1 | 152.3 | 5.5 | 114 | L706 A963 L964 V968 I969 | L706-R966 PolarHBondContact O-NH1 2.88Å; L706-R966 PolarHBondContact O-NH2 2.96Å; L706-R966 VanDerWaalsContact O-NH2 3.14Å; A963-R966 PolarHBondContact O-N 3.03Å; L964-R966 PolarHBondContact O-N 3.1Å; R966-V968 PolarHBondContact O-N 2.91Å; R966-I969 HydrophobicContact CB-CD1 4.42Å; R966-I969 HydrophobicContact CG-CD1 4.45Å; R966-I969 WeakPolarHBondContact O-CB 3.44Å; R966-I969 PolarHBondContact O-N 3Å; R966-I969 VanDerWaalsContact O-N 3.08Å |
| 967 | S | 35.4 | Very low | 48.1 | Very low | 20 Ų | 20 | 64.6 Ų | 64.6 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -56.8 | -31.8 | 173 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | V783 G786 L964 I969 S970 | V783-S967 PolarHBondContact O-OG 3.25Å; G786-S967 WeakPolarHBondContact CA-OG 3.21Å; L964-S967 WeakPolarHBondContact O-CB 3.44Å; L964-S967 PolarHBondContact O-N 2.85Å; S967-I969 PolarHBondContact O-N 3.48Å; S967-S970 WeakPolarHBondContact O-CB 3.42Å; S967-S970 PolarHBondContact O-N 3.23Å; S967-S970 PolarHBondContact O-OG 3.47Å |
| 968 | V | 37.1 | Very low | 50.6 | Low | 111 Ų | 111 | 61.6 Ų | 61.6 | 67% | 0.673 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -52.5 | -23.8 | 175.8 | -169 | 0 | 0 | 0 | 0 | 113.6 | R966 S970 | R966-V968 PolarHBondContact O-N 2.91Å; V968-S970 VanDerWaalsContact C-N 3.32Å |
| 969 | I | 47.4 | Very low | 53.2 | Low | 111 Ų | 111 | 57.5 Ų | 57.5 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -82 | -9.6 | -179.8 | -54.1 | 173.6 | 0 | 0 | 0 | 112.1 | R966 S967 E971 | R966-I969 HydrophobicContact CB-CD1 4.42Å; R966-I969 HydrophobicContact CG-CD1 4.45Å; R966-I969 WeakPolarHBondContact O-CB 3.44Å; R966-I969 PolarHBondContact O-N 3Å; R966-I969 VanDerWaalsContact O-N 3.08Å; S967-I969 PolarHBondContact O-N 3.48Å; I969-E971 PolarHBondContact O-N 3.17Å |
| 970 | S | 52.6 | Low | 55.7 | Low | 12 Ų | 12 | 53.6 Ų | 53.6 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -86.9 | 3.7 | -175.2 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | W791 S967 V968 A972 | W791-S970 VanDerWaalsContact CD1-OG 3.28Å; W791-S970 PolarHBondContact N-O 3.19Å; W791-S970 PolarHBondContact NE1-O 3.04Å; W791-S970 PolarHBondContact NE1-OG 3.13Å; S967-S970 WeakPolarHBondContact O-CB 3.42Å; S967-S970 PolarHBondContact O-N 3.23Å; S967-S970 PolarHBondContact O-OG 3.47Å; V968-S970 VanDerWaalsContact C-N 3.32Å; S970-A972 PolarHBondContact O-N 3.4Å |
| 971 | E | 64.8 | Low | 58.1 | Low | 117 Ų | 117 | 49.2 Ų | 49.2 | 55% | 0.547 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 102.5 | 166.6 | -169.8 | 165.8 | -158.9 | 0 | 0 | 109.4 | W791 I969 | W791-E971 HydrophobicContact CE3-CG 4.42Å; W791-E971 HydrophobicContact CH2-CB 3.68Å; W791-E971 HydrophobicContact CH2-CG 3.72Å; W791-E971 HydrophobicContact CZ2-CB 3.61Å; W791-E971 HydrophobicContact CZ2-CG 4.16Å; W791-E971 HydrophobicContact CZ3-CB 4.25Å; W791-E971 HydrophobicContact CZ3-CG 3.86Å; W791-E971 CarbonylContact O-C 3.57Å; W791-E971 WeakPolarHBondContact O-CA 3.49Å; I969-E971 PolarHBondContact O-N 3.17Å |
| 972 | A | 63 | Low | 60.4 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -63.5 | 144.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E790 W791 S970 | E790-A972 HydrophobicContact CB-CB 4.28Å; W791-A972 WeakPolarHBondContact O-CB 3.49Å; W791-A972 PolarHBondContact O-N 2.87Å; S970-A972 PolarHBondContact O-N 3.4Å | ||
| 973 | S | 68.1 | Low | 61.8 | Low | 48 Ų | 48 | 53.7 Ų | 53.7 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | trans | -57 | 156.4 | -177.6 | 80 | 0 | 0 | 0 | 0 | 111.6 | Q821 E975 S976 A977 | Q821-S973 PolarHBondContact NE2-OG 3.11Å; S973-E975 CarbonylContact O-C 3.51Å; S973-E975 PolarHBondContact O-N 3Å; S973-S976 CarbonylContact O-C 3.6Å; S973-S976 WeakPolarHBondContact O-CA 3.37Å; S973-S976 PolarHBondContact O-N 3.28Å; S973-A977 PolarHBondContact O-N 3.47Å | ||
| 974 | T | 72 | Confident | 63 | Low | 118 Ų | 118 | 53.5 Ų | 53.5 | 72% | 0.724 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -46.8 | -34 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | S978 | T974-S978 WeakPolarHBondContact O-CB 3.31Å; T974-S978 PolarHBondContact O-N 3.13Å; T974-S978 PolarHBondContact O-OG 3.11Å |
| 975 | E | 73.3 | Confident | 63.7 | Low | 98 Ų | 98 | 54.1 Ų | 54.1 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 174.8 | -164.3 | -171.8 | -173.3 | 0 | 0 | 113.4 | N735 S973 S978 R979 | N735-E975 WeakPolarHBondContact CB-OE1 3.3Å; N735-E975 PolarHBondContact ND2-OE1 3.2Å; N735-E975 PolarHBondContact ND2-OE2 2.77Å; S973-E975 CarbonylContact O-C 3.51Å; S973-E975 PolarHBondContact O-N 3Å; E975-S978 CarbonylContact O-C 3.53Å; E975-S978 WeakPolarHBondContact O-CB 3.35Å; E975-S978 PolarHBondContact O-N 3.18Å; E975-R979 PolarHBondContact O-N 3.24Å |
| 976 | S | 76.2 | Confident | 64 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.8 | -34.6 | 172.8 | -87.5 | 0 | 0 | 0 | 0 | 113.2 | Q821 S973 S978 R979 L980 | Q821-S976 WeakPolarHBondContact CG-OG 3.47Å; Q821-S976 PolarHBondContact NE2-OG 3.32Å; Q821-S976 PolarHBondContact OE1-OG 3.24Å; S973-S976 CarbonylContact O-C 3.6Å; S973-S976 WeakPolarHBondContact O-CA 3.37Å; S973-S976 PolarHBondContact O-N 3.28Å; S976-S978 VanDerWaalsContact C-N 3.26Å; S976-S978 PolarHBondContact O-N 2.81Å; S976-R979 VanDerWaalsContact CB-NH2 3.3Å; S976-R979 WeakPolarHBondContact O-CB 3.24Å; S976-R979 PolarHBondContact O-N 3.21Å; S976-R979 VanDerWaalsContact O-N 3.12Å; S976-R979 PolarHBondContact OG-NE 3.35Å; S976-R979 PolarHBondContact OG-NH2 3.26Å; S976-L980 WeakPolarHBondContact O-CG 3.47Å; S976-L980 PolarHBondContact O-N 3.22Å |
