| 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 | 51.9 | Low | 64.2 | Low | 181 Ų | 181 | 107.3 Ų | 107.3 | 89% | 0.892 | 52% | 0.515 | S | S | * | . | 0 | -63.1 | 0 | -70.9 | -71.2 | -178 | 0 | 0 | 111.9 | L3 I4 F5 | M1-L3 PolarHBondContact O-N 3.4Å; M1-I4 PolarHBondContact O-N 3.19Å; M1-F5 PolarHBondContact O-N 3.14Å; M1-F5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | H | 51.9 | Low | 64.3 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | -176.5 | -67 | -66.3 | 0 | 0 | 0 | 115.4 | F5 I6 | H2-F5 WeakPolarHBondContact O-CB 3.4Å; H2-F5 PolarHBondContact O-N 3.11Å; H2-I6 WeakPolarHBondContact O-CG1 3.49Å; H2-I6 PolarHBondContact O-N 3.32Å |
| 3 | L | 60.7 | Low | 64.6 | Low | 146 Ų | 146 | 100.2 Ų | 100.2 | 76% | 0.764 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | 176 | -81.6 | 160.8 | 0 | 0 | 0 | 112.9 | M1 F5 I6 Y7 | M1-L3 PolarHBondContact O-N 3.4Å; L3-F5 VanDerWaalsContact C-N 3.3Å; L3-F5 PolarHBondContact O-N 3.13Å; L3-I6 PolarHBondContact O-N 2.92Å; L3-Y7 WeakPolarHBondContact O-CB 3.19Å; L3-Y7 PolarHBondContact O-N 3.27Å |
| 4 | I | 68 | Low | 65.1 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176.4 | -61.1 | 172.4 | 0 | 0 | 0 | 109.8 | M1 Y7 V8 | M1-I4 PolarHBondContact O-N 3.19Å; I4-Y7 PolarHBondContact O-N 3.36Å; I4-V8 HydrophobicContact CG2-CG2 4.31Å; I4-V8 WeakPolarHBondContact O-CB 3.28Å; I4-V8 VanDerWaalsContact O-CG2 3.29Å; I4-V8 WeakPolarHBondContact O-CG2 3.36Å; I4-V8 PolarHBondContact O-N 3.39Å |
| 5 | F | 59 | Low | 65.3 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 32% | 0.316 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 175.8 | 174.2 | -101.2 | 0 | 0 | 0 | 112.2 | M1 H2 L3 Y7 V8 F9 L177 C181 | M1-F5 PolarHBondContact O-N 3.14Å; M1-F5 VanDerWaalsContact O-N 3.12Å; H2-F5 WeakPolarHBondContact O-CB 3.4Å; H2-F5 PolarHBondContact O-N 3.11Å; L3-F5 VanDerWaalsContact C-N 3.3Å; L3-F5 PolarHBondContact O-N 3.13Å; F5-Y7 VanDerWaalsContact C-N 3.31Å; F5-Y7 PolarHBondContact O-N 3.37Å; F5-V8 PolarHBondContact O-N 3.46Å; F5-F9 VanDerWaalsContact O-CB 3.28Å; F5-F9 WeakPolarHBondContact O-CB 3.33Å; F5-F9 PolarHBondContact O-N 3.47Å; F5-L177 HydrophobicContact CE2-CD2 4.31Å; F5-C181 HydrophobicContact CD2-CB 4.47Å; F5-C181 WeakPolarHBondContact CD2-SG 3.47Å; F5-C181 HydrophobicContact CE2-CB 4.04Å; F5-C181 WeakPolarHBondContact CE2-SG 3Å |
| 6 | I | 67.9 | Low | 65.2 | Low | 81 Ų | 81 | 97.3 Ų | 97.3 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.6 | -68.4 | 168.8 | 0 | 0 | 0 | 110.2 | H2 L3 F9 F10 | H2-I6 WeakPolarHBondContact O-CG1 3.49Å; H2-I6 PolarHBondContact O-N 3.32Å; L3-I6 PolarHBondContact O-N 2.92Å; I6-F9 PolarHBondContact O-N 2.74Å; I6-F10 HydrophobicContact CG2-CD2 3.5Å; I6-F10 HydrophobicContact CG2-CE2 3.43Å; I6-F10 VanDerWaalsContact CG2-CE2 3.43Å; I6-F10 WeakPolarHBondContact O-CD2 3.46Å; I6-F10 PolarHBondContact O-N 2.94Å |
| 7 | Y | 69.1 | Low | 65.2 | Low | 152 Ų | 152 | 98.1 Ų | 98.1 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 176.9 | -176.6 | -107 | 0 | 0 | 0 | 112.6 | L3 I4 F5 F9 F10 L11 | L3-Y7 WeakPolarHBondContact O-CB 3.19Å; L3-Y7 PolarHBondContact O-N 3.27Å; I4-Y7 PolarHBondContact O-N 3.36Å; F5-Y7 VanDerWaalsContact C-N 3.31Å; F5-Y7 PolarHBondContact O-N 3.37Å; Y7-F9 VanDerWaalsContact C-N 3.33Å; Y7-F9 PolarHBondContact O-N 3.23Å; Y7-F10 PolarHBondContact O-N 2.75Å; Y7-L11 HydrophobicContact CD1-CD1 3.7Å; Y7-L11 HydrophobicContact CD1-CG 4.38Å; Y7-L11 HydrophobicContact CE1-CD1 3.25Å; Y7-L11 HydrophobicContact CE1-CG 4.07Å; Y7-L11 HydrophobicContact CE2-CD1 4.41Å; Y7-L11 HydrophobicContact CE2-CG 4.39Å; Y7-L11 HydrophobicContact CG-CD1 4.46Å; Y7-L11 WeakPolarHBondContact O-CB 3.31Å; Y7-L11 WeakPolarHBondContact O-CG 3.41Å; Y7-L11 PolarHBondContact O-N 3.14Å |
| 8 | V | 69.8 | Low | 65.2 | Low | 61 Ų | 61 | 97.8 Ų | 97.8 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I4 F5 L11 L12 | I4-V8 HydrophobicContact CG2-CG2 4.31Å; I4-V8 WeakPolarHBondContact O-CB 3.28Å; I4-V8 VanDerWaalsContact O-CG2 3.29Å; I4-V8 WeakPolarHBondContact O-CG2 3.36Å; I4-V8 PolarHBondContact O-N 3.39Å; F5-V8 PolarHBondContact O-N 3.46Å; V8-L11 PolarHBondContact O-N 3.06Å; V8-L12 HydrophobicContact CG1-CD1 4Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CB 3.39Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 2.93Å |
| 9 | F | 68.3 | Low | 65 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 30% | 0.298 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 175.1 | -178.1 | -96.9 | 0 | 0 | 0 | 111.4 | F5 I6 Y7 L12 L13 L177 | F5-F9 VanDerWaalsContact O-CB 3.28Å; F5-F9 WeakPolarHBondContact O-CB 3.33Å; F5-F9 PolarHBondContact O-N 3.47Å; I6-F9 PolarHBondContact O-N 2.74Å; Y7-F9 VanDerWaalsContact C-N 3.33Å; Y7-F9 PolarHBondContact O-N 3.23Å; F9-L12 PolarHBondContact O-N 2.99Å; F9-L13 HydrophobicContact CE1-CD1 3.83Å; F9-L13 HydrophobicContact CE2-CD1 4.33Å; F9-L13 HydrophobicContact CZ-CD1 3.68Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.94Å; F9-L177 HydrophobicContact CD2-CD1 3.59Å; F9-L177 HydrophobicContact CE2-CD1 3.97Å |
| 10 | F | 68.3 | Low | 64.5 | Low | 124 Ų | 124 | 96.9 Ų | 96.9 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177 | -83.1 | -65.3 | 0 | 0 | 0 | 112.1 | I6 Y7 L12 L13 E14 | I6-F10 HydrophobicContact CG2-CD2 3.5Å; I6-F10 HydrophobicContact CG2-CE2 3.43Å; I6-F10 VanDerWaalsContact CG2-CE2 3.43Å; I6-F10 WeakPolarHBondContact O-CD2 3.46Å; I6-F10 PolarHBondContact O-N 2.94Å; Y7-F10 PolarHBondContact O-N 2.75Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.32Å; F10-L13 PolarHBondContact O-N 3.36Å; F10-E14 WeakPolarHBondContact O-CB 3.27Å; F10-E14 PolarHBondContact O-N 3.07Å |
| 11 | L | 71.1 | Confident | 64.1 | Low | 74 Ų | 74 | 94.5 Ų | 94.5 | 39% | 0.387 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -41 | 174.5 | -77.9 | 176.3 | 0 | 0 | 0 | 112.3 | Y7 V8 F15 | Y7-L11 HydrophobicContact CD1-CD1 3.7Å; Y7-L11 HydrophobicContact CD1-CG 4.38Å; Y7-L11 HydrophobicContact CE1-CD1 3.25Å; Y7-L11 HydrophobicContact CE1-CG 4.07Å; Y7-L11 HydrophobicContact CE2-CD1 4.41Å; Y7-L11 HydrophobicContact CE2-CG 4.39Å; Y7-L11 HydrophobicContact CG-CD1 4.46Å; Y7-L11 WeakPolarHBondContact O-CB 3.31Å; Y7-L11 WeakPolarHBondContact O-CG 3.41Å; Y7-L11 PolarHBondContact O-N 3.14Å; V8-L11 PolarHBondContact O-N 3.06Å; L11-F15 VanDerWaalsContact O-CB 3.26Å; L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 2.91Å |
| 12 | L | 65.3 | Low | 64 | Low | 57 Ų | 57 | 89 Ų | 89 | 30% | 0.298 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.4 | -75.9 | 168.3 | 0 | 0 | 0 | 111 | V8 F9 F10 E14 F15 V16 V173 L177 | V8-L12 HydrophobicContact CG1-CD1 4Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CB 3.39Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 2.93Å; F9-L12 PolarHBondContact O-N 2.99Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.32Å; L12-E14 VanDerWaalsContact C-N 3.32Å; L12-E14 PolarHBondContact O-N 2.66Å; L12-F15 WeakPolarHBondContact O-CB 3.44Å; L12-F15 PolarHBondContact O-N 3.09Å; L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.21Å; L12-V16 PolarHBondContact O-N 2.87Å; L12-V173 HydrophobicContact CB-CG1 4.11Å; L12-V173 HydrophobicContact CD1-CG1 4.3Å; L12-L177 HydrophobicContact CD1-CD1 4.08Å; L12-L177 HydrophobicContact CD1-CD2 3.73Å; L12-L177 HydrophobicContact CD1-CG 4.02Å |
| 13 | L | 68.7 | Low | 63.5 | Low | 65 Ų | 65 | 90.2 Ų | 90.2 | 34% | 0.34 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.2 | -138.5 | 91.1 | 0 | 0 | 0 | 111.6 | F9 F10 V16 N17 | F9-L13 HydrophobicContact CE1-CD1 3.83Å; F9-L13 HydrophobicContact CE2-CD1 4.33Å; F9-L13 HydrophobicContact CZ-CD1 3.68Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 3.36Å; L13-V16 PolarHBondContact O-N 3Å; L13-N17 WeakPolarHBondContact O-CB 3.41Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.97Å; L13-N17 PolarHBondContact O-ND2 2.83Å |
| 14 | E | 71.8 | Confident | 62.7 | Low | 129 Ų | 129 | 90.1 Ų | 90.1 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 176 | -169.5 | 172.4 | -164.8 | 0 | 0 | 110.7 | F10 L12 N17 S18 | F10-E14 WeakPolarHBondContact O-CB 3.27Å; F10-E14 PolarHBondContact O-N 3.07Å; L12-E14 VanDerWaalsContact C-N 3.32Å; L12-E14 PolarHBondContact O-N 2.66Å; E14-N17 CarbonylContact O-C 3.5Å; E14-N17 PolarHBondContact O-N 3.11Å; E14-S18 WeakPolarHBondContact O-CB 3.34Å; E14-S18 PolarHBondContact O-N 2.75Å |
| 15 | F | 67 | Low | 61.4 | Low | 118 Ų | 118 | 89.9 Ų | 89.9 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 171.1 | -176.1 | -98.8 | 0 | 0 | 0 | 111 | L11 L12 N17 S18 V19 | L11-F15 VanDerWaalsContact O-CB 3.26Å; L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 2.91Å; L12-F15 WeakPolarHBondContact O-CB 3.44Å; L12-F15 PolarHBondContact O-N 3.09Å; F15-N17 VanDerWaalsContact C-N 3.29Å; F15-N17 PolarHBondContact O-N 3.35Å; F15-S18 PolarHBondContact O-N 3.07Å; F15-S18 VanDerWaalsContact O-N 3.09Å; F15-V19 HydrophobicContact CD1-CG2 4.32Å; F15-V19 HydrophobicContact CE1-CG2 4.06Å; F15-V19 HydrophobicContact CZ-CG2 4.3Å; F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 3.35Å |
| 16 | V | 64.4 | Low | 60.6 | Low | 7 Ų | 7 | 92.5 Ų | 92.5 | 4% | 0.042 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 112 | L12 L13 L169 V170 V173 | L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.21Å; L12-V16 PolarHBondContact O-N 2.87Å; L13-V16 PolarHBondContact O-N 3Å; V16-L169 HydrophobicContact CB-CD2 4.01Å; V16-L169 HydrophobicContact CG1-CD2 3.75Å; V16-L169 HydrophobicContact CG2-CD2 3.19Å; V16-V170 HydrophobicContact CG1-CG2 3.83Å; V16-V173 HydrophobicContact CG2-CG2 4.02Å |
| 17 | N | 65.5 | Low | 59.3 | Low | 112 Ų | 112 | 94.2 Ų | 94.2 | 60% | 0.599 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.1 | -29.4 | 178.2 | -71.1 | -27.8 | 0 | 0 | 0 | 112.7 | L13 E14 F15 | L13-N17 WeakPolarHBondContact O-CB 3.41Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.97Å; L13-N17 PolarHBondContact O-ND2 2.83Å; E14-N17 CarbonylContact O-C 3.5Å; E14-N17 PolarHBondContact O-N 3.11Å; F15-N17 VanDerWaalsContact C-N 3.29Å; F15-N17 PolarHBondContact O-N 3.35Å |
| 18 | S | 64.6 | Low | 58.5 | Low | 92 Ų | 92 | 88.2 Ų | 88.2 | 64% | 0.643 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -77.3 | -24.5 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | E14 F15 Q20 | E14-S18 WeakPolarHBondContact O-CB 3.34Å; E14-S18 PolarHBondContact O-N 2.75Å; F15-S18 PolarHBondContact O-N 3.07Å; F15-S18 VanDerWaalsContact O-N 3.09Å; S18-Q20 PolarHBondContact O-N 3.23Å |
| 19 | V | 62.4 | Low | 57.5 | Low | 29 Ų | 29 | 92.2 Ų | 92.2 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | trans | -68.6 | 82.8 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | F15 F164 | F15-V19 HydrophobicContact CD1-CG2 4.32Å; F15-V19 HydrophobicContact CE1-CG2 4.06Å; F15-V19 HydrophobicContact CZ-CG2 4.3Å; F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 3.35Å; V19-F164 HydrophobicContact CG1-CZ 4.19Å | ||
| 20 | Q | 55.2 | Low | 56.4 | Low | 148 Ų | 148 | 95.7 Ų | 95.7 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -84 | 127.9 | 159.3 | -73.6 | -175.3 | -8.9 | 0 | 0 | 108.3 | S18 | S18-Q20 PolarHBondContact O-N 3.23Š|
| 21 | P | 54.3 | Low | 55.7 | Low | 47 Ų | 47 | 93.1 Ų | 93.1 | 31% | 0.305 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.8 | 169.6 | 26.7 | -32 | 0 | 0 | 0 | 108.1 | P23 | P21-P23 WeakPolarHBondContact O-CD 3.39Š|
| 22 | P | 49.8 | Very low | 54.9 | Low | 66 Ų | 66 | 91.2 Ų | 91.2 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 127 | 175.6 | 22.7 | -31.7 | 0 | 0 | 0 | 108.8 | K24 | P22-K24 PolarHBondContact O-N 2.68Š|
| 23 | P | 41.2 | Very low | 54.4 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 86% | 0.857 | 50% | 0.5 | S | S | * | . | trans | -75.1 | 80.4 | 174.7 | 31.3 | -32.6 | 0 | 0 | 0 | 107.4 | P21 | P21-P23 WeakPolarHBondContact O-CD 3.39Š| ||
| 24 | K | 45.6 | Very low | 53.9 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | trans | -125.5 | 106.8 | 169 | -72 | -171.9 | 179.1 | -178 | 0 | 107.1 | P22 Y26 | P22-K24 PolarHBondContact O-N 2.68Å; K24-Y26 VanDerWaalsContact C-N 3.33Å; K24-Y26 HydrophobicContact CB-CD1 4.43Å; K24-Y26 HydrophobicContact CB-CD2 4.2Å; K24-Y26 HydrophobicContact CB-CE1 3.95Å; K24-Y26 HydrophobicContact CB-CE2 3.69Å; K24-Y26 HydrophobicContact CD-CE1 4.2Å; K24-Y26 WeakPolarHBondContact O-CD2 3.22Å; K24-Y26 WeakPolarHBondContact O-CE2 3.26Å; K24-Y26 PolarHBondContact O-N 3.12Å | ||
| 25 | A | 39.6 | Very low | 53.2 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 90% | 0.901 | 49% | 0.494 | S | S | * | . | trans | -62.3 | 102.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | N27 | A25-N27 PolarHBondContact O-N 3.48Š| ||
| 26 | Y | 43.2 | Very low | 52.6 | Low | 128 Ų | 128 | 91.6 Ų | 91.6 | 50% | 0.502 | 50% | 0.499 | S | S | . | . | trans | -79.2 | 121.7 | 176.5 | -67.1 | -81.3 | 0 | 0 | 0 | 107.8 | K24 L28 | K24-Y26 VanDerWaalsContact C-N 3.33Å; K24-Y26 HydrophobicContact CB-CD1 4.43Å; K24-Y26 HydrophobicContact CB-CD2 4.2Å; K24-Y26 HydrophobicContact CB-CE1 3.95Å; K24-Y26 HydrophobicContact CB-CE2 3.69Å; K24-Y26 HydrophobicContact CD-CE1 4.2Å; K24-Y26 WeakPolarHBondContact O-CD2 3.22Å; K24-Y26 WeakPolarHBondContact O-CE2 3.26Å; K24-Y26 PolarHBondContact O-N 3.12Å; Y26-L28 PolarHBondContact O-N 3Å | ||
| 27 | N | 41.1 | Very low | 51.9 | Low | 116 Ų | 116 | 95.7 Ų | 95.7 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | trans | -68.8 | 102.4 | 168.3 | -169.6 | -5.3 | 0 | 0 | 0 | 107.4 | A25 Q29 | A25-N27 PolarHBondContact O-N 3.48Å; N27-Q29 PolarHBondContact O-N 3.19Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; N27-Q29 PolarHBondContact OD1-N 2.94Å | ||
| 28 | L | 51.1 | Low | 51.3 | Low | 26 Ų | 26 | 96.2 Ų | 96.2 | 14% | 0.136 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -63.7 | -9.5 | -176.1 | -114.4 | 97.6 | 0 | 0 | 0 | 113.5 | Y26 N30 H31 L32 P46 S160 | Y26-L28 PolarHBondContact O-N 3Å; L28-N30 PolarHBondContact O-N 3.14Å; L28-H31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CB-CD1 3.77Å; L28-L32 HydrophobicContact CB-CG 4.13Å; L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CD2-CD2 3.85Å; L28-L32 HydrophobicContact CD2-CG 3.88Å; L28-L32 HydrophobicContact CG-CG 4.5Å; L28-L32 WeakPolarHBondContact O-CD1 3.38Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.41Å; L28-L32 VanDerWaalsContact O-N 3.14Å; L28-P46 HydrophobicContact CD2-CB 4.42Å; L28-S160 WeakPolarHBondContact CD1-OG 3.31Å |
| 29 | Q | 48.8 | Very low | 51.1 | Low | 145 Ų | 145 | 101.1 Ų | 101.1 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -54.7 | -28.3 | -174.9 | -158.7 | 168.2 | 15.4 | 0 | 0 | 113.3 | N27 | N27-Q29 PolarHBondContact O-N 3.19Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; N27-Q29 PolarHBondContact OD1-N 2.94Å |
| 30 | N | 45.9 | Very low | 50.8 | Low | 141 Ų | 141 | 106.1 Ų | 106.1 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -87.6 | -8.4 | 178.5 | -66.1 | -8.9 | 0 | 0 | 0 | 114.7 | L28 | L28-N30 PolarHBondContact O-N 3.14Š|
| 31 | H | 53.3 | Low | 51.1 | Low | 71 Ų | 71 | 99.5 Ų | 99.5 | 33% | 0.329 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 6 | -175.3 | -63.9 | -62.2 | 0 | 0 | 0 | 113.4 | L28 E47 | L28-H31 PolarHBondContact O-N 3.47Å; H31-E47 PolarHBondContact O-N 3.43Å |
| 32 | L | 54.3 | Low | 51.6 | Low | 33 Ų | 33 | 101.5 Ų | 101.5 | 17% | 0.173 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.7 | 172.5 | -73.6 | 159 | 0 | 0 | 0 | 108.8 | L28 I34 I44 P46 I158 | L28-L32 HydrophobicContact CB-CD1 3.77Å; L28-L32 HydrophobicContact CB-CG 4.13Å; L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CD2-CD2 3.85Å; L28-L32 HydrophobicContact CD2-CG 3.88Å; L28-L32 HydrophobicContact CG-CG 4.5Å; L28-L32 WeakPolarHBondContact O-CD1 3.38Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.41Å; L28-L32 VanDerWaalsContact O-N 3.14Å; L32-I34 HydrophobicContact CB-CG1 4.22Å; L32-I34 PolarHBondContact O-N 3.03Å; L32-I44 HydrophobicContact CD2-CG2 3.35Å; L32-P46 HydrophobicContact CD2-CB 4.41Å; L32-I158 HydrophobicContact CD1-CD1 4.33Å |
| 33 | K | 54.3 | Low | 52.3 | Low | 131 Ų | 131 | 98.6 Ų | 98.6 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 101.2 | 163.8 | -167 | -179.7 | 179.2 | -168.2 | 0 | 107.1 | C45 | K33-C45 PolarHBondContact O-N 3.04Å |
| 34 | I | 59.1 | Low | 53.5 | Low | 104 Ų | 104 | 93 Ų | 93 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 111.5 | 173.8 | -55.9 | 173.7 | 0 | 0 | 0 | 106.8 | L32 F42 | L32-I34 HydrophobicContact CB-CG1 4.22Å; L32-I34 PolarHBondContact O-N 3.03Å; I34-F42 HydrophobicContact CG2-CD1 4.35Å |
| 35 | S | 56.7 | Low | 54.3 | Low | 42 Ų | 42 | 87 Ų | 87 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.6 | 170.7 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | V43 | S35-V43 PolarHBondContact N-O 2.92Å; S35-V43 VanDerWaalsContact N-O 3.09Å; S35-V43 PolarHBondContact O-N 2.82Å |
| 36 | T | 53.4 | Low | 55.4 | Low | 101 Ų | 101 | 82.8 Ų | 82.8 | 62% | 0.62 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.1 | 172.4 | 46.7 | 0 | 0 | 0 | 0 | 108.6 | F42 | T36-F42 HydrophobicContact CG2-CD1 3.63Å; T36-F42 HydrophobicContact CG2-CE1 3.56Å |
| 37 | F | 51.3 | Low | 55.9 | Low | 93 Ų | 93 | 81 Ų | 81 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -12.1 | -175.6 | -153.7 | -98 | 0 | 0 | 0 | 113.1 | S41 A93 | F37-S41 PolarHBondContact N-O 3.01Å; F37-S41 VanDerWaalsContact N-O 3.16Å; F37-A93 HydrophobicContact CE2-CB 4.21Å; F37-A93 HydrophobicContact CZ-CB 3.58Å |
| 38 | N | 53.3 | Low | 56.6 | Low | 123 Ų | 123 | 79.1 Ų | 79.1 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 168.5 | 166.7 | -100.4 | -38.9 | 0 | 0 | 0 | 106.7 | K40 S41 | N38-K40 PolarHBondContact O-N 3.43Å; N38-S41 PolarHBondContact O-N 2.97Å; N38-S41 VanDerWaalsContact O-N 3.1Å |
| 39 | Q | 58.4 | Low | 56.5 | Low | 195 Ų | 195 | 81.2 Ų | 81.2 | 91% | 0.911 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -5 | 178.9 | -79.2 | -179.2 | -16.5 | 0 | 0 | 115.4 | ||
| 40 | K | 57.9 | Low | 56.6 | Low | 134 Ų | 134 | 77.8 Ų | 77.8 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -1.1 | -174.7 | -58.4 | -176 | 179.3 | -178.8 | 0 | 114.6 | N38 D145 | N38-K40 PolarHBondContact O-N 3.43Å; K40-D145 PolarHBondContact O-N 3.01Å |
| 41 | S | 60.7 | Low | 56.5 | Low | 8 Ų | 8 | 77.9 Ų | 77.9 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 138 | -177.8 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | F37 N38 M142 I143 | F37-S41 PolarHBondContact N-O 3.01Å; F37-S41 VanDerWaalsContact N-O 3.16Å; N38-S41 PolarHBondContact O-N 2.97Å; N38-S41 VanDerWaalsContact O-N 3.1Å; S41-M142 WeakPolarHBondContact OG-CE 3.31Å; S41-I143 WeakPolarHBondContact CA-O 3.37Å |
| 42 | F | 65.7 | Low | 56.1 | Low | 89 Ų | 89 | 84.4 Ų | 84.4 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.2 | 176.8 | -57.4 | -91.9 | 0 | 0 | 0 | 109.7 | I34 T36 I143 | I34-F42 HydrophobicContact CG2-CD1 4.35Å; T36-F42 HydrophobicContact CG2-CD1 3.63Å; T36-F42 HydrophobicContact CG2-CE1 3.56Å; F42-I143 PolarHBondContact N-O 3.41Å; F42-I143 PolarHBondContact O-N 3.34Å |
| 43 | V | 62.8 | Low | 55.8 | Low | 6 Ų | 6 | 89 Ų | 89 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.9 | 171.7 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | S35 C140 F141 M142 | S35-V43 PolarHBondContact N-O 2.92Å; S35-V43 VanDerWaalsContact N-O 3.09Å; S35-V43 PolarHBondContact O-N 2.82Å; V43-C140 HydrophobicContact CG1-CB 4.18Å; V43-F141 CarbonylContact C-O 3.56Å; V43-F141 WeakPolarHBondContact CA-O 3.28Å; V43-M142 HydrophobicContact CG2-CB 4.31Å; V43-M142 HydrophobicContact CG2-CG 3.98Å; V43-M142 HydrophobicContact CG2-SD 4.44Å |
| 44 | I | 66.7 | Low | 55.3 | Low | 15 Ų | 15 | 90.1 Ų | 90.1 | 8% | 0.077 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109 | 177.9 | -62.5 | 171.8 | 0 | 0 | 0 | 107.8 | L32 P46 C140 F141 I143 L156 I158 | L32-I44 HydrophobicContact CD2-CG2 3.35Å; I44-P46 WeakPolarHBondContact O-CD 3.37Å; I44-C140 WeakPolarHBondContact O-CA 3.33Å; I44-F141 PolarHBondContact N-O 2.86Å; I44-F141 PolarHBondContact O-N 3.22Å; I44-I143 HydrophobicContact CD1-CD1 3.66Å; I44-I143 HydrophobicContact CD1-CG1 4.46Å; I44-L156 HydrophobicContact CD1-CD2 3.95Å; I44-I158 HydrophobicContact CD1-CD1 3.84Å; I44-I158 HydrophobicContact CG2-CD1 4.49Å |
| 45 | C | 62.5 | Low | 54.8 | Low | 18 Ų | 18 | 90.3 Ų | 90.3 | 12% | 0.122 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101 | 170.4 | -65.9 | 0 | 0 | 0 | 0 | 108.3 | K33 E47 C140 | K33-C45 PolarHBondContact O-N 3.04Å; C45-E47 PolarHBondContact O-N 3.48Å; C45-E47 VanDerWaalsContact O-N 3.07Å; C45-C140 HydrophobicContact CB-CB 4.16Å; C45-C140 WeakPolarHBondContact CB-SG 3.42Å; C45-C140 WeakPolarHBondContact SG-CB 3.36Å; C45-C140 CovalentContact SG-SG 2.04Å; C45-C140 PolarHBondContact SG-SG 3.5Å |
| 46 | P | 62 | Low | 54.5 | Low | 19 Ų | 19 | 95.3 Ų | 95.3 | 12% | 0.123 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 110.9 | 172.7 | 26.4 | -31.1 | 0 | 0 | 0 | 108.6 | L28 L32 I44 I48 L72 L133 T139 | L28-P46 HydrophobicContact CD2-CB 4.42Å; L32-P46 HydrophobicContact CD2-CB 4.41Å; I44-P46 WeakPolarHBondContact O-CD 3.37Å; P46-I48 PolarHBondContact O-N 3.06Å; P46-L72 HydrophobicContact CG-CD1 4.35Å; P46-L133 HydrophobicContact CG-CD2 4.45Å; P46-T139 WeakPolarHBondContact CD-O 3.11Å |
| 47 | E | 54.1 | Low | 54.1 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 43% | 0.425 | 46% | 0.456 | S | S | . | . | trans | -83.3 | 103.4 | 171.5 | -170.7 | 151.5 | -133.9 | 0 | 0 | 108 | H31 C45 V49 K138 | H31-E47 PolarHBondContact O-N 3.43Å; C45-E47 PolarHBondContact O-N 3.48Å; C45-E47 VanDerWaalsContact O-N 3.07Å; E47-V49 HydrophobicContact CG-CG2 4.04Å; E47-V49 PolarHBondContact O-N 3.19Å; E47-K138 IonicContact OE1-NZ 3.43Å; E47-K138 PolarHBondContact OE1-NZ 3.36Å | ||
| 48 | I | 55.6 | Low | 54.3 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | trans | -71.5 | 88.4 | 170.3 | -55.9 | 173.8 | 0 | 0 | 0 | 106.7 | P46 V50 T70 | P46-I48 PolarHBondContact O-N 3.06Å; I48-V50 HydrophobicContact CG2-CG2 4.36Å; I48-V50 PolarHBondContact O-N 2.91Å; I48-T70 HydrophobicContact CD1-CG2 4.32Å | ||
| 49 | V | 50.2 | Low | 54.2 | Low | 71 Ų | 71 | 98.8 Ų | 98.8 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | trans | -71 | 99.1 | 169 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | E47 Y51 | E47-V49 HydrophobicContact CG-CG2 4.04Å; E47-V49 PolarHBondContact O-N 3.19Å; V49-Y51 PolarHBondContact O-N 3.37Å | ||
| 50 | V | 50.4 | Low | 53.9 | Low | 73 Ų | 73 | 90 Ų | 90 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | trans | -67 | 102.6 | 167.7 | -177.1 | 0 | 0 | 0 | 0 | 106.3 | I48 R52 I64 | I48-V50 HydrophobicContact CG2-CG2 4.36Å; I48-V50 PolarHBondContact O-N 2.91Å; V50-R52 PolarHBondContact O-N 2.87Å; V50-I64 HydrophobicContact CG1-CD1 3.75Å | ||
| 51 | Y | 44.1 | Very low | 53.8 | Low | 142 Ų | 142 | 88.5 Ų | 88.5 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | trans | -57.8 | 112.5 | 175.3 | -103.3 | -93.8 | 0 | 0 | 0 | 108.8 | V49 D53 | V49-Y51 PolarHBondContact O-N 3.37Å; Y51-D53 WeakPolarHBondContact CD1-OD2 3.23Å; Y51-D53 PolarHBondContact O-N 3.5Å; Y51-D53 VanDerWaalsContact O-N 3.08Å | ||
| 52 | R | 45 | Very low | 53.7 | Low | 208 Ų | 208 | 91.5 Ų | 91.5 | 79% | 0.785 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 0.1 | -179.4 | -101.4 | -173.8 | -172.1 | -179.9 | 3.6 | 114.3 | V50 W54 M57 | V50-R52 PolarHBondContact O-N 2.87Å; R52-W54 PolarHBondContact O-N 2.94Å; R52-W54 VanDerWaalsContact O-N 3.17Å; R52-M57 HydrophobicContact CG-CE 4.43Å |
| 53 | D | 47.5 | Very low | 53.4 | Low | 129 Ų | 129 | 89.3 Ų | 89.3 | 69% | 0.69 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 6.8 | -173.8 | -61.8 | -22.7 | 0 | 0 | 0 | 113.7 | Y51 P55 | Y51-D53 WeakPolarHBondContact CD1-OD2 3.23Å; Y51-D53 PolarHBondContact O-N 3.5Å; Y51-D53 VanDerWaalsContact O-N 3.08Å; D53-P55 WeakPolarHBondContact O-CD 3.5Å |
| 54 | W | 44.3 | Very low | 53.2 | Low | 155 Ų | 155 | 91.5 Ų | 91.5 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | trans | -80.4 | 119.4 | 170.2 | -84.9 | 65.8 | 0 | 0 | 0 | 110.3 | R52 Y56 | R52-W54 PolarHBondContact O-N 2.94Å; R52-W54 VanDerWaalsContact O-N 3.17Å; W54-Y56 PolarHBondContact O-N 3.47Å | ||
| 55 | P | 49.1 | Very low | 52.9 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 71% | 0.708 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -70.1 | 18.6 | -177.5 | 27.4 | -33.5 | 0 | 0 | 0 | 114.7 | D53 | D53-P55 WeakPolarHBondContact O-CD 3.5Š|
| 56 | Y | 49.2 | Very low | 52.9 | Low | 147 Ų | 147 | 92.7 Ų | 92.7 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | trans | -131 | 59.8 | -179 | -54.9 | -74.7 | 0 | 0 | 0 | 110.2 | W54 I58 F59 G60 | W54-Y56 PolarHBondContact O-N 3.47Å; Y56-I58 PolarHBondContact O-N 3.08Å; Y56-F59 PolarHBondContact O-N 3.34Å; Y56-F59 VanDerWaalsContact O-N 3.08Å; Y56-G60 PolarHBondContact O-N 2.87Å | ||
| 57 | M | 46 | Very low | 52.5 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 62% | 0.616 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -53.4 | -23.1 | -173.1 | -78.1 | -172 | 90.5 | 0 | 0 | 115.2 | R52 | R52-M57 HydrophobicContact CG-CE 4.43Å |
| 58 | I | 54 | Low | 52.6 | Low | 131 Ų | 131 | 90 Ų | 90 | 67% | 0.672 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -91.8 | -36.9 | 179.6 | -56.7 | 173.8 | 0 | 0 | 0 | 111.5 | Y56 I62 | Y56-I58 PolarHBondContact O-N 3.08Å; I58-I62 WeakPolarHBondContact O-CD1 3.36Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å |
| 59 | F | 52.3 | Low | 52.6 | Low | 134 Ų | 134 | 88.8 Ų | 88.8 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -84.4 | -30.7 | -178.1 | -69.6 | -78.7 | 0 | 0 | 0 | 112.2 | Y56 I62 I63 | Y56-F59 PolarHBondContact O-N 3.34Å; Y56-F59 VanDerWaalsContact O-N 3.08Å; F59-I62 PolarHBondContact O-N 2.89Å; F59-I63 HydrophobicContact CB-CD1 4.33Å; F59-I63 WeakPolarHBondContact O-CB 3.44Å; F59-I63 WeakPolarHBondContact O-CD1 3.37Å; F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.5Å |
| 60 | G | 51.8 | Low | 52.7 | Low | 10 Ų | 10 | 85.8 Ų | 85.8 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y56 I62 I63 I64 | Y56-G60 PolarHBondContact O-N 2.87Å; G60-I62 VanDerWaalsContact C-N 3.32Å; G60-I62 PolarHBondContact O-N 3.23Å; G60-I63 PolarHBondContact O-N 3.15Å; G60-I64 WeakPolarHBondContact O-CB 3.09Å; G60-I64 WeakPolarHBondContact O-CD1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.33Å; G60-I64 PolarHBondContact O-N 3.47Å |