| 977 | A | 81.4 | Confident | 63.7 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V794 S973 R979 L980 A981 | V794-A977 HydrophobicContact CG2-CB 3.59Å; V794-A977 WeakPolarHBondContact CG2-O 3.49Å; S973-A977 PolarHBondContact O-N 3.47Å; A977-R979 VanDerWaalsContact C-N 3.32Å; A977-R979 PolarHBondContact O-N 3.03Å; A977-L980 PolarHBondContact O-N 3.21Å; A977-L980 VanDerWaalsContact O-N 3.13Å; A977-A981 WeakPolarHBondContact O-CB 3.49Å; A977-A981 PolarHBondContact O-N 3.12Å |
| 978 | S | 83.9 | Confident | 63.1 | Low | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -31.4 | 174.9 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | T974 E975 S976 R982 | T974-S978 WeakPolarHBondContact O-CB 3.31Å; T974-S978 PolarHBondContact O-N 3.13Å; T974-S978 PolarHBondContact O-OG 3.11Å; E975-S978 CarbonylContact O-C 3.53Å; E975-S978 WeakPolarHBondContact O-CB 3.35Å; E975-S978 PolarHBondContact O-N 3.18Å; S976-S978 VanDerWaalsContact C-N 3.26Å; S976-S978 PolarHBondContact O-N 2.81Å; S978-R982 WeakPolarHBondContact O-CG 3.33Å; S978-R982 PolarHBondContact O-N 2.73Å |
| 979 | R | 86.7 | Confident | 62.6 | Low | 24 Ų | 24 | 60.1 Ų | 60.1 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 169.6 | 170.6 | -177.9 | 53.7 | 90.1 | 3.8 | 110.8 | R740 E790 D819 E975 S976 A977 A981 | R740-R979 PolarHBondContact NH1-O 2.96Å; E790-R979 IonicContact OE1-CZ 3.37Å; E790-R979 IonicContact OE1-NH2 2.8Å; E790-R979 PolarHBondContact OE1-NH2 3.1Å; E790-R979 IonicContact OE2-CZ 2.77Å; E790-R979 IonicContact OE2-NH1 2.71Å; E790-R979 PolarHBondContact OE2-NH1 2.99Å; E790-R979 IonicContact OE2-NH2 2.6Å; E790-R979 PolarHBondContact OE2-NH2 3.32Å; D819-R979 PolarHBondContact O-NE 3.22Å; D819-R979 PolarHBondContact O-NH1 3.06Å; D819-R979 IonicContact OD1-NH1 3.73Å; D819-R979 PolarHBondContact OD1-NH1 2.76Å; E975-R979 PolarHBondContact O-N 3.24Å; S976-R979 VanDerWaalsContact CB-NH2 3.3Å; S976-R979 WeakPolarHBondContact O-CB 3.24Å; S976-R979 PolarHBondContact O-N 3.21Å; S976-R979 VanDerWaalsContact O-N 3.12Å; S976-R979 PolarHBondContact OG-NE 3.35Å; S976-R979 PolarHBondContact OG-NH2 3.26Å; A977-R979 VanDerWaalsContact C-N 3.32Å; A977-R979 PolarHBondContact O-N 3.03Å; R979-A981 VanDerWaalsContact C-N 3.31Å; R979-A981 PolarHBondContact O-N 3.33Å |
| 980 | L | 85.9 | Confident | 61.5 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | -179.7 | -66.2 | -180 | 0 | 0 | 0 | 111.9 | T759 E790 I801 S976 A977 | T759-L980 HydrophobicContact CG2-CB 4.2Å; E790-L980 HydrophobicContact CB-CD1 4.23Å; I801-L980 HydrophobicContact CD1-CD2 3.57Å; I801-L980 HydrophobicContact CG1-CD2 3.74Å; S976-L980 WeakPolarHBondContact O-CG 3.47Å; S976-L980 PolarHBondContact O-N 3.22Å; A977-L980 PolarHBondContact O-N 3.21Å; A977-L980 VanDerWaalsContact O-N 3.13Å |
| 981 | A | 85.5 | Confident | 60.2 | Low | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.1 | -32.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F771 V794 Y799 A977 R979 | F771-A981 WeakPolarHBondContact CZ-O 3.23Å; V794-A981 HydrophobicContact CB-CB 4.12Å; V794-A981 HydrophobicContact CG1-CB 4.32Å; V794-A981 HydrophobicContact CG2-CB 3.89Å; Y799-A981 HydrophobicContact CD1-CB 3.93Å; Y799-A981 HydrophobicContact CD2-CB 3.84Å; Y799-A981 VanDerWaalsContact CE1-CA 3.43Å; Y799-A981 HydrophobicContact CE1-CB 3.67Å; Y799-A981 HydrophobicContact CE2-CB 3.62Å; Y799-A981 HydrophobicContact CG-CB 3.99Å; A977-A981 WeakPolarHBondContact O-CB 3.49Å; A977-A981 PolarHBondContact O-N 3.12Å; R979-A981 VanDerWaalsContact C-N 3.31Å; R979-A981 PolarHBondContact O-N 3.33Å |
| 982 | R | 81.2 | Confident | 58.4 | Low | 151 Ų | 151 | 66.8 Ų | 66.8 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -71.1 | 144 | 177.4 | -68.9 | 173.5 | -169.2 | -162.2 | 3.2 | 110.6 | R740 S978 | R740-R982 PolarHBondContact NH1-O 3.06Å; R740-R982 VanDerWaalsContact NH1-O 3.14Å; R740-R982 PolarHBondContact NH2-O 2.66Å; S978-R982 WeakPolarHBondContact O-CG 3.33Å; S978-R982 PolarHBondContact O-N 2.73Å |
| 983 | P | 67.2 | Low | 56.6 | Low | 65 Ų | 65 | 73.7 Ų | 73.7 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | trans | -69.3 | 162.9 | 174.5 | 27.5 | -34.7 | 0 | 0 | 0 | 112.9 | R740 L770 F771 S985 | R740-P983 VanDerWaalsContact CZ-O 3.23Å; R740-P983 PolarHBondContact NE-O 2.9Å; R740-P983 VanDerWaalsContact NH2-C 3.3Å; R740-P983 PolarHBondContact NH2-O 3.08Å; L770-P983 HydrophobicContact CD1-CB 4.09Å; F771-P983 HydrophobicContact CE2-CB 4.13Å; F771-P983 HydrophobicContact CZ-CB 4.34Å; P983-S985 PolarHBondContact O-N 2.86Å | ||
| 984 | P | 58.7 | Low | 54.6 | Low | 23 Ų | 23 | 79.7 Ų | 79.7 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | trans | -58.8 | 101.1 | 173.1 | -26.4 | 37.5 | 0 | 0 | 0 | 113.7 | V744 Y756 L770 I986 | V744-P984 HydrophobicContact CG1-CB 4.14Å; V744-P984 HydrophobicContact CG2-CB 3.98Å; Y756-P984 HydrophobicContact CE2-CG 4.28Å; L770-P984 HydrophobicContact CD2-CG 4.27Å; P984-I986 VanDerWaalsContact C-N 3.29Å; P984-I986 PolarHBondContact O-N 3.05Å | ||