| 61 | D | 56.1 | Low | 52.5 | Low | 103 Ų | 103 | 83 Ų | 83 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.9 | -38.2 | -179.9 | -69.1 | -10.6 | 0 | 0 | 0 | 112.2 | I64 N65 | D61-I64 PolarHBondContact O-N 3.28Å; D61-N65 WeakPolarHBondContact O-CB 3.41Å; D61-N65 PolarHBondContact O-N 3.46Å |
| 62 | I | 59.3 | Low | 52.7 | Low | 70 Ų | 70 | 76.8 Ų | 76.8 | 36% | 0.359 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66 | -46 | 176.5 | -66.1 | 172.8 | 0 | 0 | 0 | 110.4 | I58 F59 G60 N65 I66 | I58-I62 WeakPolarHBondContact O-CD1 3.36Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; F59-I62 PolarHBondContact O-N 2.89Å; G60-I62 VanDerWaalsContact C-N 3.32Å; G60-I62 PolarHBondContact O-N 3.23Å; I62-N65 PolarHBondContact O-N 3.44Å; I62-I66 HydrophobicContact CG2-CD1 3.42Å; I62-I66 VanDerWaalsContact CG2-CD1 3.42Å; I62-I66 HydrophobicContact CG2-CG1 4.41Å; I62-I66 WeakPolarHBondContact O-CB 3.46Å; I62-I66 VanDerWaalsContact O-CD1 3.31Å; I62-I66 WeakPolarHBondContact O-CD1 3.18Å; I62-I66 WeakPolarHBondContact O-CG1 3.26Å; I62-I66 PolarHBondContact O-N 2.92Å |
| 63 | I | 57.8 | Low | 52.8 | Low | 43 Ų | 43 | 67.8 Ų | 67.8 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 178.7 | -68.3 | 165.6 | 0 | 0 | 0 | 110.6 | F59 G60 N65 I66 G67 F164 L169 | F59-I63 HydrophobicContact CB-CD1 4.33Å; F59-I63 WeakPolarHBondContact O-CB 3.44Å; F59-I63 WeakPolarHBondContact O-CD1 3.37Å; F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.5Å; G60-I63 PolarHBondContact O-N 3.15Å; I63-N65 VanDerWaalsContact C-N 3.28Å; I63-N65 PolarHBondContact O-N 3.49Å; I63-I66 PolarHBondContact O-N 3.19Å; I63-G67 PolarHBondContact O-N 3.17Å; I63-F164 HydrophobicContact CG2-CE2 4.46Å; I63-L169 HydrophobicContact CG2-CD1 4.37Å |
| 64 | I | 58.6 | Low | 52.9 | Low | 53 Ų | 53 | 62.1 Ų | 62.1 | 27% | 0.272 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.9 | -70.1 | 164.8 | 0 | 0 | 0 | 109.9 | V50 G60 D61 I66 Y68 | V50-I64 HydrophobicContact CG1-CD1 3.75Å; G60-I64 WeakPolarHBondContact O-CB 3.09Å; G60-I64 WeakPolarHBondContact O-CD1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.33Å; G60-I64 PolarHBondContact O-N 3.47Å; D61-I64 PolarHBondContact O-N 3.28Å; I64-I66 PolarHBondContact O-N 3.13Å; I64-Y68 HydrophobicContact CB-CD2 4.39Å; I64-Y68 HydrophobicContact CG1-CD2 4.3Å; I64-Y68 HydrophobicContact CG1-CE2 4.27Å; I64-Y68 WeakPolarHBondContact O-CB 3.41Å; I64-Y68 PolarHBondContact O-N 2.95Å; I64-Y68 VanDerWaalsContact O-N 3.16Å |
| 65 | N | 61.3 | Low | 53.1 | Low | 48 Ų | 48 | 55 Ų | 55 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.8 | -21.2 | -177.4 | -153.8 | 25.8 | 0 | 0 | 0 | 114.6 | D61 I62 I63 R313 | D61-N65 WeakPolarHBondContact O-CB 3.41Å; D61-N65 PolarHBondContact O-N 3.46Å; I62-N65 PolarHBondContact O-N 3.44Å; I63-N65 VanDerWaalsContact C-N 3.28Å; I63-N65 PolarHBondContact O-N 3.49Å; N65-R313 VanDerWaalsContact CG-O 3.26Å; N65-R313 PolarHBondContact ND2-O 3.39Å; N65-R313 WeakPolarHBondContact O-CB 3.49Å; N65-R313 PolarHBondContact O-N 3.14Å; N65-R313 PolarHBondContact OD1-O 3.07Å |
| 66 | I | 62.7 | Low | 52.7 | Low | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -88.3 | -37.7 | 177.3 | -67.7 | 162.4 | 0 | 0 | 0 | 111.3 | I62 I63 I64 R168 L169 S172 M312 | I62-I66 HydrophobicContact CG2-CD1 3.42Å; I62-I66 VanDerWaalsContact CG2-CD1 3.42Å; I62-I66 HydrophobicContact CG2-CG1 4.41Å; I62-I66 WeakPolarHBondContact O-CB 3.46Å; I62-I66 VanDerWaalsContact O-CD1 3.31Å; I62-I66 WeakPolarHBondContact O-CD1 3.18Å; I62-I66 WeakPolarHBondContact O-CG1 3.26Å; I62-I66 PolarHBondContact O-N 2.92Å; I63-I66 PolarHBondContact O-N 3.19Å; I64-I66 PolarHBondContact O-N 3.13Å; I66-R168 HydrophobicContact CG2-CB 4.48Å; I66-R168 VanDerWaalsContact O-CB 3.27Å; I66-R168 WeakPolarHBondContact O-CB 3.43Å; I66-R168 WeakPolarHBondContact O-CD 3.22Å; I66-L169 HydrophobicContact CG2-CB 4.35Å; I66-S172 WeakPolarHBondContact CD1-OG 3.34Å; I66-M312 HydrophobicContact CD1-CE 4.45Å; I66-M312 HydrophobicContact CG1-CG 4.09Å |
| 67 | G | 54 | Low | 52.7 | Low | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -110.5 | -22.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I63 F164 D165 | I63-G67 PolarHBondContact O-N 3.17Å; G67-F164 CarbonylContact O-C 3.51Å; G67-F164 WeakPolarHBondContact O-CA 3.26Å; G67-F164 WeakPolarHBondContact O-CD2 3.31Å; G67-D165 PolarHBondContact O-N 3.2Å |
| 68 | Y | 55.7 | Low | 52.7 | Low | 52 Ų | 52 | 43.2 Ų | 43.2 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.1 | -170.6 | -76 | -100.3 | 0 | 0 | 0 | 113 | I64 S135 F162 F164 | I64-Y68 HydrophobicContact CB-CD2 4.39Å; I64-Y68 HydrophobicContact CG1-CD2 4.3Å; I64-Y68 HydrophobicContact CG1-CE2 4.27Å; I64-Y68 WeakPolarHBondContact O-CB 3.41Å; I64-Y68 PolarHBondContact O-N 2.95Å; I64-Y68 VanDerWaalsContact O-N 3.16Å; Y68-S135 PolarHBondContact O-OG 3.49Å; Y68-F162 HydrophobicContact CD1-CB 4.35Å; Y68-F162 HydrophobicContact CD1-CD1 4.07Å; Y68-F164 AromaticContact CD2-CD2 3.97Å; Y68-F164 HydrophobicContact CD2-CD2 3.97Å; Y68-F164 HydrophobicContact CD2-CE2 4.21Å; Y68-F164 AromaticContact CE2-CD2 3.85Å; Y68-F164 HydrophobicContact CE2-CD2 3.85Å; Y68-F164 AromaticContact CE2-CE2 3.96Å; Y68-F164 HydrophobicContact CE2-CE2 3.96Å; Y68-F164 HydrophobicContact CG-CD2 4.48Å |
| 69 | K | 55.7 | Low | 52.4 | Low | 51 Ų | 51 | 41 Ų | 41 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.3 | 168 | 178.7 | -175.7 | 164.9 | -143.1 | 0 | 107.9 | T71 E163 | K69-T71 HydrophobicContact CD-CG2 4.49Å; K69-T71 HydrophobicContact CG-CG2 4.28Å; K69-E163 HydrophobicContact CB-CB 4.46Å; K69-E163 PolarHBondContact N-O 3.35Å; K69-E163 IonicContact NZ-OE2 2.84Å; K69-E163 PolarHBondContact NZ-OE2 2.98Å; K69-E163 PolarHBondContact O-N 3.4Å |
| 70 | T | 51 | Low | 52.3 | Low | 8 Ų | 8 | 35.8 Ų | 35.8 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.2 | 171.4 | 39.6 | 0 | 0 | 0 | 0 | 109.3 | I48 L133 F162 | I48-T70 HydrophobicContact CD1-CG2 4.32Å; T70-L133 PolarHBondContact O-N 3.46Å; T70-L133 PolarHBondContact OG1-O 2.91Å; T70-L133 VanDerWaalsContact OG1-O 3.05Å; T70-F162 HydrophobicContact CG2-CD1 3.42Å; T70-F162 VanDerWaalsContact CG2-CD1 3.42Å; T70-F162 HydrophobicContact CG2-CE1 3.13Å; T70-F162 HydrophobicContact CG2-CG 4.34Å; T70-F162 HydrophobicContact CG2-CZ 3.83Å |
| 71 | T | 47.9 | Very low | 52.3 | Low | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.6 | 166.8 | 60.7 | 0 | 0 | 0 | 0 | 107.6 | K69 F131 T132 S160 N161 | K69-T71 HydrophobicContact CD-CG2 4.49Å; K69-T71 HydrophobicContact CG-CG2 4.28Å; T71-F131 CarbonylContact C-O 3.6Å; T71-F131 WeakPolarHBondContact CA-O 3.32Å; T71-T132 HydrophobicContact CG2-CG2 3.83Å; T71-S160 CarbonylContact O-C 3.59Å; T71-S160 WeakPolarHBondContact O-CA 3.33Å; T71-N161 PolarHBondContact N-O 3.24Å; T71-N161 PolarHBondContact O-N 3.34Å; T71-N161 VanDerWaalsContact OG1-CB 3.28Å; T71-N161 WeakPolarHBondContact OG1-CB 3.47Å; T71-N161 PolarHBondContact OG1-O 2.8Å |
| 72 | L | 47.2 | Very low | 52.3 | Low | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.4 | 172.1 | -81.5 | 157 | 0 | 0 | 0 | 107.4 | P46 F131 L133 F141 I158 | P46-L72 HydrophobicContact CG-CD1 4.35Å; L72-F131 PolarHBondContact N-O 3.21Å; L72-F131 PolarHBondContact O-N 3.12Å; L72-L133 HydrophobicContact CB-CD1 3.69Å; L72-L133 HydrophobicContact CD1-CD1 3.34Å; L72-L133 HydrophobicContact CD1-CD2 3.55Å; L72-L133 HydrophobicContact CD1-CG 3.96Å; L72-L133 HydrophobicContact CG-CD1 3.92Å; L72-F141 HydrophobicContact CD1-CE2 4.11Å; L72-I158 HydrophobicContact CD2-CG2 3.46Å; L72-I158 VanDerWaalsContact CD2-CG2 3.46Å |
| 73 | N | 46.6 | Very low | 52.1 | Low | 20 Ų | 20 | 34.6 Ų | 34.6 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 109 | 174.9 | 176.3 | 16.2 | 0 | 0 | 0 | 106.4 | F130 Y159 | N73-F130 HydrophobicContact CB-CD1 4.18Å; N73-F130 HydrophobicContact CB-CE1 4.32Å; N73-Y159 PolarHBondContact N-O 2.81Å; N73-Y159 PolarHBondContact O-N 2.95Å |
| 74 | L | 51.5 | Low | 51.9 | Low | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.2 | 168.5 | -76.5 | 89.9 | 0 | 0 | 0 | 106.8 | L77 V129 F131 I143 L156 | L74-L77 HydrophobicContact CB-CD1 3.92Å; L74-L77 HydrophobicContact CD2-CD1 4.07Å; L74-V129 PolarHBondContact N-O 2.91Å; L74-F131 HydrophobicContact CD1-CD2 3.4Å; L74-F131 VanDerWaalsContact CD1-CD2 3.4Å; L74-F131 HydrophobicContact CD1-CE2 3.67Å; L74-I143 HydrophobicContact CD2-CD1 4.34Å; L74-L156 HydrophobicContact CD2-CD1 4.27Å |
| 75 | G | 48.5 | Very low | 51.6 | Low | 6 Ų | 6 | 34.7 Ų | 34.7 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | trans | -62.2 | -168.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L77 E157 | G75-L77 PolarHBondContact O-N 2.89Å; G75-E157 WeakPolarHBondContact CA-O 3.17Å; G75-E157 PolarHBondContact N-O 3.47Å | ||
| 76 | S | 40.2 | Very low | 51.1 | Low | 47 Ų | 47 | 38.1 Ų | 38.1 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | trans | -58.6 | 110.6 | -176.2 | -165.5 | 0 | 0 | 0 | 0 | 110.8 | N126 | S76-N126 PolarHBondContact OG-OD1 2.95Š| ||
| 77 | L | 48.1 | Very low | 50.4 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -88.1 | 117.9 | 166 | -74.4 | 121.8 | 0 | 0 | 0 | 107.5 | L74 G75 Y81 F123 L156 | L74-L77 HydrophobicContact CB-CD1 3.92Å; L74-L77 HydrophobicContact CD2-CD1 4.07Å; G75-L77 PolarHBondContact O-N 2.89Å; L77-Y81 HydrophobicContact CB-CD2 4.36Å; L77-Y81 HydrophobicContact CD2-CD2 3.74Å; L77-Y81 HydrophobicContact CD2-CG 3.84Å; L77-F123 HydrophobicContact CD1-CD1 4Å; L77-F123 HydrophobicContact CD1-CE1 3.93Å; L77-L156 HydrophobicContact CD1-CD1 4.34Å; L77-L156 HydrophobicContact CD2-CD1 3.7Å; L77-L156 HydrophobicContact CG-CD1 3.77Å | ||
| 78 | E | 47.1 | Very low | 49.9 | Very low | 82 Ų | 82 | 46.4 Ų | 46.4 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | trans | -57.4 | 154.3 | 163.7 | -91.3 | 177.8 | 160.4 | 0 | 0 | 110.4 | S80 Y81 | E78-S80 PolarHBondContact O-N 3.24Å; E78-Y81 WeakPolarHBondContact O-CD2 3.3Å | ||
| 79 | P | 46.4 | Very low | 49.2 | Very low | 83 Ų | 83 | 50.2 Ų | 50.2 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 22.2 | -146.4 | 29.8 | -36.7 | 0 | 0 | 0 | 116.5 | ||
| 80 | S | 50.9 | Low | 48.2 | Very low | 25 Ų | 25 | 55.7 Ų | 55.7 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 19.4 | -170.6 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | E78 D145 I146 | E78-S80 PolarHBondContact O-N 3.24Å; S80-D145 CarbonylContact O-C 3.58Å; S80-I146 VanDerWaalsContact O-CB 3.24Å; S80-I146 WeakPolarHBondContact O-CB 3.25Å; S80-I146 WeakPolarHBondContact O-CD1 3.28Å; S80-I146 WeakPolarHBondContact O-CG1 3.06Å; S80-I146 PolarHBondContact O-N 3.34Å |
| 81 | Y | 52 | Low | 47.2 | Very low | 57 Ų | 57 | 60.7 Ų | 60.7 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.4 | -179.5 | -63 | -75.3 | 0 | 0 | 0 | 114.2 | L77 E78 F123 I143 F144 D145 | L77-Y81 HydrophobicContact CB-CD2 4.36Å; L77-Y81 HydrophobicContact CD2-CD2 3.74Å; L77-Y81 HydrophobicContact CD2-CG 3.84Å; E78-Y81 WeakPolarHBondContact O-CD2 3.3Å; Y81-F123 VanDerWaalsContact O-CD2 3.31Å; Y81-F123 WeakPolarHBondContact O-CD2 3.4Å; Y81-I143 HydrophobicContact CD1-CG2 3.58Å; Y81-I143 HydrophobicContact CE1-CG2 4.47Å; Y81-I143 HydrophobicContact CG-CG2 4Å; Y81-F144 CarbonylContact C-O 3.55Å; Y81-F144 VanDerWaalsContact CA-O 3.31Å; Y81-F144 WeakPolarHBondContact CA-O 3.37Å; Y81-D145 HydrophobicContact CD1-CB 4.4Å; Y81-D145 HydrophobicContact CE1-CB 4.09Å |
| 82 | K | 55.7 | Low | 46.5 | Very low | 89 Ų | 89 | 68.8 Ų | 68.8 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.4 | 166.2 | -82.4 | 165.8 | -166.5 | 171.1 | 0 | 108.6 | I143 F144 I146 | K82-I143 WeakPolarHBondContact O-CA 3.4Å; K82-F144 HydrophobicContact CB-CB 4.22Å; K82-F144 PolarHBondContact N-O 3.45Å; K82-F144 PolarHBondContact O-N 3.37Å; K82-I146 HydrophobicContact CB-CD1 4.4Å; K82-I146 HydrophobicContact CB-CG1 4.36Å; K82-I146 HydrophobicContact CD-CD1 4.08Å; K82-I146 HydrophobicContact CD-CG1 3.91Å; K82-I146 HydrophobicContact CG-CD1 3.59Å; K82-I146 HydrophobicContact CG-CG1 3.81Å |
| 83 | V | 54.6 | Low | 45.7 | Very low | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.3 | 176 | -178.5 | 0 | 0 | 0 | 0 | 109 | T85 F123 F141 I143 | V83-T85 HydrophobicContact CG1-CG2 4.45Å; V83-F123 HydrophobicContact CB-CE2 3.86Å; V83-F123 HydrophobicContact CB-CZ 4.06Å; V83-F123 HydrophobicContact CG2-CD2 4.49Å; V83-F123 HydrophobicContact CG2-CE2 3.49Å; V83-F123 VanDerWaalsContact CG2-CE2 3.49Å; V83-F123 HydrophobicContact CG2-CZ 3.63Å; V83-F141 HydrophobicContact CG1-CD1 4.12Å; V83-I143 HydrophobicContact CG2-CG1 4.29Å |
| 84 | H | 55.4 | Low | 44.9 | Very low | 57 Ų | 57 | 79.8 Ų | 79.8 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.9 | 169.3 | -152.3 | -44.8 | 0 | 0 | 0 | 108.7 | M142 F144 | H84-M142 HydrophobicContact CB-CB 4.39Å; H84-M142 PolarHBondContact N-O 3.49Å; H84-M142 PolarHBondContact O-N 3.47Å; H84-M142 VanDerWaalsContact O-N 3.17Å; H84-F144 HydrophobicContact CB-CE2 4.15Å |
| 85 | T | 51.3 | Low | 43.8 | Very low | 40 Ų | 40 | 84.3 Ų | 84.3 | 25% | 0.245 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 149.4 | 169.4 | 58.7 | 0 | 0 | 0 | 0 | 109 | V83 F131 F141 | V83-T85 HydrophobicContact CG1-CG2 4.45Å; T85-F131 HydrophobicContact CG2-CD1 4.22Å; T85-F131 HydrophobicContact CG2-CE1 3.93Å; T85-F141 HydrophobicContact CG2-CD1 3.97Å; T85-F141 HydrophobicContact CG2-CE1 3.81Å |
| 86 | D | 51.6 | Low | 42.9 | Very low | 120 Ų | 120 | 91.2 Ų | 91.2 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 82.1 | 33.2 | 175.2 | -132.6 | 15.9 | 0 | 0 | 0 | 116.3 | T88 | D86-T88 PolarHBondContact O-N 3.41Å |
| 87 | W | 46.8 | Very low | 42.6 | Very low | 87 Ų | 87 | 97.7 Ų | 97.7 | 33% | 0.33 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.2 | 168.7 | -117.6 | 74.7 | 0 | 0 | 0 | 110.1 | M142 | W87-M142 HydrophobicContact CD2-SD 4.16Å; W87-M142 HydrophobicContact CG-CB 4.19Å; W87-M142 HydrophobicContact CH2-SD 4.49Å; W87-M142 HydrophobicContact CZ2-SD 3.7Å; W87-M142 PolarHBondContact NE1-SD 3.06Å |
| 88 | T | 45 | Very low | 42 | Very low | 97 Ų | 97 | 104.8 Ų | 104.8 | 60% | 0.595 | 54% | 0.542 | S | S | * | . | trans | -94.1 | 126.9 | 167.6 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | D86 Q90 | D86-T88 PolarHBondContact O-N 3.41Å; T88-Q90 PolarHBondContact O-N 3.5Å | ||
| 89 | E | 40.6 | Very low | 41.5 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 62% | 0.621 | 56% | 0.561 | S | S | * | * | trans | -57.4 | 101.8 | 172 | -95.7 | -179.2 | 148.9 | 0 | 0 | 108.2 | P91 | E89-P91 WeakPolarHBondContact O-CD 3.27Š| ||
| 90 | Q | 34.1 | Very low | 41 | Very low | 165 Ų | 165 | 107 Ų | 107 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | trans | -72.1 | 119.7 | 160.6 | -97.8 | -170 | -23.9 | 0 | 0 | 107.3 | T88 E92 | T88-Q90 PolarHBondContact O-N 3.5Å; Q90-E92 PolarHBondContact O-N 2.88Å | ||
| 91 | P | 30.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 113.8 Ų | 113.8 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -67 | 133.7 | 165.1 | 30.8 | -28.7 | 0 | 0 | 0 | 106.1 | E89 | E89-P91 WeakPolarHBondContact O-CD 3.27Š|
| 92 | E | 32 | Very low | 39.7 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 86% | 0.86 | 63% | 0.631 | S | S | * | * | trans | 90.8 | 52 | 178.9 | -47.7 | -179.3 | -172.3 | 0 | 0 | 117.5 | Q90 K94 | Q90-E92 PolarHBondContact O-N 2.88Å; E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 3.1Å | ||
| 93 | A | 31.5 | Very low | 38.8 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | trans | -71.1 | 91.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109 | F37 S95 | F37-A93 HydrophobicContact CE2-CB 4.21Å; F37-A93 HydrophobicContact CZ-CB 3.58Å; A93-S95 PolarHBondContact O-N 3.27Å | ||
| 94 | K | 28.9 | Very low | 37.8 | Very low | 194 Ų | 194 | 122.9 Ų | 122.9 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | trans | -48.6 | 123.6 | 168.7 | -115.3 | 173.2 | -179.7 | 171.7 | 0 | 109.1 | E92 L96 | E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 3.1Å; K94-L96 PolarHBondContact O-N 3.14Å | ||
| 95 | S | 29.8 | Very low | 36.6 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -55 | 107.4 | 170.9 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | A93 K97 | A93-S95 PolarHBondContact O-N 3.27Å; S95-K97 PolarHBondContact O-N 3.39Å | ||
| 96 | L | 29.4 | Very low | 35.8 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | -73.5 | 95.8 | 170.5 | -135.4 | 133.9 | 0 | 0 | 0 | 106.3 | K94 L98 | K94-L96 PolarHBondContact O-N 3.14Å; L96-L98 HydrophobicContact CD2-CD1 3.83Å; L96-L98 PolarHBondContact O-N 3.38Å | ||
| 97 | K | 33.6 | Very low | 34.8 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -64.8 | 107.6 | 165.5 | -76.5 | -176.9 | 174.6 | -175.7 | 0 | 107 | S95 D99 | S95-K97 PolarHBondContact O-N 3.39Å; K97-D99 PolarHBondContact O-N 3.26Å | ||
| 98 | L | 34.6 | Very low | 34.1 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -82.3 | 99.1 | 154.6 | -108.7 | 87.6 | 0 | 0 | 0 | 106.1 | L96 | L96-L98 HydrophobicContact CD2-CD1 3.83Å; L96-L98 PolarHBondContact O-N 3.38Å | ||
| 99 | D | 37.2 | Very low | 33.4 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 140.2 | 156.3 | -92.9 | -38.4 | 0 | 0 | 0 | 108 | K97 | K97-D99 PolarHBondContact O-N 3.26Š| ||
| 100 | G | 35.1 | Very low | 33.1 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -62.8 | 137.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 101 | D | 37.2 | Very low | 33 | Very low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | -154.3 | 134.6 | 127.7 | -105.9 | -24.5 | 0 | 0 | 0 | 108.7 | |||||
| 102 | D | 38.1 | Very low | 33.1 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -61.3 | 158.2 | 178.2 | -77.1 | -48 | 0 | 0 | 0 | 111.5 | ||||
| 103 | S | 36.8 | Very low | 33.1 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 89.6 | 127.3 | 169.9 | 80.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 104 | G | 33.6 | Very low | 33.3 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 114.5 | 70.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S106 | G104-S106 PolarHBondContact O-N 3.36Š| ||
| 105 | L | 30.8 | Very low | 33.6 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 99% | 0.99 | 78% | 0.783 | S | S | * | * | trans | -49.3 | 100.7 | 161.3 | -169.4 | 83.1 | 0 | 0 | 0 | 110.3 | ||||
| 106 | S | 35.1 | Very low | 33.8 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 114.7 | 164.8 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | G104 V108 | G104-S106 PolarHBondContact O-N 3.36Å; S106-V108 PolarHBondContact O-N 3.47Å | ||
| 107 | D | 30 | Very low | 34.2 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 20.3 | 92.8 | 151.9 | -59 | -27.5 | 0 | 0 | 0 | 118.8 | S109 | D107-S109 PolarHBondContact O-N 3.36Š| ||
| 108 | V | 32.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -84.5 | 91.9 | 157.4 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | S106 V110 | S106-V108 PolarHBondContact O-N 3.47Å; V108-V110 PolarHBondContact O-N 3.04Å | ||
| 109 | S | 30.1 | Very low | 34.7 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -62.6 | 99.6 | 169.6 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | D107 S111 | D107-S109 PolarHBondContact O-N 3.36Å; S109-S111 PolarHBondContact O-N 3.48Å | ||
| 110 | V | 34.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 122.8 | 166.2 | 176.1 | 0 | 0 | 0 | 0 | 107.8 | V108 N112 | V108-V110 PolarHBondContact O-N 3.04Å; V110-N112 PolarHBondContact O-N 3.49Å | ||
| 111 | S | 31.3 | Very low | 35.5 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -42 | 116.6 | -175.6 | -68 | 0 | 0 | 0 | 0 | 113.6 | S109 E113 | S109-S111 PolarHBondContact O-N 3.48Å; S111-E113 PolarHBondContact O-N 2.84Å | ||
| 112 | N | 32.4 | Very low | 35.9 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 10.7 | 178.3 | -76.1 | -32.3 | 0 | 0 | 0 | 114.3 | V110 | V110-N112 PolarHBondContact O-N 3.49Š|
| 113 | E | 33.4 | Very low | 36.4 | Very low | 186 Ų | 186 | 122.9 Ų | 122.9 | 87% | 0.869 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -4.4 | -169.1 | -128.7 | 175.8 | 160.3 | 0 | 0 | 114.7 | S111 | S111-E113 PolarHBondContact O-N 2.84Š|
| 114 | L | 34.4 | Very low | 36.7 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -103.7 | -0.7 | 175.9 | -122.5 | 90.1 | 0 | 0 | 0 | 114.4 | D116 | L114-D116 PolarHBondContact O-N 3.27Š|
| 115 | Q | 34.7 | Very low | 37.4 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -82.2 | -8.3 | -168.3 | -91.7 | -168.7 | 19.2 | 0 | 0 | 116 | ||
| 116 | D | 35.2 | Very low | 38.3 | Very low | 162 Ų | 162 | 119 Ų | 119 | 87% | 0.866 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -105.8 | 8.7 | -159.5 | -144.8 | 23.8 | 0 | 0 | 0 | 116.2 | L114 | L114-D116 PolarHBondContact O-N 3.27Š|
| 117 | K | 37.4 | Very low | 38.9 | Very low | 199 Ų | 199 | 116 Ų | 116 | 87% | 0.865 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -134.5 | -6.2 | -177.1 | -107.3 | 177.2 | -178.8 | 172.6 | 0 | 118 | ||
| 118 | N | 37 | Very low | 40 | Very low | 81 Ų | 81 | 117 Ų | 117 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -116.1 | 125.9 | -177.2 | -68.8 | -21.5 | 0 | 0 | 0 | 110 | K120 | N118-K120 PolarHBondContact O-N 3.28Š|
| 119 | S | 41 | Very low | 40.8 | Very low | 84 Ų | 84 | 112 Ų | 112 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | trans | -53 | 102.5 | -171.5 | 52 | 0 | 0 | 0 | 0 | 112.2 | I121 | S119-I121 PolarHBondContact O-N 2.84Å; S119-I121 VanDerWaalsContact O-N 3.13Å | ||
| 120 | K | 38.9 | Very low | 41.8 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 62% | 0.622 | 59% | 0.587 | S | S | * | * | trans | -73.3 | 97.7 | 175 | -173.8 | 178.1 | -177.6 | 177.9 | 0 | 109.2 | N118 I122 | N118-K120 PolarHBondContact O-N 3.28Å; K120-I122 HydrophobicContact CG-CG1 4.37Å | ||
| 121 | I | 50.4 | Low | 42.7 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 33% | 0.333 | 56% | 0.557 | S | S | . | * | trans | -92.5 | 113.9 | 172.7 | -55.2 | 174.6 | 0 | 0 | 0 | 107.6 | S119 F123 F131 | S119-I121 PolarHBondContact O-N 2.84Å; S119-I121 VanDerWaalsContact O-N 3.13Å; I121-F123 HydrophobicContact CB-CE2 4.36Å; I121-F123 HydrophobicContact CG2-CD2 4.48Å; I121-F123 HydrophobicContact CG2-CE1 4.42Å; I121-F123 HydrophobicContact CG2-CE2 4.13Å; I121-F123 HydrophobicContact CG2-CZ 4.11Å; I121-F131 HydrophobicContact CD1-CE1 4.18Å; I121-F131 HydrophobicContact CD1-CZ 4.38Å | ||
| 122 | I | 45.7 | Very low | 43.6 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | B | Isolated β-bridge | trans | -94.1 | 122.2 | 171.7 | -59.1 | 174.8 | 0 | 0 | 0 | 106.8 | K120 | K120-I122 HydrophobicContact CG-CG1 4.37Å |
| 123 | F | 49.8 | Very low | 44.6 | Very low | 10 Ų | 10 | 102.7 Ų | 102.7 | 4% | 0.044 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 134.5 | -177.2 | -64.1 | -99.1 | 0 | 0 | 0 | 110.6 | L77 Y81 V83 I121 V129 F131 | L77-F123 HydrophobicContact CD1-CD1 4Å; L77-F123 HydrophobicContact CD1-CE1 3.93Å; Y81-F123 VanDerWaalsContact O-CD2 3.31Å; Y81-F123 WeakPolarHBondContact O-CD2 3.4Å; V83-F123 HydrophobicContact CB-CE2 3.86Å; V83-F123 HydrophobicContact CB-CZ 4.06Å; V83-F123 HydrophobicContact CG2-CD2 4.49Å; V83-F123 HydrophobicContact CG2-CE2 3.49Å; V83-F123 VanDerWaalsContact CG2-CE2 3.49Å; V83-F123 HydrophobicContact CG2-CZ 3.63Å; I121-F123 HydrophobicContact CB-CE2 4.36Å; I121-F123 HydrophobicContact CG2-CD2 4.48Å; I121-F123 HydrophobicContact CG2-CE1 4.42Å; I121-F123 HydrophobicContact CG2-CE2 4.13Å; I121-F123 HydrophobicContact CG2-CZ 4.11Å; F123-V129 HydrophobicContact CD1-CG2 3.69Å; F123-V129 HydrophobicContact CE1-CB 3.76Å; F123-V129 HydrophobicContact CE1-CG1 4.36Å; F123-V129 HydrophobicContact CE1-CG2 3.27Å; F123-V129 HydrophobicContact CZ-CG2 4.32Å; F123-F131 HydrophobicContact CZ-CE2 4.46Å; F123-F131 HydrophobicContact CZ-CZ 4.16Å |
| 124 | S | 43 | Very low | 45.5 | Very low | 84 Ų | 84 | 95.6 Ų | 95.6 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -98.3 | 151.3 | 170.2 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | N126 S127 | S124-N126 PolarHBondContact O-N 3.46Å; S124-S127 PolarHBondContact N-OG 2.86Å; S124-S127 WeakPolarHBondContact O-CB 3.49Å; S124-S127 PolarHBondContact O-N 3.29Å; S124-S127 PolarHBondContact O-OG 3.14Å |
| 125 | N | 47.1 | Very low | 46.3 | Very low | 97 Ų | 97 | 89.7 Ų | 89.7 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 128.5 | 179.1 | -163.4 | 2.1 | 0 | 0 | 0 | 111.3 | S127 | N125-S127 PolarHBondContact O-N 3.14Š|
| 126 | N | 50.8 | Low | 47.3 | Very low | 122 Ų | 122 | 87.2 Ų | 87.2 | 65% | 0.652 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 17.2 | -175 | -72.4 | -21.6 | 0 | 0 | 0 | 118.2 | S76 S124 R128 | S76-N126 PolarHBondContact OG-OD1 2.95Å; S124-N126 PolarHBondContact O-N 3.46Å; N126-R128 PolarHBondContact O-N 3.37Å |
| 127 | S | 47.6 | Very low | 48.1 | Very low | 36 Ų | 36 | 82.2 Ų | 82.2 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | trans | -77.4 | 118 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | S124 N125 | S124-S127 PolarHBondContact N-OG 2.86Å; S124-S127 WeakPolarHBondContact O-CB 3.49Å; S124-S127 PolarHBondContact O-N 3.29Å; S124-S127 PolarHBondContact O-OG 3.14Å; N125-S127 PolarHBondContact O-N 3.14Å | ||
| 128 | R | 52.2 | Low | 48.9 | Very low | 182 Ų | 182 | 80 Ų | 80 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | trans | -82.2 | 131 | 167.1 | -63.7 | -178 | -175.7 | -175.3 | -0.8 | 108.5 | N126 | N126-R128 PolarHBondContact O-N 3.37Š| ||
| 129 | V | 51.2 | Low | 49.9 | Very low | 29 Ų | 29 | 77.5 Ų | 77.5 | 18% | 0.176 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.9 | 177 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L74 F123 F131 | L74-V129 PolarHBondContact N-O 2.91Å; F123-V129 HydrophobicContact CD1-CG2 3.69Å; F123-V129 HydrophobicContact CE1-CB 3.76Å; F123-V129 HydrophobicContact CE1-CG1 4.36Å; F123-V129 HydrophobicContact CE1-CG2 3.27Å; F123-V129 HydrophobicContact CZ-CG2 4.32Å; V129-F131 HydrophobicContact CB-CD2 4.42Å; V129-F131 HydrophobicContact CB-CE2 3.76Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG1-CD2 3.91Å; V129-F131 HydrophobicContact CG1-CE1 4.09Å; V129-F131 HydrophobicContact CG1-CE2 3.3Å; V129-F131 HydrophobicContact CG1-CZ 3.41Å; V129-F131 VanDerWaalsContact CG1-CZ 3.41Å |