| 985 | S | 46.6 | Very low | 52.5 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 62.3 | -172.1 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | N741 P983 | N741-S985 PolarHBondContact OD1-OG 2.76Å; P983-S985 PolarHBondContact O-N 2.86Å |
| 986 | I | 40.9 | Very low | 50.2 | Low | 31 Ų | 31 | 83.4 Ų | 83.4 | 16% | 0.159 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -2 | 175 | -64 | -156.6 | 0 | 0 | 0 | 112.8 | N741 V744 L745 K748 P984 | N741-I986 WeakPolarHBondContact O-CD1 3.31Å; V744-I986 HydrophobicContact CB-CD1 3.6Å; V744-I986 HydrophobicContact CB-CG1 4.01Å; V744-I986 HydrophobicContact CG1-CB 3.9Å; V744-I986 HydrophobicContact CG1-CD1 3.69Å; V744-I986 HydrophobicContact CG1-CG1 3.78Å; L745-I986 HydrophobicContact CB-CD1 4.23Å; L745-I986 HydrophobicContact CD2-CD1 3.57Å; L745-I986 HydrophobicContact CD2-CG2 4.17Å; L745-I986 HydrophobicContact CG-CD1 3.46Å; L745-I986 VanDerWaalsContact CG-CD1 3.46Å; K748-I986 HydrophobicContact CD-CG2 3.74Å; P984-I986 VanDerWaalsContact C-N 3.29Å; P984-I986 PolarHBondContact O-N 3.05Å |
| 987 | C | 29.5 | Very low | 48 | Very low | 99 Ų | 99 | 89.5 Ų | 89.5 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | trans | -132.6 | 91.9 | -174.8 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 988 | N | 24.3 | Very low | 45.6 | Very low | 170 Ų | 170 | 92.8 Ų | 92.8 | 91% | 0.909 | 56% | 0.562 | S | S | * | * | trans | -143.8 | 51.1 | 153.8 | -135.1 | 33.9 | 0 | 0 | 0 | 110.6 | ||||
| 989 | G | 25.8 | Very low | 43.1 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -123.9 | 132 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 990 | N | 25.4 | Very low | 40.3 | Very low | 160 Ų | 160 | 106.5 Ų | 106.5 | 86% | 0.856 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 65.1 | 60 | 178.5 | -59.7 | 12.7 | 0 | 0 | 0 | 116.4 | ||
| 991 | S | 23.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | trans | -125.1 | 53.5 | 146 | -71 | 0 | 0 | 0 | 0 | 110 | ||||
| 992 | S | 27.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | -73.4 | 123.5 | 170.1 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | H994 | S992-H994 PolarHBondContact O-N 2.9Š| ||
| 993 | N | 24.6 | Very low | 32.4 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | trans | -54.8 | 135.4 | 175.4 | -65.3 | -39.5 | 0 | 0 | 0 | 111.3 | ||||
| 994 | H | 27.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 80% | 0.801 | 73% | 0.725 | S | S | * | * | trans | -146.9 | 121.7 | 158.4 | -125.3 | -77.8 | 0 | 0 | 0 | 110.3 | S992 | S992-H994 PolarHBondContact O-N 2.9Š| ||
| 995 | P | 27.3 | Very low | 29 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -71.6 | 151.5 | 172.5 | 30.5 | -33.9 | 0 | 0 | 0 | 110.9 | S997 | P995-S997 PolarHBondContact O-N 3.24Š| ||
| 996 | L | 25.5 | Very low | 28.1 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -81.1 | 102.6 | -174.7 | -70.8 | 167.6 | 0 | 0 | 0 | 112.5 | ||
| 997 | S | 28.7 | Very low | 27.4 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -167.1 | 159.2 | 155.6 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | P995 | P995-S997 PolarHBondContact O-N 3.24Š| ||
| 998 | G | 31.9 | Very low | 27.5 | Very low | 70 Ų | 70 | 155.2 Ų | 155.2 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 109.1 | 38.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 999 | R | 30.8 | Very low | 27.7 | Very low | 229 Ų | 229 | 158.4 Ų | 158.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | 22 | 118.4 | 142.4 | -160.5 | 176.6 | -162 | 168.8 | 7.9 | 121.1 | ||||
| 1000 | D | 27.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 164.4 Ų | 164.4 | 68% | 0.684 | 83% | 0.834 | S | S | * | * | trans | 48.1 | 104.5 | 146 | -52.3 | -38.7 | 0 | 0 | 0 | 122.5 | ||||
| 1001 | R | 30.8 | Very low | 28 | Very low | 248 Ų | 248 | 166 Ų | 166 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | -166.3 | 152.6 | 110.7 | -111.1 | 175.2 | -76.4 | -168.5 | -0.7 | 114.3 | |||||
| 1002 | Y | 27.6 | Very low | 28.3 | Very low | 233 Ų | 233 | 169.8 Ų | 169.8 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | trans | -79 | 139.9 | -178 | -76.7 | -110.2 | 0 | 0 | 0 | 113.3 | ||||
| 1003 | S | 27.8 | Very low | 28.4 | Very low | 114 Ų | 114 | 174.8 Ų | 174.8 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | -169.6 | 152.9 | 127.7 | -152.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1004 | M | 26.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 178 Ų | 178 | 77% | 0.768 | 84% | 0.842 | S | S | * | * | trans | 67 | 59.3 | 144.8 | -146.2 | 63 | 162.2 | 0 | 0 | 122.5 | ||||
| 1005 | T | 28.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 173.7 Ų | 173.7 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | trans | -153.1 | 72.8 | 146.2 | -12.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1006 | Q | 28 | Very low | 28.9 | Very low | 196 Ų | 196 | 177.7 Ų | 177.7 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -145.2 | 34.5 | 175.3 | -137.4 | 176.4 | 25.1 | 0 | 0 | 114 | ||||
| 1007 | R | 26.8 | Very low | 29.1 | Very low | 231 Ų | 231 | 177.7 Ų | 177.7 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | -143.4 | 38.7 | -171.7 | -82.5 | -167.8 | 172.4 | -179.3 | -0.8 | 116.4 | ||||