| 130 | F | 49.8 | Very low | 50.7 | Low | 142 Ų | 142 | 74 Ų | 74 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.2 | 178.4 | -58.5 | -82.3 | 0 | 0 | 0 | 108.8 | N73 | N73-F130 HydrophobicContact CB-CD1 4.18Å; N73-F130 HydrophobicContact CB-CE1 4.32Å |
| 131 | F | 54.1 | Low | 51.8 | Low | 26 Ų | 26 | 67.9 Ų | 67.9 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.8 | 171.4 | -64.9 | -85.1 | 0 | 0 | 0 | 109.2 | T71 L72 L74 T85 I121 F123 V129 L133 | T71-F131 CarbonylContact C-O 3.6Å; T71-F131 WeakPolarHBondContact CA-O 3.32Å; L72-F131 PolarHBondContact N-O 3.21Å; L72-F131 PolarHBondContact O-N 3.12Å; L74-F131 HydrophobicContact CD1-CD2 3.4Å; L74-F131 VanDerWaalsContact CD1-CD2 3.4Å; L74-F131 HydrophobicContact CD1-CE2 3.67Å; T85-F131 HydrophobicContact CG2-CD1 4.22Å; T85-F131 HydrophobicContact CG2-CE1 3.93Å; I121-F131 HydrophobicContact CD1-CE1 4.18Å; I121-F131 HydrophobicContact CD1-CZ 4.38Å; F123-F131 HydrophobicContact CZ-CE2 4.46Å; F123-F131 HydrophobicContact CZ-CZ 4.16Å; V129-F131 HydrophobicContact CB-CD2 4.42Å; V129-F131 HydrophobicContact CB-CE2 3.76Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG1-CD2 3.91Å; V129-F131 HydrophobicContact CG1-CE1 4.09Å; V129-F131 HydrophobicContact CG1-CE2 3.3Å; V129-F131 HydrophobicContact CG1-CZ 3.41Å; V129-F131 VanDerWaalsContact CG1-CZ 3.41Å; F131-L133 HydrophobicContact CB-CD1 3.85Å |
| 132 | T | 49.5 | Very low | 52.3 | Low | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 106.9 | 170.4 | 30.7 | 0 | 0 | 0 | 0 | 108.4 | T71 | T71-T132 HydrophobicContact CG2-CG2 3.83Å |
| 133 | L | 53.7 | Low | 53.3 | Low | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 143.6 | 177.2 | -77.6 | 79 | 0 | 0 | 0 | 110.8 | P46 T70 L72 F131 T139 F141 | P46-L133 HydrophobicContact CG-CD2 4.45Å; T70-L133 PolarHBondContact O-N 3.46Å; T70-L133 PolarHBondContact OG1-O 2.91Å; T70-L133 VanDerWaalsContact OG1-O 3.05Å; L72-L133 HydrophobicContact CB-CD1 3.69Å; L72-L133 HydrophobicContact CD1-CD1 3.34Å; L72-L133 HydrophobicContact CD1-CD2 3.55Å; L72-L133 HydrophobicContact CD1-CG 3.96Å; L72-L133 HydrophobicContact CG-CD1 3.92Å; F131-L133 HydrophobicContact CB-CD1 3.85Å; L133-T139 WeakPolarHBondContact CD2-OG1 3.44Å; L133-F141 HydrophobicContact CD1-CE2 4.17Å; L133-F141 HydrophobicContact CD1-CZ 3.63Å; L133-F141 HydrophobicContact CD2-CE2 3.36Å; L133-F141 HydrophobicContact CD2-CZ 3.35Å; L133-F141 HydrophobicContact CG-CE2 4.19Å; L133-F141 HydrophobicContact CG-CZ 3.7Å |
| 134 | P | 51.6 | Low | 53.8 | Low | 37 Ų | 37 | 62.8 Ų | 62.8 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | trans | -69.3 | 136.5 | 158.8 | 30.3 | -30 | 0 | 0 | 0 | 108.7 | I136 T139 | P134-I136 PolarHBondContact O-N 3.07Å; P134-T139 HydrophobicContact CG-CG2 4.22Å | ||
| 135 | S | 52.7 | Low | 54.7 | Low | 22 Ų | 22 | 60.8 Ų | 60.8 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -61.8 | -22.6 | 177.6 | -31.4 | 0 | 0 | 0 | 0 | 112.1 | Y68 | Y68-S135 PolarHBondContact O-OG 3.49Š|
| 136 | I | 54.2 | Low | 55.3 | Low | 90 Ų | 90 | 59.5 Ų | 59.5 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -152.4 | 133.5 | -178.4 | -51.8 | 176.5 | 0 | 0 | 0 | 107.4 | P134 P315 | P134-I136 PolarHBondContact O-N 3.07Å; I136-P315 HydrophobicContact CB-CB 4.43Å; I136-P315 HydrophobicContact CG2-CB 4.06Å; I136-P315 HydrophobicContact CG2-CG 4.13Å |
| 137 | P | 52.3 | Low | 55.6 | Low | 57 Ų | 57 | 60.8 Ų | 60.8 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | S | Bend | cis | -82.1 | 168.1 | 2.4 | 32.4 | -33.4 | 0 | 0 | 0 | 114.2 | T139 | P137-T139 PolarHBondContact O-N 3.17Š|
| 138 | K | 55.7 | Low | 55.9 | Low | 152 Ų | 152 | 62.5 Ų | 62.5 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | trans | -51.5 | 110.6 | 176.7 | -67.8 | -173.8 | 175.1 | -167.2 | 0 | 109.1 | E47 | E47-K138 IonicContact OE1-NZ 3.43Å; E47-K138 PolarHBondContact OE1-NZ 3.36Å | ||
| 139 | T | 56.5 | Low | 56 | Low | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | trans | -100.7 | 118.6 | 177.4 | 32.8 | 0 | 0 | 0 | 0 | 108 | P46 L133 P134 P137 | P46-T139 WeakPolarHBondContact CD-O 3.11Å; L133-T139 WeakPolarHBondContact CD2-OG1 3.44Å; P134-T139 HydrophobicContact CG-CG2 4.22Å; P137-T139 PolarHBondContact O-N 3.17Å | ||
| 140 | C | 58.7 | Low | 56 | Low | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 146.3 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | V43 I44 C45 | V43-C140 HydrophobicContact CG1-CB 4.18Å; I44-C140 WeakPolarHBondContact O-CA 3.33Å; C45-C140 HydrophobicContact CB-CB 4.16Å; C45-C140 WeakPolarHBondContact CB-SG 3.42Å; C45-C140 WeakPolarHBondContact SG-CB 3.36Å; C45-C140 CovalentContact SG-SG 2.04Å; C45-C140 PolarHBondContact SG-SG 3.5Å |
| 141 | F | 62.5 | Low | 55.7 | Low | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.1 | 174 | -59.8 | -81.4 | 0 | 0 | 0 | 109.5 | V43 I44 L72 V83 T85 L133 | V43-F141 CarbonylContact C-O 3.56Å; V43-F141 WeakPolarHBondContact CA-O 3.28Å; I44-F141 PolarHBondContact N-O 2.86Å; I44-F141 PolarHBondContact O-N 3.22Å; L72-F141 HydrophobicContact CD1-CE2 4.11Å; V83-F141 HydrophobicContact CG1-CD1 4.12Å; T85-F141 HydrophobicContact CG2-CD1 3.97Å; T85-F141 HydrophobicContact CG2-CE1 3.81Å; L133-F141 HydrophobicContact CD1-CE2 4.17Å; L133-F141 HydrophobicContact CD1-CZ 3.63Å; L133-F141 HydrophobicContact CD2-CE2 3.36Å; L133-F141 HydrophobicContact CD2-CZ 3.35Å; L133-F141 HydrophobicContact CG-CE2 4.19Å; L133-F141 HydrophobicContact CG-CZ 3.7Å |
| 142 | M | 60.7 | Low | 55.4 | Low | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.7 | 166.7 | -169 | 170.8 | -172.2 | 0 | 0 | 108.7 | S41 V43 H84 W87 F144 | S41-M142 WeakPolarHBondContact OG-CE 3.31Å; V43-M142 HydrophobicContact CG2-CB 4.31Å; V43-M142 HydrophobicContact CG2-CG 3.98Å; V43-M142 HydrophobicContact CG2-SD 4.44Å; H84-M142 HydrophobicContact CB-CB 4.39Å; H84-M142 PolarHBondContact N-O 3.49Å; H84-M142 PolarHBondContact O-N 3.47Å; H84-M142 VanDerWaalsContact O-N 3.17Å; W87-M142 HydrophobicContact CD2-SD 4.16Å; W87-M142 HydrophobicContact CG-CB 4.19Å; W87-M142 HydrophobicContact CH2-SD 4.49Å; W87-M142 HydrophobicContact CZ2-SD 3.7Å; W87-M142 PolarHBondContact NE1-SD 3.06Å; M142-F144 HydrophobicContact CB-CE2 4.21Å; M142-F144 HydrophobicContact CE-CD1 4.24Å; M142-F144 HydrophobicContact CE-CE1 3.38Å; M142-F144 HydrophobicContact CE-CE2 4.35Å; M142-F144 HydrophobicContact CE-CZ 3.46Å; M142-F144 VanDerWaalsContact CE-CZ 3.46Å; M142-F144 HydrophobicContact CG-CD2 4.27Å; M142-F144 HydrophobicContact CG-CE1 4.34Å; M142-F144 HydrophobicContact CG-CE2 3.71Å; M142-F144 HydrophobicContact CG-CZ 3.76Å; M142-F144 HydrophobicContact SD-CE1 3.86Å; M142-F144 HydrophobicContact SD-CE2 3.76Å; M142-F144 HydrophobicContact SD-CZ 3.24Å; M142-F144 WeakPolarHBondContact SD-CZ 3.25Å |
| 143 | I | 65.7 | Low | 55.4 | Low | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.6 | 176.1 | -52.1 | -174.7 | 0 | 0 | 0 | 107.7 | S41 F42 I44 L74 Y81 K82 V83 L156 | S41-I143 WeakPolarHBondContact CA-O 3.37Å; F42-I143 PolarHBondContact N-O 3.41Å; F42-I143 PolarHBondContact O-N 3.34Å; I44-I143 HydrophobicContact CD1-CD1 3.66Å; I44-I143 HydrophobicContact CD1-CG1 4.46Å; L74-I143 HydrophobicContact CD2-CD1 4.34Å; Y81-I143 HydrophobicContact CD1-CG2 3.58Å; Y81-I143 HydrophobicContact CE1-CG2 4.47Å; Y81-I143 HydrophobicContact CG-CG2 4Å; K82-I143 WeakPolarHBondContact O-CA 3.4Å; V83-I143 HydrophobicContact CG2-CG1 4.29Å; I143-L156 HydrophobicContact CD1-CD2 3.75Å |
| 144 | F | 59.9 | Low | 55.1 | Low | 72 Ų | 72 | 78.5 Ų | 78.5 | 32% | 0.316 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134 | 175.3 | -61.9 | -91.1 | 0 | 0 | 0 | 110.3 | Y81 K82 H84 M142 | Y81-F144 CarbonylContact C-O 3.55Å; Y81-F144 VanDerWaalsContact CA-O 3.31Å; Y81-F144 WeakPolarHBondContact CA-O 3.37Å; K82-F144 HydrophobicContact CB-CB 4.22Å; K82-F144 PolarHBondContact N-O 3.45Å; K82-F144 PolarHBondContact O-N 3.37Å; H84-F144 HydrophobicContact CB-CE2 4.15Å; M142-F144 HydrophobicContact CB-CE2 4.21Å; M142-F144 HydrophobicContact CE-CD1 4.24Å; M142-F144 HydrophobicContact CE-CE1 3.38Å; M142-F144 HydrophobicContact CE-CE2 4.35Å; M142-F144 HydrophobicContact CE-CZ 3.46Å; M142-F144 VanDerWaalsContact CE-CZ 3.46Å; M142-F144 HydrophobicContact CG-CD2 4.27Å; M142-F144 HydrophobicContact CG-CE1 4.34Å; M142-F144 HydrophobicContact CG-CE2 3.71Å; M142-F144 HydrophobicContact CG-CZ 3.76Å; M142-F144 HydrophobicContact SD-CE1 3.86Å; M142-F144 HydrophobicContact SD-CE2 3.76Å; M142-F144 HydrophobicContact SD-CZ 3.24Å; M142-F144 WeakPolarHBondContact SD-CZ 3.25Å |
| 145 | D | 62.2 | Low | 54.9 | Low | 43 Ų | 43 | 84.9 Ų | 84.9 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.1 | 167 | -172.6 | 0.8 | 0 | 0 | 0 | 109.8 | K40 S80 Y81 K147 | K40-D145 PolarHBondContact O-N 3.01Å; S80-D145 CarbonylContact O-C 3.58Å; Y81-D145 HydrophobicContact CD1-CB 4.4Å; Y81-D145 HydrophobicContact CE1-CB 4.09Å; D145-K147 PolarHBondContact OD1-N 2.86Å |
| 146 | I | 59.5 | Low | 54.7 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 35% | 0.354 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -88.3 | -19.1 | -177.4 | -52.7 | 163.4 | 0 | 0 | 0 | 110.6 | S80 K82 | S80-I146 VanDerWaalsContact O-CB 3.24Å; S80-I146 WeakPolarHBondContact O-CB 3.25Å; S80-I146 WeakPolarHBondContact O-CD1 3.28Å; S80-I146 WeakPolarHBondContact O-CG1 3.06Å; S80-I146 PolarHBondContact O-N 3.34Å; K82-I146 HydrophobicContact CB-CD1 4.4Å; K82-I146 HydrophobicContact CB-CG1 4.36Å; K82-I146 HydrophobicContact CD-CD1 4.08Å; K82-I146 HydrophobicContact CD-CG1 3.91Å; K82-I146 HydrophobicContact CG-CD1 3.59Å; K82-I146 HydrophobicContact CG-CG1 3.81Å |
| 147 | K | 57 | Low | 54.5 | Low | 149 Ų | 149 | 86.6 Ų | 86.6 | 65% | 0.648 | 44% | 0.439 | S | S | * | . | trans | -148 | 96.2 | -179 | -78.2 | -171.3 | 177.4 | -179.3 | 0 | 111.9 | D145 D149 | D145-K147 PolarHBondContact OD1-N 2.86Å; K147-D149 PolarHBondContact O-N 3.44Å | ||
| 148 | P | 55 | Low | 54.6 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 0.4 | -178.8 | 31 | -35.7 | 0 | 0 | 0 | 115 | Y150 | P148-Y150 PolarHBondContact O-N 2.97Š|
| 149 | D | 54.3 | Low | 54.4 | Low | 143 Ų | 143 | 83.8 Ų | 83.8 | 77% | 0.765 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 1.5 | -166.1 | -77.4 | -19.2 | 0 | 0 | 0 | 115.6 | K147 | K147-D149 PolarHBondContact O-N 3.44Š|
| 150 | Y | 51.5 | Low | 54.3 | Low | 200 Ų | 200 | 83.6 Ų | 83.6 | 78% | 0.784 | 42% | 0.42 | S | S | * | . | trans | -123.6 | 112.7 | 176 | -80.1 | -91.1 | 0 | 0 | 0 | 111 | P148 D152 | P148-Y150 PolarHBondContact O-N 2.97Å; Y150-D152 PolarHBondContact O-N 3.34Å | ||
| 151 | M | 42.2 | Very low | 54 | Low | 196 Ų | 196 | 87.1 Ų | 87.1 | 97% | 0.966 | 44% | 0.438 | S | S | * | . | trans | -73.4 | 48.6 | 176.9 | -79.7 | -81.9 | 178.4 | 0 | 0 | 112.6 | ||||
| 152 | D | 47.4 | Very low | 53.7 | Low | 118 Ų | 118 | 90.4 Ų | 90.4 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | trans | -91.8 | 117.9 | 167.8 | -89 | -31.1 | 0 | 0 | 0 | 108.8 | Y150 G154 | Y150-D152 PolarHBondContact O-N 3.34Å; D152-G154 PolarHBondContact O-N 3.03Å | ||
| 153 | S | 49.4 | Very low | 53.8 | Low | 118 Ų | 118 | 94.3 Ų | 94.3 | 83% | 0.825 | 47% | 0.471 | S | S | * | . | trans | -70.8 | 77.6 | 177.2 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 154 | G | 48.1 | Very low | 53.8 | Low | 40 Ų | 40 | 95.2 Ų | 95.2 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | trans | -68 | 132.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | D152 | D152-G154 PolarHBondContact O-N 3.03Š| ||
| 155 | Y | 47 | Very low | 54.3 | Low | 170 Ų | 170 | 93.7 Ų | 93.7 | 67% | 0.667 | 47% | 0.47 | S | S | * | . | trans | -94.5 | 128.1 | 172.7 | 57.8 | -87 | 0 | 0 | 0 | 109.5 | E157 | Y155-E157 HydrophobicContact CD2-CG 3.92Å; Y155-E157 HydrophobicContact CE2-CG 4.16Å; Y155-E157 WeakPolarHBondContact CE2-OE1 3.4Å | ||
| 156 | L | 49.4 | Very low | 55 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 36% | 0.361 | 48% | 0.484 | S | S | . | . | trans | -91.9 | 101.6 | 173.1 | -175 | 71 | 0 | 0 | 0 | 109.2 | I44 L74 L77 I143 I158 | I44-L156 HydrophobicContact CD1-CD2 3.95Å; L74-L156 HydrophobicContact CD2-CD1 4.27Å; L77-L156 HydrophobicContact CD1-CD1 4.34Å; L77-L156 HydrophobicContact CD2-CD1 3.7Å; L77-L156 HydrophobicContact CG-CD1 3.77Å; I143-L156 HydrophobicContact CD1-CD2 3.75Å; L156-I158 HydrophobicContact CD2-CD1 3.93Å; L156-I158 HydrophobicContact CD2-CG1 4.04Å; L156-I158 HydrophobicContact CG-CD1 4.42Å; L156-I158 HydrophobicContact CG-CG1 4.01Å | ||
| 157 | E | 50.5 | Low | 55.8 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | trans | -81.1 | 117.5 | 170.8 | -86.8 | 173.6 | -159.6 | 0 | 0 | 110.5 | G75 Y155 Y159 | G75-E157 WeakPolarHBondContact CA-O 3.17Å; G75-E157 PolarHBondContact N-O 3.47Å; Y155-E157 HydrophobicContact CD2-CG 3.92Å; Y155-E157 HydrophobicContact CE2-CG 4.16Å; Y155-E157 WeakPolarHBondContact CE2-OE1 3.4Å; E157-Y159 HydrophobicContact CB-CD2 4.28Å; E157-Y159 HydrophobicContact CB-CE2 3.66Å; E157-Y159 VanDerWaalsContact CD-OH 3.3Å; E157-Y159 HydrophobicContact CG-CE2 4.21Å; E157-Y159 WeakPolarHBondContact OE2-CE2 3.37Å; E157-Y159 VanDerWaalsContact OE2-CZ 3.27Å; E157-Y159 PolarHBondContact OE2-OH 3.09Å | ||