| 1008 | I | 32.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 179.9 Ų | 179.9 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -133.8 | 30.1 | 172.5 | -28.9 | 179.9 | 0 | 0 | 0 | 114.4 | ||
| 1009 | Y | 27.7 | Very low | 29 | Very low | 236 Ų | 236 | 184.6 Ų | 184.6 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -140.4 | 26.9 | 172.9 | -102.2 | -74.2 | 0 | 0 | 0 | 115.2 | ||
| 1010 | E | 29.1 | Very low | 29 | Very low | 189 Ų | 189 | 182.2 Ų | 182.2 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -144 | 47.2 | -177.7 | -159.2 | 71.3 | -104.9 | 0 | 0 | 112.4 | ||
| 1011 | K | 28.2 | Very low | 28.9 | Very low | 193 Ų | 193 | 184.5 Ų | 184.5 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | -152.1 | 29.5 | 179.3 | -141.7 | -168.5 | 176.2 | -173 | 0 | 118.4 | ||||
| 1012 | H | 30.9 | Very low | 28.9 | Very low | 200 Ų | 200 | 178.6 Ų | 178.6 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -129.8 | 56.7 | 170.4 | -81.8 | 107.5 | 0 | 0 | 0 | 112.9 | ||||
| 1013 | R | 28 | Very low | 29.1 | Very low | 205 Ų | 205 | 172.9 Ų | 172.9 | 77% | 0.774 | 83% | 0.826 | S | S | * | * | trans | -144 | 119.7 | 164.3 | -110.5 | -178.4 | 70.6 | 162.1 | 1.4 | 110 | ||||
| 1014 | R | 29.6 | Very low | 29.2 | Very low | 226 Ų | 226 | 174.4 Ų | 174.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | 72.4 | 137.7 | -179.3 | -56 | 169.1 | 174.3 | 160.4 | -6.3 | 113.4 | ||||
| 1015 | A | 30.9 | Very low | 29.4 | Very low | 82 Ų | 82 | 172.5 Ų | 172.5 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | cis | -151.9 | 146.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1016 | Q | 30.4 | Very low | 29.3 | Very low | 198 Ų | 198 | 174.7 Ų | 174.7 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -134.4 | 135.2 | 142.9 | -79.7 | -70.3 | -61.9 | 0 | 0 | 104.5 | ||||
| 1017 | H | 29.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 172 Ų | 172 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -154.5 | 62.7 | -167.1 | -164.4 | -63.1 | 0 | 0 | 0 | 113.7 | ||||
| 1018 | E | 28.6 | Very low | 29.5 | Very low | 173 Ų | 173 | 167.2 Ų | 167.2 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -155.3 | 136.1 | 166.1 | -103.8 | 166 | 159.8 | 0 | 0 | 104.9 | ||||
| 1019 | F | 30.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 165.7 Ų | 165.7 | 74% | 0.737 | 81% | 0.805 | S | S | * | * | S | Bend | cis | -127.6 | 158.7 | 20.4 | -87.1 | -111.3 | 0 | 0 | 0 | 114.2 | ||
| 1020 | Q | 30.3 | Very low | 29.5 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 35.6 | 135.2 | 148 | -64.5 | 177.4 | -13.7 | 0 | 0 | 122.9 | ||||
| 1021 | H | 25.7 | Very low | 29.5 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -78.9 | 162 | 172.7 | -62.2 | -80.6 | 0 | 0 | 0 | 113.4 | ||||
| 1022 | P | 30.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -123.2 | 173.9 | 89.2 | -0.9 | 22.6 | 0 | 0 | 0 | 115.3 | |||||
| 1023 | P | 31.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -103.1 | 164.9 | -173.1 | 39.3 | -34.9 | 0 | 0 | 0 | 116.7 | ||||
| 1024 | I | 29.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -10.9 | 152.5 | 165.6 | -12.5 | 176.7 | 0 | 0 | 0 | 119.3 | ||||
| 1025 | P | 30 | Very low | 30 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | -135.8 | 126.9 | 111.4 | 35.9 | -25.8 | 0 | 0 | 0 | 115.8 | |||||
| 1026 | E | 26.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -95.9 | 101.6 | 149.1 | -78.1 | -172.9 | 130.7 | 0 | 0 | 107.4 | ||||
| 1027 | L | 30.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -149.6 | 147.6 | 172.2 | -68.8 | 177.7 | 0 | 0 | 0 | 107.1 | ||||
| 1028 | D | 29.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | cis | -151.3 | 157.2 | 6.2 | -130.9 | -35.8 | 0 | 0 | 0 | 112.4 | ||||
| 1029 | T | 27.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -134 | 131.7 | 155.5 | 39.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1030 | P | 30.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 145.6 | -166.6 | 26.4 | -35.1 | 0 | 0 | 0 | 113.3 | ||||
| 1031 | S | 29 | Very low | 30.2 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -131.5 | 149.7 | -171.2 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1032 | E | 33.9 | Very low | 30.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -138.1 | 117.7 | 162.4 | -78.7 | -157.4 | 139.7 | 0 | 0 | 113.9 | ||||
| 1033 | S | 30.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 84.2 | 165.2 | 147.8 | 78.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1034 | V | 32.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -140.1 | 175.4 | -131.6 | -146.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1035 | D | 31.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 99.9 | 143.8 | 152.8 | -63.7 | -27.7 | 0 | 0 | 0 | 120.5 | ||||
| 1036 | S | 32.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 145.6 Ų | 145.6 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | cis | -166.8 | 155.9 | -28.8 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1037 | Y | 30 | Very low | 30.3 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 72.1 | 134.8 | 142.5 | -81.6 | -54.2 | 0 | 0 | 0 | 127.7 | ||||
| 1038 | L | 32.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 75.8 | 150.8 | 146.8 | -63.4 | 163.1 | 0 | 0 | 0 | 121.9 | ||||
| 1039 | V | 31.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | cis | -167.4 | 158.7 | -37.2 | 94.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1040 | N | 30.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 72.5 | 150.2 | 159.8 | -77.8 | -9.9 | 0 | 0 | 0 | 124.3 | ||||
| 1041 | K | 27.1 | Very low | 30.8 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -113 | 156.5 | 168.3 | -59.3 | 171.1 | 177.6 | 173.2 | 0 | 109.8 | ||||
| 1042 | M | 28.1 | Very low | 30.9 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 99% | 0.99 | 76% | 0.764 | S | S | * | * | trans | -167.3 | -172.1 | 130.9 | -106.7 | 179 | -171.5 | 0 | 0 | 111.2 | ||||
| 1043 | S | 26.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -137.8 | 174.1 | -146.5 | -158.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1044 | T | 32.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 150 Ų | 150 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | 74.7 | 111.4 | 158.2 | 42.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1045 | R | 28.3 | Very low | 30.7 | Very low | 209 Ų | 209 | 152 Ų | 152 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | 70.4 | 154.5 | 133.1 | -70.8 | 172.6 | 176.8 | -154.6 | 6.3 | 118.7 | ||||
| 1046 | H | 31.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | cis | -154.7 | 168.7 | 9.7 | -121.5 | -45.4 | 0 | 0 | 0 | 112.8 | ||||
| 1047 | H | 31.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 74 | 146 | 154.2 | -71.8 | -32.4 | 0 | 0 | 0 | 121 | ||||
| 1048 | Q | 33.5 | Very low | 30.5 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | cis | -163.4 | 179.8 | -19.2 | -141.4 | 174.9 | 18.1 | 0 | 0 | 112.6 | ||||
| 1049 | H | 32.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 75.4 | 145 | 173.8 | -59.7 | -56.6 | 0 | 0 | 0 | 116.8 | ||||
| 1050 | R | 28.8 | Very low | 30.2 | Very low | 237 Ų | 237 | 150.4 Ų | 150.4 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | cis | -168 | 137.9 | -11.6 | 176.4 | 177.7 | -178.2 | -175.4 | 1.6 | 104.8 | ||||
| 1051 | A | 33 | Very low | 30.2 | Very low | 75 Ų | 75 | 151.5 Ų | 151.5 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | -171.5 | 159.4 | 52.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1052 | K | 32.3 | Very low | 30.2 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 53.4 | 129.3 | 152.9 | -59 | 177.1 | -179.2 | -174.6 | 0 | 119.9 | ||||
| 1053 | S | 31.5 | Very low | 30.9 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | cis | 78.5 | 139.2 | 26 | 88.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1054 | N | 31.4 | Very low | 31.1 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | cis | -162.9 | -169.6 | -1.8 | -123.6 | 22.4 | 0 | 0 | 0 | 112.6 | ||||
| 1055 | H | 29.4 | Very low | 31.6 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | -74.3 | 163.9 | -176.2 | -105.9 | -92 | 0 | 0 | 0 | 118 | ||||
| 1056 | N | 29.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | 90.2 | 120.6 | 143.6 | -77.6 | 16.1 | 0 | 0 | 0 | 124.3 | ||||
| 1057 | T | 30 | Very low | 31.7 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | 50.7 | 127.3 | 135.2 | 55.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1058 | D | 30 | Very low | 31.6 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | 85.5 | 93.8 | 135.8 | -59.5 | -4.1 | 0 | 0 | 0 | 124.1 | ||||
| 1059 | N | 27.9 | Very low | 31.5 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | 82.7 | 145.1 | 117.8 | -60 | -32.7 | 0 | 0 | 0 | 125 | |||||
| 1060 | H | 29.6 | Very low | 31.4 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 71.5 | 149.8 | 164.8 | -62.7 | -63.3 | 0 | 0 | 0 | 119 | ||||
| 1061 | E | 28.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | cis | -144.8 | -171.3 | 6 | -139.6 | 179.6 | 144.6 | 0 | 0 | 114.8 | ||||
| 1062 | L | 28.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -100.8 | -171.5 | -165.9 | -64.3 | 89.9 | 0 | 0 | 0 | 115.1 | ||||
| 1063 | P | 42.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | -138.9 | 126.9 | 92.3 | 34.1 | -18.8 | 0 | 0 | 0 | 114.8 | |||||
| 1064 | Q | 31.1 | Very low | 31 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 66.2 | 152.6 | 93.3 | -73.2 | -92.2 | -10.6 | 0 | 0 | 115.9 | |||||
| 1065 | P | 41.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | cis | -125.8 | -167.5 | 8.8 | 45.8 | -29.8 | 0 | 0 | 0 | 114.1 | ||||
| 1066 | T | 30.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | cis | -160.7 | 143.2 | 19.5 | 1.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1067 | L | 31.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 63.8 | 151.9 | 151 | -55.3 | 165.5 | 0 | 0 | 0 | 118.7 | ||||
| 1068 | S | 29.2 | Very low | 30.9 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | -178.2 | 170.2 | -11.3 | -99.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1069 | V | 31.9 | Very low | 31 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | cis | -173.2 | 135.4 | -29.5 | 132.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1070 | K | 31.4 | Very low | 31.1 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 135.7 | 165.8 | -70.8 | 176.8 | 177.6 | -172.9 | 0 | 118.8 | ||||