| 158 | I | 54 | Low | 56.8 | Low | 39 Ų | 39 | 95.9 Ų | 95.9 | 20% | 0.2 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 108.6 | 175.7 | -55.7 | 173.4 | 0 | 0 | 0 | 108.1 | L32 I44 L72 L156 | L32-I158 HydrophobicContact CD1-CD1 4.33Å; I44-I158 HydrophobicContact CD1-CD1 3.84Å; I44-I158 HydrophobicContact CG2-CD1 4.49Å; L72-I158 HydrophobicContact CD2-CG2 3.46Å; L72-I158 VanDerWaalsContact CD2-CG2 3.46Å; L156-I158 HydrophobicContact CD2-CD1 3.93Å; L156-I158 HydrophobicContact CD2-CG1 4.04Å; L156-I158 HydrophobicContact CG-CD1 4.42Å; L156-I158 HydrophobicContact CG-CG1 4.01Å |
| 159 | Y | 52.1 | Low | 58 | Low | 112 Ų | 112 | 93 Ų | 93 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.3 | 174.5 | -65.4 | -86.5 | 0 | 0 | 0 | 109.5 | N73 E157 | N73-Y159 PolarHBondContact N-O 2.81Å; N73-Y159 PolarHBondContact O-N 2.95Å; E157-Y159 HydrophobicContact CB-CD2 4.28Å; E157-Y159 HydrophobicContact CB-CE2 3.66Å; E157-Y159 VanDerWaalsContact CD-OH 3.3Å; E157-Y159 HydrophobicContact CG-CE2 4.21Å; E157-Y159 WeakPolarHBondContact OE2-CE2 3.37Å; E157-Y159 VanDerWaalsContact OE2-CZ 3.27Å; E157-Y159 PolarHBondContact OE2-OH 3.09Å |
| 160 | S | 52.5 | Low | 59.3 | Low | 23 Ų | 23 | 88.9 Ų | 88.9 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.6 | 166.1 | 72 | 0 | 0 | 0 | 0 | 109.6 | L28 T71 F162 | L28-S160 WeakPolarHBondContact CD1-OG 3.31Å; T71-S160 CarbonylContact O-C 3.59Å; T71-S160 WeakPolarHBondContact O-CA 3.33Å; S160-F162 WeakPolarHBondContact OG-CE2 3.16Å |
| 161 | N | 53.8 | Low | 60.9 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110 | 167.1 | -70.4 | -17.4 | 0 | 0 | 0 | 108.1 | T71 E163 | T71-N161 PolarHBondContact N-O 3.24Å; T71-N161 PolarHBondContact O-N 3.34Å; T71-N161 VanDerWaalsContact OG1-CB 3.28Å; T71-N161 WeakPolarHBondContact OG1-CB 3.47Å; T71-N161 PolarHBondContact OG1-O 2.8Å; N161-E163 PolarHBondContact O-N 3.4Å |
| 162 | F | 55.9 | Low | 62.9 | Low | 85 Ų | 85 | 73.4 Ų | 73.4 | 37% | 0.373 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 100.8 | 168.8 | -73 | -93.7 | 0 | 0 | 0 | 107.8 | Y68 T70 S160 | Y68-F162 HydrophobicContact CD1-CB 4.35Å; Y68-F162 HydrophobicContact CD1-CD1 4.07Å; T70-F162 HydrophobicContact CG2-CD1 3.42Å; T70-F162 VanDerWaalsContact CG2-CD1 3.42Å; T70-F162 HydrophobicContact CG2-CE1 3.13Å; T70-F162 HydrophobicContact CG2-CG 4.34Å; T70-F162 HydrophobicContact CG2-CZ 3.83Å; S160-F162 WeakPolarHBondContact OG-CE2 3.16Å |
| 163 | E | 62.7 | Low | 64.7 | Low | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.9 | 172.7 | -69.2 | -175.8 | 155.5 | 0 | 0 | 108.7 | K69 N161 | K69-E163 HydrophobicContact CB-CB 4.46Å; K69-E163 PolarHBondContact N-O 3.35Å; K69-E163 IonicContact NZ-OE2 2.84Å; K69-E163 PolarHBondContact NZ-OE2 2.98Å; K69-E163 PolarHBondContact O-N 3.4Å; N161-E163 PolarHBondContact O-N 3.4Å |
| 164 | F | 65.9 | Low | 66.5 | Low | 27 Ų | 27 | 66.6 Ų | 66.6 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.6 | 172.2 | -173.8 | -106.3 | 0 | 0 | 0 | 109.6 | V19 I63 G67 Y68 R166 L169 | V19-F164 HydrophobicContact CG1-CZ 4.19Å; I63-F164 HydrophobicContact CG2-CE2 4.46Å; G67-F164 CarbonylContact O-C 3.51Å; G67-F164 WeakPolarHBondContact O-CA 3.26Å; G67-F164 WeakPolarHBondContact O-CD2 3.31Å; Y68-F164 AromaticContact CD2-CD2 3.97Å; Y68-F164 HydrophobicContact CD2-CD2 3.97Å; Y68-F164 HydrophobicContact CD2-CE2 4.21Å; Y68-F164 AromaticContact CE2-CD2 3.85Å; Y68-F164 HydrophobicContact CE2-CD2 3.85Å; Y68-F164 AromaticContact CE2-CE2 3.96Å; Y68-F164 HydrophobicContact CE2-CE2 3.96Å; Y68-F164 HydrophobicContact CG-CD2 4.48Å; F164-R166 VanDerWaalsContact C-N 3.26Å; F164-R166 HydrophobicContact CD1-CB 4.48Å; F164-R166 HydrophobicContact CD1-CG 3.62Å; F164-R166 HydrophobicContact CE1-CG 3.98Å; F164-R166 PolarHBondContact O-N 3.1Å; F164-L169 HydrophobicContact CE1-CD1 4.15Å; F164-L169 HydrophobicContact CE2-CD1 4.24Å; F164-L169 HydrophobicContact CZ-CB 4.3Å; F164-L169 HydrophobicContact CZ-CD1 3.38Å; F164-L169 HydrophobicContact CZ-CG 4.45Å |
| 165 | D | 70.3 | Confident | 68.4 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -72 | 79.8 | 176.2 | -85.4 | -11.6 | 0 | 0 | 0 | 109.6 | G67 S167 R168 L169 | G67-D165 PolarHBondContact O-N 3.2Å; D165-S167 PolarHBondContact O-N 2.87Å; D165-S167 VanDerWaalsContact O-N 3.12Å; D165-R168 HydrophobicContact CB-CB 4.22Å; D165-R168 HydrophobicContact CB-CG 3.96Å; D165-R168 PolarHBondContact O-N 3.46Å; D165-R168 IonicContact OD2-NE 3.35Å; D165-R168 PolarHBondContact OD2-NE 2.85Å; D165-R168 VanDerWaalsContact OD2-NE 3.07Å; D165-L169 PolarHBondContact O-N 2.87Å | ||
| 166 | R | 76.2 | Confident | 70.2 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.6 | -37 | 177.6 | -71.5 | -175.9 | -179.8 | 159.4 | 2.2 | 112.5 | F164 R168 L169 V170 | F164-R166 VanDerWaalsContact C-N 3.26Å; F164-R166 HydrophobicContact CD1-CB 4.48Å; F164-R166 HydrophobicContact CD1-CG 3.62Å; F164-R166 HydrophobicContact CE1-CG 3.98Å; F164-R166 PolarHBondContact O-N 3.1Å; R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 PolarHBondContact O-N 3.36Å; R166-L169 PolarHBondContact O-N 3.02Å; R166-V170 VanDerWaalsContact O-CG2 3.31Å; R166-V170 WeakPolarHBondContact O-CG2 3.19Å; R166-V170 PolarHBondContact O-N 3.34Å |
| 167 | S | 77.9 | Confident | 72 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | D165 L171 | D165-S167 PolarHBondContact O-N 2.87Å; D165-S167 VanDerWaalsContact O-N 3.12Å; S167-L171 WeakPolarHBondContact O-CB 3.4Å; S167-L171 PolarHBondContact O-N 3.35Å |
| 168 | R | 77.9 | Confident | 73.8 | Confident | 82 Ų | 82 | 56 Ų | 56 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 177.5 | -69.3 | 179.8 | -179.1 | -109.4 | -4.6 | 111.5 | I66 D165 R166 L171 S172 S311 | I66-R168 HydrophobicContact CG2-CB 4.48Å; I66-R168 VanDerWaalsContact O-CB 3.27Å; I66-R168 WeakPolarHBondContact O-CB 3.43Å; I66-R168 WeakPolarHBondContact O-CD 3.22Å; D165-R168 HydrophobicContact CB-CB 4.22Å; D165-R168 HydrophobicContact CB-CG 3.96Å; D165-R168 PolarHBondContact O-N 3.46Å; D165-R168 IonicContact OD2-NE 3.35Å; D165-R168 PolarHBondContact OD2-NE 2.85Å; D165-R168 VanDerWaalsContact OD2-NE 3.07Å; R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 PolarHBondContact O-N 3.36Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.95Å; R168-S172 PolarHBondContact O-N 2.93Å; R168-S311 WeakPolarHBondContact O-CB 3.47Å |
| 169 | L | 80 | Confident | 75.3 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.3 | -167.8 | 156 | 0 | 0 | 0 | 110.9 | V16 I63 I66 F164 D165 R166 L171 S172 V173 | V16-L169 HydrophobicContact CB-CD2 4.01Å; V16-L169 HydrophobicContact CG1-CD2 3.75Å; V16-L169 HydrophobicContact CG2-CD2 3.19Å; I63-L169 HydrophobicContact CG2-CD1 4.37Å; I66-L169 HydrophobicContact CG2-CB 4.35Å; F164-L169 HydrophobicContact CE1-CD1 4.15Å; F164-L169 HydrophobicContact CE2-CD1 4.24Å; F164-L169 HydrophobicContact CZ-CB 4.3Å; F164-L169 HydrophobicContact CZ-CD1 3.38Å; F164-L169 HydrophobicContact CZ-CG 4.45Å; D165-L169 PolarHBondContact O-N 2.87Å; R166-L169 PolarHBondContact O-N 3.02Å; L169-L171 PolarHBondContact O-N 3.34Å; L169-S172 WeakPolarHBondContact O-CB 3.36Å; L169-S172 PolarHBondContact O-N 3.38Å; L169-S172 VanDerWaalsContact O-N 3.1Å; L169-V173 HydrophobicContact CD2-CG2 3.64Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 3.15Å |
| 170 | V | 81.6 | Confident | 76.9 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | V16 R166 S172 V173 I174 | V16-V170 HydrophobicContact CG1-CG2 3.83Å; R166-V170 VanDerWaalsContact O-CG2 3.31Å; R166-V170 WeakPolarHBondContact O-CG2 3.19Å; R166-V170 PolarHBondContact O-N 3.34Å; V170-S172 PolarHBondContact O-N 2.92Å; V170-V173 PolarHBondContact O-N 3.4Å; V170-I174 HydrophobicContact CG1-CD1 3.63Å; V170-I174 HydrophobicContact CG1-CG1 4.36Å; V170-I174 WeakPolarHBondContact O-CB 3.29Å; V170-I174 VanDerWaalsContact O-CG1 3.23Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.5Å |
| 171 | L | 84.6 | Confident | 78.5 | Confident | 63 Ų | 63 | 53 Ų | 53 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.9 | -159.1 | 71.1 | 0 | 0 | 0 | 112.5 | S167 R168 L169 I174 G175 L307 | S167-L171 WeakPolarHBondContact O-CB 3.4Å; S167-L171 PolarHBondContact O-N 3.35Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.95Å; L169-L171 PolarHBondContact O-N 3.34Å; L171-I174 PolarHBondContact O-N 3.2Å; L171-G175 PolarHBondContact O-N 3.44Å; L171-L307 HydrophobicContact CD1-CD2 3.58Å; L171-L307 HydrophobicContact CD2-CD2 4.39Å; L171-L307 HydrophobicContact CG-CB 4.44Å; L171-L307 HydrophobicContact CG-CD2 3.98Å |
| 172 | S | 84.2 | Confident | 80 | Confident | 8 Ų | 8 | 49 Ų | 49 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | I66 R168 L169 V170 G175 L176 F308 S311 | I66-S172 WeakPolarHBondContact CD1-OG 3.34Å; R168-S172 PolarHBondContact O-N 2.93Å; L169-S172 WeakPolarHBondContact O-CB 3.36Å; L169-S172 PolarHBondContact O-N 3.38Å; L169-S172 VanDerWaalsContact O-N 3.1Å; V170-S172 PolarHBondContact O-N 2.92Å; S172-G175 PolarHBondContact O-N 3.39Å; S172-L176 WeakPolarHBondContact O-CB 3.47Å; S172-L176 PolarHBondContact O-N 3.48Å; S172-F308 WeakPolarHBondContact OG-CD2 3.47Å; S172-F308 WeakPolarHBondContact OG-CE2 3.18Å; S172-S311 WeakPolarHBondContact CA-OG 3.22Å; S172-S311 WeakPolarHBondContact CB-OG 3.33Å; S172-S311 PolarHBondContact OG-OG 2.85Å |
| 173 | V | 85 | Confident | 81.4 | Confident | 27 Ų | 27 | 49 Ų | 49 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | -179.1 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L12 V16 L169 V170 L176 L177 | L12-V173 HydrophobicContact CB-CG1 4.11Å; L12-V173 HydrophobicContact CD1-CG1 4.3Å; V16-V173 HydrophobicContact CG2-CG2 4.02Å; L169-V173 HydrophobicContact CD2-CG2 3.64Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 3.15Å; V170-V173 PolarHBondContact O-N 3.4Å; V173-L176 PolarHBondContact O-N 3.45Å; V173-L177 HydrophobicContact CG1-CD1 3.87Å; V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 WeakPolarHBondContact O-CD1 3.38Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 3.18Å |
| 174 | I | 86.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 34% | 0.338 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.7 | -68.2 | 167.8 | 0 | 0 | 0 | 110.9 | V170 L171 L177 M178 L307 | V170-I174 HydrophobicContact CG1-CD1 3.63Å; V170-I174 HydrophobicContact CG1-CG1 4.36Å; V170-I174 WeakPolarHBondContact O-CB 3.29Å; V170-I174 VanDerWaalsContact O-CG1 3.23Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.5Å; L171-I174 PolarHBondContact O-N 3.2Å; I174-L177 PolarHBondContact O-N 3.29Å; I174-M178 WeakPolarHBondContact O-CB 3.2Å; I174-M178 WeakPolarHBondContact O-CG 3.36Å; I174-M178 PolarHBondContact O-N 2.85Å; I174-L307 HydrophobicContact CG2-CD1 4.36Å |
| 175 | G | 87.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L171 S172 M178 L179 G304 | L171-G175 PolarHBondContact O-N 3.44Å; S172-G175 PolarHBondContact O-N 3.39Å; G175-M178 PolarHBondContact O-N 3.48Å; G175-L179 WeakPolarHBondContact O-CG 3.5Å; G175-L179 PolarHBondContact O-N 3.16Å; G175-G304 WeakPolarHBondContact CA-O 3.43Å; G175-G304 WeakPolarHBondContact O-CA 3.37Å |
| 176 | L | 86.4 | Confident | 84 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.3 | -172.2 | 69.7 | 0 | 0 | 0 | 112 | S172 V173 M178 L179 I180 F308 | S172-L176 WeakPolarHBondContact O-CB 3.47Å; S172-L176 PolarHBondContact O-N 3.48Å; V173-L176 PolarHBondContact O-N 3.45Å; L176-M178 VanDerWaalsContact C-N 3.35Å; L176-M178 PolarHBondContact O-N 3.37Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 2.94Å; L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.25Å; L176-F308 HydrophobicContact CB-CD2 4.35Å; L176-F308 HydrophobicContact CB-CE2 4.49Å; L176-F308 HydrophobicContact CD1-CE2 4.34Å |
| 177 | L | 86.7 | Confident | 84.3 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 176 | -79.8 | 165.5 | 0 | 0 | 0 | 112 | F5 F9 L12 V173 I174 L179 I180 C181 | F5-L177 HydrophobicContact CE2-CD2 4.31Å; F9-L177 HydrophobicContact CD2-CD1 3.59Å; F9-L177 HydrophobicContact CE2-CD1 3.97Å; L12-L177 HydrophobicContact CD1-CD1 4.08Å; L12-L177 HydrophobicContact CD1-CD2 3.73Å; L12-L177 HydrophobicContact CD1-CG 4.02Å; V173-L177 HydrophobicContact CG1-CD1 3.87Å; V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 WeakPolarHBondContact O-CD1 3.38Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 3.18Å; I174-L177 PolarHBondContact O-N 3.29Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.49Å; L177-I180 PolarHBondContact O-N 2.99Å; L177-C181 VanDerWaalsContact O-CB 3.27Å; L177-C181 WeakPolarHBondContact O-CB 3.26Å; L177-C181 PolarHBondContact O-N 3.31Å |