| 1071 | T | 29.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | 77 | 144.9 | 48.4 | 75 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1072 | T | 29.1 | Very low | 31.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | cis | -158.4 | 178.2 | 26.8 | -24.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1073 | S | 27.9 | Very low | 31.4 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -16.2 | 147 | 166.5 | 54.6 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1074 | E | 30 | Very low | 30.7 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | 172.4 | 129.6 | 132.3 | -92.6 | 156.3 | -156.8 | 0 | 0 | 107.5 | ||||
| 1075 | E | 28.9 | Very low | 30.6 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | 62.6 | 111.7 | 74.5 | -71.8 | -159.6 | 151.9 | 0 | 0 | 116.5 | |||||
| 1076 | D | 29.9 | Very low | 30 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | -171.8 | 172.3 | 120.1 | -131.5 | -30.8 | 0 | 0 | 0 | 114.2 | |||||
| 1077 | Q | 27.6 | Very low | 30.3 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -130.8 | 168.8 | 176 | -59.1 | -178.8 | 28.5 | 0 | 0 | 112.6 | ||||
| 1078 | V | 32.5 | Very low | 30.1 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 176.7 | 107.5 | 146.5 | 138.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1079 | T | 30.3 | Very low | 30.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | 58.4 | 143.5 | 106 | 89 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1080 | D | 30.8 | Very low | 30.3 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -120.1 | -136.7 | 12.7 | -72.2 | -90.5 | 0 | 0 | 0 | 111.6 | ||||
| 1081 | T | 32.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | cis | -156.6 | 165.5 | 7.3 | -29.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1082 | E | 29.6 | Very low | 30.7 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | trans | -75.8 | 174.3 | -179.5 | -77.6 | -171.4 | 134.3 | 0 | 0 | 115.6 | ||||
| 1083 | L | 31.6 | Very low | 30.9 | Very low | 128 Ų | 128 | 138 Ų | 138 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | cis | -160.7 | 154.8 | 5.3 | -124.9 | 160.9 | 0 | 0 | 0 | 112.7 | ||||
| 1084 | S | 27.6 | Very low | 31.1 | Very low | 78 Ų | 78 | 141 Ų | 141 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | trans | 53.2 | 130.4 | 143.4 | 60.6 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 1085 | Q | 29.3 | Very low | 31.1 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | 81.8 | 124.6 | 123.9 | -70.2 | 166.7 | 13.4 | 0 | 0 | 124.1 | |||||
| 1086 | T | 28.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -78.1 | 167.5 | 145.9 | 52 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1087 | P | 37 | Very low | 31.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | cis | -149.4 | -154.9 | 32.3 | 43.3 | -20.6 | 0 | 0 | 0 | 115.8 | ||||
| 1088 | S | 27.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | 69.5 | 145.7 | 157.2 | 46.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1089 | N | 30.5 | Very low | 30.9 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | cis | -162.3 | 167.1 | -0.2 | -118.5 | 31.1 | 0 | 0 | 0 | 111.3 | ||||
| 1090 | D | 33 | Very low | 30.8 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | trans | 61.6 | 142.5 | 138.5 | -58 | 0.1 | 0 | 0 | 0 | 120.7 | ||||
| 1091 | D | 35.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | cis | -149.5 | 154.8 | 4.1 | -84.8 | -36.6 | 0 | 0 | 0 | 112.8 | ||||
| 1092 | D | 34.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 36.9 | 159.8 | 141 | -59 | -21.8 | 0 | 0 | 0 | 124.3 | ||||
| 1093 | E | 34.4 | Very low | 30 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | cis | -121.1 | 142.7 | 7 | -94.3 | -173.8 | -173.4 | 0 | 0 | 111.5 | ||||
| 1094 | E | 31.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | 76.9 | 103.8 | 80.4 | -155.7 | 164.2 | -126.8 | 0 | 0 | 115 | |||||
| 1095 | S | 29.7 | Very low | 29.8 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | 60.6 | 152.5 | 90.6 | -50.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1096 | K | 30.4 | Very low | 29.8 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 73% | 0.726 | 71% | 0.71 | S | S | * | * | cis | -173.4 | 157.4 | -12.8 | -108 | 167.8 | -164.4 | 151.5 | 0 | 109.2 | ||||
| 1097 | I | 29 | Very low | 29.9 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | 68.2 | 158.6 | 143.4 | -70.1 | 169.3 | 0 | 0 | 0 | 117.9 | ||||
| 1098 | T | 27.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | cis | -171.9 | 128.4 | -35.8 | -75.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1099 | Q | 27.2 | Very low | 29.7 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | 63.5 | 169.2 | 156 | -69.7 | 166.9 | -0.5 | 0 | 0 | 122.5 | ||||
| 1100 | V | 28.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | 73 | 94.6 | 167 | -163.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1101 | E | 25.8 | Very low | 28.9 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | 70.7 | 121.7 | 78.6 | -90.4 | -159.5 | -172.6 | 0 | 0 | 116.5 | |||||
| 1102 | N | 24.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | 68 | 156.4 | 139.5 | -64.8 | -30.5 | 0 | 0 | 0 | 117.1 | ||||
| 1103 | I | 26.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 67% | 0.672 | 70% | 0.7 | S | S | * | * | cis | -161 | 157.2 | 7.4 | -138.1 | 171.5 | 0 | 0 | 0 | 111.8 | ||||
| 1104 | L | 25.9 | Very low | 27.8 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | 61.1 | 169.8 | 159.8 | -68 | 174.1 | 0 | 0 | 0 | 117.9 | ||||
| 1105 | S | 27.5 | Very low | 27.4 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 53% | 0.531 | 69% | 0.687 | S | S | . | * | cis | -149.5 | 165.9 | 5 | -143.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1106 | D | 30.1 | Very low | 27.5 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 73 | 145.5 | 154.2 | -51.7 | -22.6 | 0 | 0 | 0 | 118.2 | ||||
| 1107 | E | 30.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 58% | 0.584 | 70% | 0.704 | S | S | * | * | cis | -157.5 | -173.3 | -25.8 | -118.3 | -133.8 | 116.1 | 0 | 0 | 106.9 | Q1109 | E1107-Q1109 PolarHBondContact OE1-NE2 3.26Š| ||
| 1108 | Q | 30.7 | Very low | 27.4 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | cis | -148.2 | 176.1 | 16.2 | -164.3 | 153.5 | 84.1 | 0 | 0 | 111.6 | ||||
| 1109 | Q | 29.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -51 | 177.7 | 161.6 | -59.6 | 146.3 | 44.6 | 0 | 0 | 114.9 | E1107 | E1107-Q1109 PolarHBondContact OE1-NE2 3.26Š| ||
| 1110 | S | 23.8 | Very low | 27.5 | Very low | 85 Ų | 85 | 130 Ų | 130 | 59% | 0.594 | 71% | 0.707 | S | S | * | * | cis | 177.4 | 158.2 | -37.2 | 69.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1111 | N | 23.5 | Very low | 27.4 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | 73.3 | 155.3 | 149.9 | -68.8 | -19.2 | 0 | 0 | 0 | 123.2 | ||||
| 1112 | I | 27.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | trans | 89.8 | 106.1 | 146.4 | -81 | 158.9 | 0 | 0 | 0 | 120.2 | ||||
| 1113 | I | 26 | Very low | 27.6 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | 64 | 135.4 | 123.6 | -66.1 | 177.7 | 0 | 0 | 0 | 118.2 | |||||
| 1114 | N | 25.7 | Very low | 28.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | cis | -161.1 | 179.2 | -0.7 | -120.1 | 30.1 | 0 | 0 | 0 | 111.6 | ||||
| 1115 | D | 25.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | trans | 32.5 | 129.6 | 147.9 | -39.7 | -32.1 | 0 | 0 | 0 | 120.1 | ||||
| 1116 | N | 31 | Very low | 28 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | -163.4 | 163.6 | 56.1 | -102.2 | -67.9 | 0 | 0 | 0 | 114.8 | |||||
| 1117 | N | 24.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -90.1 | -169.1 | 169.7 | -135.4 | 1.3 | 0 | 0 | 0 | 109.2 | ||||
| 1118 | P | 32.5 | Very low | 27.5 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | cis | -139.3 | -178.2 | -1.2 | 41.5 | -22.2 | 0 | 0 | 0 | 117.5 | ||||
| 1119 | S | 26.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 77 | 153.8 | 149.9 | -118.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1120 | V | 30.3 | Very low | 27 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | cis | -130.4 | 155.7 | 11.5 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1121 | Q | 26.6 | Very low | 27.1 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 64% | 0.64 | 74% | 0.739 | S | S | * | * | trans | -90.1 | -171.7 | 176.2 | -121.9 | -173.7 | 83.6 | 0 | 0 | 111.4 | ||||
| 1122 | P | 29.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | cis | -138.7 | 176.4 | 28.9 | 42 | -21.2 | 0 | 0 | 0 | 119.3 | ||||
| 1123 | K | 25.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -60 | 169.9 | 178.5 | -75.9 | 164.7 | -178 | 172.2 | 0 | 116.7 | ||||
| 1124 | P | 40.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -82.4 | 169.9 | 172.1 | 36.5 | -39 | 0 | 0 | 0 | 113.3 | ||||
| 1125 | E | 24.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -147 | 164 | 158.8 | -136.1 | -152.7 | -164.1 | 0 | 0 | 115.3 | ||||
| 1126 | L | 23.4 | Very low | 28 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | -81.1 | 150.7 | -174.5 | -58.2 | 121.6 | 0 | 0 | 0 | 113.5 | ||||
| 1127 | R | 25.4 | Very low | 28.1 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -145.8 | 115 | 142.8 | -98 | 131.3 | -157.9 | -107 | 5.7 | 109.1 | ||||
| 1128 | K | 25.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | 62.9 | 105.5 | 86.2 | -68.2 | 173.8 | -175.4 | 173.7 | 0 | 109.6 | |||||
| 1129 | V | 25 | Very low | 28.6 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | 44.3 | 88.5 | 58 | -173 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1130 | I | 25.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -118.3 | 88.8 | -180 | -65 | -178.9 | 0 | 0 | 0 | 108 | I1132 | I1130-I1132 HydrophobicContact CG2-CD1 3.54Å; I1130-I1132 HydrophobicContact CG2-CG1 3.59Å | ||
| 1131 | T | 24.8 | Very low | 29.3 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -84.8 | 127.1 | 159.6 | -54.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1132 | I | 27.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 60% | 0.6 | 75% | 0.747 | S | S | * | * | trans | -122.7 | 94.1 | 174.8 | -62.1 | 175.9 | 0 | 0 | 0 | 109.6 | I1130 K1134 | I1130-I1132 HydrophobicContact CG2-CD1 3.54Å; I1130-I1132 HydrophobicContact CG2-CG1 3.59Å; I1132-K1134 HydrophobicContact CG2-CB 4.01Å; I1132-K1134 HydrophobicContact CG2-CD 4.02Å; I1132-K1134 HydrophobicContact CG2-CG 3.84Å | ||
| 1133 | N | 24.1 | Very low | 29.9 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | -81.6 | 157.5 | 137.5 | -72 | -13.9 | 0 | 0 | 0 | 107.4 | ||||