| 178 | M | 87.2 | Confident | 84.7 | Confident | 41 Ų | 41 | 41 Ų | 41 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -35.8 | 175.6 | -77.5 | -134.6 | -76.4 | 0 | 0 | 112.5 | I174 G175 L176 S182 F300 V303 L307 | I174-M178 WeakPolarHBondContact O-CB 3.2Å; I174-M178 WeakPolarHBondContact O-CG 3.36Å; I174-M178 PolarHBondContact O-N 2.85Å; G175-M178 PolarHBondContact O-N 3.48Å; L176-M178 VanDerWaalsContact C-N 3.35Å; L176-M178 PolarHBondContact O-N 3.37Å; M178-S182 WeakPolarHBondContact O-CA 3.36Å; M178-S182 WeakPolarHBondContact O-CB 3.42Å; M178-S182 PolarHBondContact O-N 2.91Å; M178-F300 HydrophobicContact SD-CD1 3.82Å; M178-F300 HydrophobicContact SD-CE1 4.2Å; M178-V303 HydrophobicContact CE-CB 4.04Å; M178-V303 HydrophobicContact CE-CG1 3.45Å; M178-V303 VanDerWaalsContact CE-CG1 3.45Å; M178-L307 HydrophobicContact CE-CD1 3.47Å; M178-L307 VanDerWaalsContact CE-CD1 3.47Å |
| 179 | L | 86.5 | Confident | 85 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -54.3 | 173.7 | -73.5 | 166 | 0 | 0 | 0 | 111.1 | G175 L176 L177 C181 S182 R301 S305 V357 F361 | G175-L179 WeakPolarHBondContact O-CG 3.5Å; G175-L179 PolarHBondContact O-N 3.16Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 2.94Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.49Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.8Å; L179-S182 WeakPolarHBondContact O-CB 3.38Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 2.82Å; L179-R301 HydrophobicContact CD2-CB 4.28Å; L179-R301 HydrophobicContact CD2-CG 4.44Å; L179-R301 WeakPolarHBondContact CD2-O 3.41Å; L179-S305 WeakPolarHBondContact CD2-OG 3.41Å; L179-V357 HydrophobicContact CD1-CG1 3.96Å; L179-F361 VanDerWaalsContact C-CZ 3.43Å; L179-F361 HydrophobicContact CB-CD2 4.43Å; L179-F361 HydrophobicContact CB-CE2 4.26Å; L179-F361 HydrophobicContact CB-CZ 4.4Å; L179-F361 WeakPolarHBondContact O-CE1 3.13Å; L179-F361 WeakPolarHBondContact O-CZ 3.24Å |
| 180 | I | 86 | Confident | 85.2 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -44.8 | -179 | -65.9 | 169 | 0 | 0 | 0 | 111 | L176 L177 F361 | L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.25Å; L177-I180 PolarHBondContact O-N 2.99Å; I180-F361 HydrophobicContact CG1-CE2 4.21Å |
| 181 | C | 85.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.2 | -175.5 | -66 | 0 | 0 | 0 | 0 | 114.3 | F5 L177 L179 E183 T184 L185 | F5-C181 HydrophobicContact CD2-CB 4.47Å; F5-C181 WeakPolarHBondContact CD2-SG 3.47Å; F5-C181 HydrophobicContact CE2-CB 4.04Å; F5-C181 WeakPolarHBondContact CE2-SG 3Å; L177-C181 VanDerWaalsContact O-CB 3.27Å; L177-C181 WeakPolarHBondContact O-CB 3.26Å; L177-C181 PolarHBondContact O-N 3.31Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.8Å; C181-E183 PolarHBondContact O-N 3.49Å; C181-E183 VanDerWaalsContact O-N 3.15Å; C181-T184 WeakPolarHBondContact CA-OG1 3.23Å; C181-T184 WeakPolarHBondContact CB-OG1 3.29Å; C181-T184 PolarHBondContact O-N 2.95Å; C181-T184 PolarHBondContact O-OG1 3.49Å; C181-L185 HydrophobicContact CB-CD1 3.6Å; C181-L185 HydrophobicContact CB-CG 4.21Å; C181-L185 VanDerWaalsContact O-CB 3.29Å; C181-L185 WeakPolarHBondContact O-CB 3.29Å; C181-L185 WeakPolarHBondContact O-CD1 3.27Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.41Å |
| 182 | S | 85.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.2 | -42.2 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | M178 L179 A186 R301 | M178-S182 WeakPolarHBondContact O-CA 3.36Å; M178-S182 WeakPolarHBondContact O-CB 3.42Å; M178-S182 PolarHBondContact O-N 2.91Å; L179-S182 WeakPolarHBondContact O-CB 3.38Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 2.82Å; S182-A186 VanDerWaalsContact O-CB 3.23Å; S182-A186 WeakPolarHBondContact O-CB 3.29Å; S182-A186 PolarHBondContact O-N 3.27Å; S182-A186 VanDerWaalsContact O-N 3.09Å; S182-R301 PolarHBondContact OG-NE 3.05Å |
| 183 | E | 84.7 | Confident | 85.5 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75.8 | -34.8 | 178.8 | -66.5 | -176.1 | -167.5 | 0 | 0 | 113.6 | C181 N187 T297 R301 Q365 | C181-E183 PolarHBondContact O-N 3.49Å; C181-E183 VanDerWaalsContact O-N 3.15Å; E183-N187 PolarHBondContact O-N 3.39Å; E183-N187 PolarHBondContact O-ND2 2.82Å; E183-T297 HydrophobicContact CG-CG2 4.08Å; E183-R301 IonicContact OE1-NH2 2.81Å; E183-R301 PolarHBondContact OE1-NH2 3.19Å; E183-Q365 VanDerWaalsContact OE1-CD 3.22Å; E183-Q365 PolarHBondContact OE1-NE2 3.22Å; E183-Q365 PolarHBondContact OE1-OE1 2.77Å; E183-Q365 VanDerWaalsContact OE1-OE1 3.12Å |
| 184 | T | 84.4 | Confident | 85.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.9 | -40.6 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | C181 N187 S188 | C181-T184 WeakPolarHBondContact CA-OG1 3.23Å; C181-T184 WeakPolarHBondContact CB-OG1 3.29Å; C181-T184 PolarHBondContact O-N 2.95Å; C181-T184 PolarHBondContact O-OG1 3.49Å; T184-N187 PolarHBondContact O-N 2.83Å; T184-S188 PolarHBondContact O-N 3.25Å; T184-S188 VanDerWaalsContact O-N 3.1Å |
| 185 | L | 83.9 | Confident | 85.5 | Confident | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 173.2 | -78.4 | 150.9 | 0 | 0 | 0 | 111.3 | C181 N187 S188 F191 F300 | C181-L185 HydrophobicContact CB-CD1 3.6Å; C181-L185 HydrophobicContact CB-CG 4.21Å; C181-L185 VanDerWaalsContact O-CB 3.29Å; C181-L185 WeakPolarHBondContact O-CB 3.29Å; C181-L185 WeakPolarHBondContact O-CD1 3.27Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.41Å; L185-N187 PolarHBondContact O-N 3.04Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 2.8Å; L185-S188 VanDerWaalsContact O-N 3.14Å; L185-F191 HydrophobicContact CD2-CD2 4.22Å; L185-F300 HydrophobicContact CB-CD2 4.08Å; L185-F300 HydrophobicContact CB-CE1 4.44Å; L185-F300 HydrophobicContact CB-CE2 3.59Å; L185-F300 HydrophobicContact CB-CZ 3.74Å; L185-F300 HydrophobicContact CD1-CE1 4.35Å; L185-F300 HydrophobicContact CD1-CZ 4.45Å; L185-F300 HydrophobicContact CD2-CZ 4.2Å; L185-F300 HydrophobicContact CG-CZ 4.36Å |
| 186 | A | 84.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S182 Y192 T296 T297 | S182-A186 VanDerWaalsContact O-CB 3.23Å; S182-A186 WeakPolarHBondContact O-CB 3.29Å; S182-A186 PolarHBondContact O-N 3.27Å; S182-A186 VanDerWaalsContact O-N 3.09Å; A186-Y192 WeakPolarHBondContact O-CE2 2.97Å; A186-Y192 PolarHBondContact O-OH 2.98Å; A186-T296 WeakPolarHBondContact CB-OG1 3.27Å; A186-T297 WeakPolarHBondContact CB-OG1 3.27Å |
| 187 | N | 84.2 | Confident | 85.3 | Confident | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -93.1 | -12 | 175.6 | -75.3 | -51.5 | 0 | 0 | 0 | 113.7 | E183 T184 L185 I189 K293 | E183-N187 PolarHBondContact O-N 3.39Å; E183-N187 PolarHBondContact O-ND2 2.82Å; T184-N187 PolarHBondContact O-N 2.83Å; L185-N187 PolarHBondContact O-N 3.04Å; N187-I189 PolarHBondContact O-N 3.18Å; N187-K293 PolarHBondContact OD1-NZ 3.49Å |
| 188 | S | 85.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | trans | -76.7 | 116.9 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | T184 L185 L190 F191 Y192 | T184-S188 PolarHBondContact O-N 3.25Å; T184-S188 VanDerWaalsContact O-N 3.1Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 2.8Å; L185-S188 VanDerWaalsContact O-N 3.14Å; S188-L190 PolarHBondContact O-N 2.86Å; S188-F191 WeakPolarHBondContact O-CB 3.35Å; S188-F191 PolarHBondContact O-N 3.37Å; S188-F191 VanDerWaalsContact O-N 3.14Å; S188-Y192 VanDerWaalsContact O-CD2 3.25Å; S188-Y192 WeakPolarHBondContact O-CD2 3.29Å | ||
| 189 | I | 84.7 | Confident | 85.2 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 173.9 | -66 | 166.9 | 0 | 0 | 0 | 110.4 | N187 F191 Y192 Y193 D283 | N187-I189 PolarHBondContact O-N 3.18Å; I189-F191 PolarHBondContact O-N 3.26Å; I189-Y192 PolarHBondContact O-N 2.82Å; I189-Y192 VanDerWaalsContact O-N 3.07Å; I189-Y193 HydrophobicContact CG2-CD2 3.73Å; I189-Y193 HydrophobicContact CG2-CE2 3.52Å; I189-Y193 WeakPolarHBondContact O-CD2 3.33Å; I189-Y193 PolarHBondContact O-N 2.84Å; I189-D283 WeakPolarHBondContact CG2-OD1 3.3Å |
| 190 | L | 84.5 | Confident | 85.3 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 59% | 0.586 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.2 | -35 | 177.1 | -70.5 | 175.5 | 0 | 0 | 0 | 112.4 | S188 Y192 Y193 I194 | S188-L190 PolarHBondContact O-N 2.86Å; L190-Y192 VanDerWaalsContact C-N 3.34Å; L190-Y192 PolarHBondContact O-N 2.91Å; L190-Y193 PolarHBondContact O-N 3.49Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 3.41Å |
| 191 | F | 85.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 50 Ų | 50 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177 | 172.7 | -103.8 | 0 | 0 | 0 | 111.4 | L185 S188 I189 Y193 I194 S195 F300 | L185-F191 HydrophobicContact CD2-CD2 4.22Å; S188-F191 WeakPolarHBondContact O-CB 3.35Å; S188-F191 PolarHBondContact O-N 3.37Å; S188-F191 VanDerWaalsContact O-N 3.14Å; I189-F191 PolarHBondContact O-N 3.26Å; F191-Y193 PolarHBondContact O-N 3.18Å; F191-I194 PolarHBondContact O-N 3.11Å; F191-S195 VanDerWaalsContact O-CB 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.39Å; F191-S195 PolarHBondContact O-N 3.09Å; F191-S195 PolarHBondContact O-OG 3.45Å; F191-F300 HydrophobicContact CD1-CE2 4.05Å; F191-F300 AromaticContact CD1-CZ 3.92Å; F191-F300 HydrophobicContact CD1-CZ 3.92Å; F191-F300 AromaticContact CD2-CZ 3.8Å; F191-F300 HydrophobicContact CD2-CZ 3.8Å; F191-F300 AromaticContact CE1-CE2 3.65Å; F191-F300 HydrophobicContact CE1-CE2 3.65Å; F191-F300 AromaticContact CE1-CZ 3.43Å; F191-F300 HydrophobicContact CE1-CZ 3.43Å; F191-F300 VanDerWaalsContact CE1-CZ 3.43Å; F191-F300 AromaticContact CE2-CE1 3.95Å; F191-F300 HydrophobicContact CE2-CE1 3.95Å; F191-F300 HydrophobicContact CE2-CE2 4.34Å; F191-F300 AromaticContact CE2-CZ 3.32Å; F191-F300 HydrophobicContact CE2-CZ 3.32Å; F191-F300 HydrophobicContact CG-CZ 4.1Å; F191-F300 AromaticContact CZ-CE1 3.91Å; F191-F300 HydrophobicContact CZ-CE1 3.91Å; F191-F300 AromaticContact CZ-CE2 3.83Å; F191-F300 HydrophobicContact CZ-CE2 3.83Å; F191-F300 AromaticContact CZ-CZ 3.12Å; F191-F300 HydrophobicContact CZ-CZ 3.12Å |
| 192 | Y | 84.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.7 | -67.3 | -82.3 | 0 | 0 | 0 | 111.9 | A186 S188 I189 L190 S195 G196 V286 T296 | A186-Y192 WeakPolarHBondContact O-CE2 2.97Å; A186-Y192 PolarHBondContact O-OH 2.98Å; S188-Y192 VanDerWaalsContact O-CD2 3.25Å; S188-Y192 WeakPolarHBondContact O-CD2 3.29Å; I189-Y192 PolarHBondContact O-N 2.82Å; I189-Y192 VanDerWaalsContact O-N 3.07Å; L190-Y192 VanDerWaalsContact C-N 3.34Å; L190-Y192 PolarHBondContact O-N 2.91Å; Y192-S195 WeakPolarHBondContact CA-OG 3.34Å; Y192-S195 PolarHBondContact O-N 3.06Å; Y192-S195 PolarHBondContact O-OG 3.5Å; Y192-G196 PolarHBondContact O-N 3.15Å; Y192-V286 HydrophobicContact CD1-CG2 4.46Å; Y192-V286 HydrophobicContact CD2-CG2 3.55Å; Y192-V286 HydrophobicContact CE1-CG2 4.41Å; Y192-V286 HydrophobicContact CE2-CG2 3.51Å; Y192-V286 HydrophobicContact CG-CG2 4.06Å; Y192-T296 HydrophobicContact CE1-CG2 4.01Å; Y192-T296 PolarHBondContact OH-OG1 3.48Å; Y192-T296 VanDerWaalsContact OH-OG1 3.14Å |
| 193 | Y | 85 | Confident | 85.3 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 14% | 0.137 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -53.2 | 172.6 | -82.4 | -80.9 | 0 | 0 | 0 | 111.3 | I189 L190 F191 S195 G196 M197 L276 P282 D283 | I189-Y193 HydrophobicContact CG2-CD2 3.73Å; I189-Y193 HydrophobicContact CG2-CE2 3.52Å; I189-Y193 WeakPolarHBondContact O-CD2 3.33Å; I189-Y193 PolarHBondContact O-N 2.84Å; L190-Y193 PolarHBondContact O-N 3.49Å; F191-Y193 PolarHBondContact O-N 3.18Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 3.4Å; Y193-G196 PolarHBondContact O-N 2.9Å; Y193-M197 WeakPolarHBondContact O-CB 3.25Å; Y193-M197 WeakPolarHBondContact O-CG 3.48Å; Y193-M197 PolarHBondContact O-N 3.38Å; Y193-L276 HydrophobicContact CD1-CB 4.21Å; Y193-L276 HydrophobicContact CE1-CB 4.14Å; Y193-P282 HydrophobicContact CD1-CG 3.84Å; Y193-P282 HydrophobicContact CD2-CB 3.94Å; Y193-P282 HydrophobicContact CD2-CG 3.98Å; Y193-P282 HydrophobicContact CE1-CB 4.5Å; Y193-P282 HydrophobicContact CE1-CG 3.72Å; Y193-P282 HydrophobicContact CE2-CB 3.73Å; Y193-P282 HydrophobicContact CE2-CG 3.85Å; Y193-P282 HydrophobicContact CG-CB 4.4Å; Y193-P282 HydrophobicContact CG-CG 3.96Å; Y193-D283 PolarHBondContact OH-OD2 2.87Å |
| 194 | I | 86 | Confident | 85.5 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 60% | 0.595 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.1 | -40 | -179.1 | -65.7 | 165.8 | 0 | 0 | 0 | 111.6 | L190 F191 M197 S198 | L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 3.41Å; F191-I194 PolarHBondContact O-N 3.11Å; I194-M197 WeakPolarHBondContact O-CB 3.14Å; I194-M197 PolarHBondContact O-N 2.79Å; I194-S198 WeakPolarHBondContact O-CB 3.17Å; I194-S198 PolarHBondContact O-N 3.23Å; I194-S198 PolarHBondContact O-OG 2.84Å |
| 195 | S | 85.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68 | -39.8 | 177.7 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | F191 Y192 Y193 S198 I199 | F191-S195 VanDerWaalsContact O-CB 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.39Å; F191-S195 PolarHBondContact O-N 3.09Å; F191-S195 PolarHBondContact O-OG 3.45Å; Y192-S195 WeakPolarHBondContact CA-OG 3.34Å; Y192-S195 PolarHBondContact O-N 3.06Å; Y192-S195 PolarHBondContact O-OG 3.5Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 3.4Å; S195-S198 PolarHBondContact O-N 3.23Å; S195-S198 PolarHBondContact O-OG 2.93Å; S195-I199 WeakPolarHBondContact O-CD1 3.39Å; S195-I199 VanDerWaalsContact O-CG1 3.27Å; S195-I199 WeakPolarHBondContact O-CG1 3.17Å; S195-I199 PolarHBondContact O-N 2.86Å; S195-I199 VanDerWaalsContact O-N 3.08Å |