| 1134 | K | 30.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -149.4 | 133.2 | -172.8 | -128.6 | -171.9 | 174.2 | -125.6 | 0 | 114.7 | I1132 | I1132-K1134 HydrophobicContact CG2-CB 4.01Å; I1132-K1134 HydrophobicContact CG2-CD 4.02Å; I1132-K1134 HydrophobicContact CG2-CG 3.84Å | ||
| 1135 | H | 31.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 61% | 0.611 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 152.4 | 172.8 | -59.5 | -78.7 | 0 | 0 | 0 | 115.2 | ||||
| 1136 | E | 33.6 | Very low | 31.2 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | cis | -113.3 | 136 | 15.2 | -65 | 164.9 | 152.2 | 0 | 0 | 112.2 | ||||
| 1137 | E | 31.6 | Very low | 32 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | 62.8 | 121.6 | 97.3 | -53.1 | -161.1 | 155 | 0 | 0 | 115.1 | |||||
| 1138 | F | 38.2 | Very low | 32.5 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | -156.7 | -178.2 | 68 | -99.5 | -84.7 | 0 | 0 | 0 | 113.7 | |||||
| 1139 | S | 31.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -144.7 | 146 | -161.8 | 60.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1140 | S | 35.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -174.9 | 126.3 | 144.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1141 | T | 34.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 22.3 | 143.9 | 138.5 | 55.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1142 | S | 33.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | cis | 179 | 174.9 | 4.7 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1143 | S | 36.4 | Very low | 35.6 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | cis | -169.1 | -170.7 | -6.8 | 34.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1144 | D | 39.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 78.2 | 89.7 | 152.2 | -43.2 | -45.1 | 0 | 0 | 0 | 121.9 | ||||
| 1145 | D | 37.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | 68.5 | 145.1 | 123.4 | -57.5 | -11.9 | 0 | 0 | 0 | 127.8 | |||||
| 1146 | D | 39.3 | Very low | 36.6 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 80.1 | 88.5 | 152.9 | -78.9 | -34.8 | 0 | 0 | 0 | 126.4 | ||||
| 1147 | N | 39.6 | Very low | 36.8 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 61.9 | 118 | 118.3 | -75.2 | -57 | 0 | 0 | 0 | 126.1 | |||||
| 1148 | D | 36.1 | Very low | 37 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | trans | -0 | 137.3 | 149.2 | -68.4 | -5.7 | 0 | 0 | 0 | 122.6 | ||||
| 1149 | N | 40.2 | Very low | 37.1 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | -179.5 | 137.3 | 95.5 | -98 | -80.4 | 0 | 0 | 0 | 116.5 | |||||
| 1150 | N | 39.1 | Very low | 37.5 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 34.6 | 113.8 | 150.9 | -57.6 | -38.9 | 0 | 0 | 0 | 124.5 | ||||
| 1151 | V | 39.9 | Very low | 37.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | 41.1 | 105.2 | 126.9 | -170.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1152 | D | 36.6 | Very low | 37.9 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | 32.8 | 115.5 | 131.8 | -47 | -27.8 | 0 | 0 | 0 | 120.8 | ||||
| 1153 | D | 37.5 | Very low | 38 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | -147.2 | 173.7 | 92.7 | -145.7 | -26.5 | 0 | 0 | 0 | 110.9 | |||||
| 1154 | N | 36.6 | Very low | 38 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -93.6 | 129 | -152.4 | -69.9 | -101.8 | 0 | 0 | 0 | 115.8 | ||||
| 1155 | D | 36 | Very low | 37.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | -164.3 | 122.9 | 131.2 | -135.3 | -15.4 | 0 | 0 | 0 | 113.1 | ||||
| 1156 | R | 36.1 | Very low | 37.5 | Very low | 195 Ų | 195 | 139 Ų | 139 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 51.5 | 136.3 | 158.8 | -73.9 | 164.2 | -108.1 | -173.2 | 1.6 | 119.9 | ||||
| 1157 | D | 37.3 | Very low | 37.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -158.8 | 149.8 | 14.3 | -111 | -40.8 | 0 | 0 | 0 | 113.5 | ||||
| 1158 | N | 36.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | trans | 51.1 | 111.7 | 152.3 | -72.7 | -70.7 | 0 | 0 | 0 | 124.4 | ||||
| 1159 | N | 39.3 | Very low | 37.4 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | 63.2 | 114.2 | 127.2 | -61.8 | -33.3 | 0 | 0 | 0 | 123.3 | |||||
| 1160 | G | 39 | Very low | 37.2 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 134.4 | 118.5 | 100.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1161 | N | 41.1 | Very low | 37.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 160.2 | 151.7 | -70.8 | -14.8 | 0 | 0 | 0 | 120.2 | ||||
| 1162 | V | 37.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -166.6 | 146.2 | -40.6 | 93.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1163 | V | 37.4 | Very low | 36.9 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 73 | 126.6 | 160.9 | 168.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1164 | S | 35.1 | Very low | 36.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 67 | 144.8 | 161.2 | -68.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1165 | I | 30 | Very low | 36.9 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 100% | 1.221 | 78% | 0.776 | S | S | * | * | cis | -105.6 | 0 | 4.8 | -65.7 | 176 | 0 | 0 | 0 | 111.3 |
Retrieved 1,165 of 1,165 residues in 941 ms
(Link to these results)