| 196 | G | 85.1 | Confident | 85.4 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y192 Y193 S198 I199 V200 | Y192-G196 PolarHBondContact O-N 3.15Å; Y193-G196 PolarHBondContact O-N 2.9Å; G196-S198 PolarHBondContact O-N 3.19Å; G196-I199 PolarHBondContact O-N 3.2Å; G196-V200 WeakPolarHBondContact O-CG2 3.21Å; G196-V200 PolarHBondContact O-N 2.89Å |
| 197 | M | 86 | Confident | 85.5 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 175.6 | -67.9 | -77.6 | -59.1 | 0 | 0 | 112.2 | Y193 I194 V200 L201 A269 S272 L273 L276 | Y193-M197 WeakPolarHBondContact O-CB 3.25Å; Y193-M197 WeakPolarHBondContact O-CG 3.48Å; Y193-M197 PolarHBondContact O-N 3.38Å; I194-M197 WeakPolarHBondContact O-CB 3.14Å; I194-M197 PolarHBondContact O-N 2.79Å; M197-V200 PolarHBondContact O-N 2.89Å; M197-L201 WeakPolarHBondContact O-CB 3.29Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.32Å; M197-L201 PolarHBondContact O-N 3.47Å; M197-A269 VanDerWaalsContact CE-C 3.5Å; M197-A269 VanDerWaalsContact CE-CA 3.44Å; M197-A269 HydrophobicContact CE-CB 3.62Å; M197-A269 WeakPolarHBondContact CE-O 3.48Å; M197-S272 WeakPolarHBondContact CE-OG 3.46Å; M197-S272 VanDerWaalsContact SD-C 3.55Å; M197-S272 PolarHBondContact SD-OG 3.07Å; M197-L273 HydrophobicContact CE-CB 4.09Å; M197-L273 VanDerWaalsContact SD-CA 3.53Å; M197-L273 HydrophobicContact SD-CB 3.78Å; M197-L273 PolarHBondContact SD-N 3.25Å; M197-L276 HydrophobicContact CG-CD1 3.84Å; M197-L276 HydrophobicContact SD-CD1 3.83Å |
| 198 | S | 85.8 | Confident | 85.6 | Confident | 51 Ų | 51 | 59 Ų | 59 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.9 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | I194 S195 G196 L201 L202 | I194-S198 WeakPolarHBondContact O-CB 3.17Å; I194-S198 PolarHBondContact O-N 3.23Å; I194-S198 PolarHBondContact O-OG 2.84Å; S195-S198 PolarHBondContact O-N 3.23Å; S195-S198 PolarHBondContact O-OG 2.93Å; G196-S198 PolarHBondContact O-N 3.19Å; S198-L201 PolarHBondContact O-N 3.34Å; S198-L202 VanDerWaalsContact O-CB 3.29Å; S198-L202 WeakPolarHBondContact O-CB 3.43Å; S198-L202 VanDerWaalsContact O-CG 3.23Å; S198-L202 WeakPolarHBondContact O-CG 3.14Å; S198-L202 PolarHBondContact O-N 2.93Å |
| 199 | I | 85.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 57% | 0.574 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.6 | -45.4 | 174.7 | -67.6 | 165.4 | 0 | 0 | 0 | 110.7 | S195 G196 L202 S203 | S195-I199 WeakPolarHBondContact O-CD1 3.39Å; S195-I199 VanDerWaalsContact O-CG1 3.27Å; S195-I199 WeakPolarHBondContact O-CG1 3.17Å; S195-I199 PolarHBondContact O-N 2.86Å; S195-I199 VanDerWaalsContact O-N 3.08Å; G196-I199 PolarHBondContact O-N 3.2Å; I199-L202 PolarHBondContact O-N 3.39Å; I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.44Å; I199-S203 PolarHBondContact O-N 3.42Å |
| 200 | V | 89.2 | Confident | 85.1 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 38% | 0.376 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | G196 M197 S203 S204 V268 | G196-V200 WeakPolarHBondContact O-CG2 3.21Å; G196-V200 PolarHBondContact O-N 2.89Å; M197-V200 PolarHBondContact O-N 2.89Å; V200-S203 PolarHBondContact O-N 3.34Å; V200-S204 VanDerWaalsContact O-CB 3.25Å; V200-S204 WeakPolarHBondContact O-CB 3.38Å; V200-S204 PolarHBondContact O-N 2.87Å; V200-V268 HydrophobicContact CG1-CG1 4.47Å |
| 201 | L | 87.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.7 | -76.3 | 169.4 | 0 | 0 | 0 | 112 | M197 S198 S204 I205 V265 V268 A269 | M197-L201 WeakPolarHBondContact O-CB 3.29Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.32Å; M197-L201 PolarHBondContact O-N 3.47Å; S198-L201 PolarHBondContact O-N 3.34Å; L201-S204 PolarHBondContact O-N 3.44Å; L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 3.18Å; L201-I205 PolarHBondContact O-N 2.86Å; L201-V265 HydrophobicContact CD1-CG1 4.42Å; L201-V265 HydrophobicContact CD2-CG1 4.11Å; L201-V268 HydrophobicContact CD2-CB 3.85Å; L201-V268 HydrophobicContact CD2-CG1 3.68Å; L201-A269 HydrophobicContact CD1-CB 4.31Å; L201-A269 HydrophobicContact CD2-CB 4.34Å |
| 202 | L | 82.8 | Confident | 84.7 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.9 | -76.3 | 169.6 | 0 | 0 | 0 | 111.3 | S198 I199 S204 I205 M206 | S198-L202 VanDerWaalsContact O-CB 3.29Å; S198-L202 WeakPolarHBondContact O-CB 3.43Å; S198-L202 VanDerWaalsContact O-CG 3.23Å; S198-L202 WeakPolarHBondContact O-CG 3.14Å; S198-L202 PolarHBondContact O-N 2.93Å; I199-L202 PolarHBondContact O-N 3.39Å; L202-S204 VanDerWaalsContact C-N 3.29Å; L202-S204 PolarHBondContact O-N 3.46Å; L202-I205 PolarHBondContact O-N 2.91Å; L202-M206 WeakPolarHBondContact O-CB 3.41Å; L202-M206 WeakPolarHBondContact O-CG 3.38Å; L202-M206 PolarHBondContact O-N 3.08Å |
| 203 | S | 85.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | I199 V200 M206 L207 | I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.44Å; I199-S203 PolarHBondContact O-N 3.42Å; V200-S203 PolarHBondContact O-N 3.34Å; S203-M206 PolarHBondContact O-N 2.87Å; S203-L207 WeakPolarHBondContact O-CB 3.18Å; S203-L207 PolarHBondContact O-N 2.69Å |
| 204 | S | 88.9 | Confident | 83.6 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | -180 | -159 | 0 | 0 | 0 | 0 | 111.7 | V200 L201 L202 L207 V208 Y264 | V200-S204 VanDerWaalsContact O-CB 3.25Å; V200-S204 WeakPolarHBondContact O-CB 3.38Å; V200-S204 PolarHBondContact O-N 2.87Å; L201-S204 PolarHBondContact O-N 3.44Å; L202-S204 VanDerWaalsContact C-N 3.29Å; L202-S204 PolarHBondContact O-N 3.46Å; S204-L207 PolarHBondContact O-N 2.95Å; S204-V208 WeakPolarHBondContact O-CG2 3.37Å; S204-V208 PolarHBondContact O-N 2.87Å; S204-Y264 PolarHBondContact O-OH 2.82Å; S204-Y264 PolarHBondContact OG-OH 3.43Å |
| 205 | I | 84.7 | Confident | 82.9 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 26% | 0.256 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176 | -68.1 | 166.5 | 0 | 0 | 0 | 110.5 | L201 L202 L207 V208 L209 V250 Y264 V265 | L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 3.18Å; L201-I205 PolarHBondContact O-N 2.86Å; L202-I205 PolarHBondContact O-N 2.91Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.22Å; I205-V208 PolarHBondContact O-N 3.49Å; I205-L209 WeakPolarHBondContact O-CB 3.42Å; I205-L209 PolarHBondContact O-N 3.46Å; I205-V250 HydrophobicContact CG2-CG2 4.37Å; I205-Y264 HydrophobicContact CG1-CE1 4.27Å; I205-V265 HydrophobicContact CD1-CG2 4.35Å |
| 206 | M | 82.1 | Confident | 81.9 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 176.6 | -73.5 | -65.7 | 139.9 | 0 | 0 | 111.6 | L202 S203 L209 I210 L246 V250 | L202-M206 WeakPolarHBondContact O-CB 3.41Å; L202-M206 WeakPolarHBondContact O-CG 3.38Å; L202-M206 PolarHBondContact O-N 3.08Å; S203-M206 PolarHBondContact O-N 2.87Å; M206-L209 PolarHBondContact O-N 3.36Å; M206-I210 WeakPolarHBondContact O-CD1 3.34Å; M206-I210 WeakPolarHBondContact O-CG1 3.42Å; M206-I210 PolarHBondContact O-N 3.11Å; M206-L246 HydrophobicContact CE-CB 4.47Å; M206-L246 HydrophobicContact CE-CD1 4.03Å; M206-L246 HydrophobicContact CE-CD2 4.15Å; M206-L246 HydrophobicContact CE-CG 4.48Å; M206-L246 HydrophobicContact SD-CD1 3.75Å; M206-L246 HydrophobicContact SD-CD2 3.72Å; M206-L246 HydrophobicContact SD-CG 4.34Å; M206-V250 HydrophobicContact CE-CG2 4.4Å |
| 207 | L | 86.8 | Confident | 80.2 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 55% | 0.55 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 175.7 | -171.4 | 159.4 | 0 | 0 | 0 | 111.3 | S203 S204 I205 L209 I210 V211 | S203-L207 WeakPolarHBondContact O-CB 3.18Å; S203-L207 PolarHBondContact O-N 2.69Å; S204-L207 PolarHBondContact O-N 2.95Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.22Å; L207-L209 VanDerWaalsContact C-N 3.28Å; L207-L209 PolarHBondContact O-N 3.32Å; L207-I210 PolarHBondContact O-N 2.9Å; L207-V211 HydrophobicContact CD2-CG2 3.95Å; L207-V211 WeakPolarHBondContact O-CG2 3.27Å; L207-V211 PolarHBondContact O-N 3.09Å |
| 208 | V | 85.2 | Confident | 78.8 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | S204 I205 V211 L212 Y264 | S204-V208 WeakPolarHBondContact O-CG2 3.37Å; S204-V208 PolarHBondContact O-N 2.87Å; I205-V208 PolarHBondContact O-N 3.49Å; V208-V211 PolarHBondContact O-N 3Å; V208-L212 WeakPolarHBondContact O-CB 3.49Å; V208-L212 PolarHBondContact O-N 3.48Å; V208-Y264 HydrophobicContact CG2-CE1 4.46Å; V208-Y264 HydrophobicContact CG2-CE2 4.28Å; V208-Y264 WeakPolarHBondContact CG2-OH 3.42Å |
| 209 | L | 81.1 | Confident | 77.3 | Confident | 13 Ų | 13 | 94.6 Ų | 94.6 | 7% | 0.068 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.6 | -170.4 | 71.4 | 0 | 0 | 0 | 111.7 | I205 M206 L207 V211 L212 I213 L246 A249 | I205-L209 WeakPolarHBondContact O-CB 3.42Å; I205-L209 PolarHBondContact O-N 3.46Å; M206-L209 PolarHBondContact O-N 3.36Å; L207-L209 VanDerWaalsContact C-N 3.28Å; L207-L209 PolarHBondContact O-N 3.32Å; L209-V211 VanDerWaalsContact C-N 3.33Å; L209-V211 PolarHBondContact O-N 3.4Å; L209-L212 PolarHBondContact O-N 3.35Å; L209-I213 HydrophobicContact CG-CD1 4.01Å; L209-I213 WeakPolarHBondContact O-CB 2.96Å; L209-I213 WeakPolarHBondContact O-CD1 3.19Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 3.25Å; L209-L246 HydrophobicContact CD2-CD2 3.3Å; L209-A249 HydrophobicContact CD1-CB 4.03Å; L209-A249 HydrophobicContact CD2-CB 4.3Å |
| 210 | I | 79.5 | Confident | 75.8 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 57% | 0.569 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 175.2 | -69.5 | 163.2 | 0 | 0 | 0 | 110.6 | M206 L207 I213 K214 | M206-I210 WeakPolarHBondContact O-CD1 3.34Å; M206-I210 WeakPolarHBondContact O-CG1 3.42Å; M206-I210 PolarHBondContact O-N 3.11Å; L207-I210 PolarHBondContact O-N 2.9Å; I210-I213 PolarHBondContact O-N 3.39Å; I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 3.38Å |
| 211 | V | 83.4 | Confident | 74.1 | Confident | 71 Ų | 71 | 99.4 Ų | 99.4 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L207 V208 L209 I213 K214 M215 | L207-V211 HydrophobicContact CD2-CG2 3.95Å; L207-V211 WeakPolarHBondContact O-CG2 3.27Å; L207-V211 PolarHBondContact O-N 3.09Å; V208-V211 PolarHBondContact O-N 3Å; L209-V211 VanDerWaalsContact C-N 3.33Å; L209-V211 PolarHBondContact O-N 3.4Å; V211-I213 PolarHBondContact O-N 2.64Å; V211-K214 CarbonylContact O-C 3.48Å; V211-K214 WeakPolarHBondContact O-CB 3.28Å; V211-K214 PolarHBondContact O-N 2.84Å; V211-K214 VanDerWaalsContact O-N 3.1Å; V211-M215 HydrophobicContact CG1-CG 4.28Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 3.2Å |
| 212 | L | 77.6 | Confident | 72.6 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 179.5 | -170.2 | 70.5 | 0 | 0 | 0 | 111.8 | V208 L209 K214 M215 M216 | V208-L212 WeakPolarHBondContact O-CB 3.49Å; V208-L212 PolarHBondContact O-N 3.48Å; L209-L212 PolarHBondContact O-N 3.35Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 3.34Å; L212-M215 PolarHBondContact O-N 2.89Å; L212-M216 PolarHBondContact O-N 3.42Å; L212-M216 VanDerWaalsContact O-N 3.15Å |
| 213 | I | 71.6 | Confident | 71.3 | Confident | 63 Ų | 63 | 98.3 Ų | 98.3 | 32% | 0.323 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.2 | -68.5 | 164.8 | 0 | 0 | 0 | 110.4 | L209 I210 V211 Y245 | L209-I213 HydrophobicContact CG-CD1 4.01Å; L209-I213 WeakPolarHBondContact O-CB 2.96Å; L209-I213 WeakPolarHBondContact O-CD1 3.19Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 3.25Å; I210-I213 PolarHBondContact O-N 3.39Å; V211-I213 PolarHBondContact O-N 2.64Å; I213-Y245 HydrophobicContact CD1-CE1 4.19Å |
| 214 | K | 74 | Confident | 70.1 | Confident | 185 Ų | 185 | 99.1 Ų | 99.1 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.7 | -30.5 | 178 | -171.7 | 174.2 | 177.9 | 172.9 | 0 | 113.2 | I210 V211 L212 | I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 3.38Å; V211-K214 CarbonylContact O-C 3.48Å; V211-K214 WeakPolarHBondContact O-CB 3.28Å; V211-K214 PolarHBondContact O-N 2.84Å; V211-K214 VanDerWaalsContact O-N 3.1Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 3.34Å |
| 215 | M | 72.1 | Confident | 68.7 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 74% | 0.744 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -81.8 | -21 | 179.2 | -66.5 | -151.8 | 90.2 | 0 | 0 | 113.7 | V211 L212 P217 | V211-M215 HydrophobicContact CG1-CG 4.28Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 3.2Å; L212-M215 PolarHBondContact O-N 2.89Å; M215-P217 WeakPolarHBondContact O-CD 3.26Å |
| 216 | M | 65.4 | Low | 67.6 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -65.3 | 123.5 | 171.4 | -80.4 | -166.3 | -86.9 | 0 | 0 | 109.7 | L212 M218 | L212-M216 PolarHBondContact O-N 3.42Å; L212-M216 VanDerWaalsContact O-N 3.15Å; M216-M218 PolarHBondContact O-N 3.41Å |
| 217 | P | 49.5 | Very low | 66.5 | Low | 126 Ų | 126 | 107.1 Ų | 107.1 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | -76.5 | 53.4 | -176.6 | 32.9 | -36 | 0 | 0 | 0 | 111.8 | M215 R219 | M215-P217 WeakPolarHBondContact O-CD 3.26Å; P217-R219 PolarHBondContact O-N 2.9Å; P217-R219 VanDerWaalsContact O-N 3.07Å | ||
| 218 | M | 55.1 | Low | 65.4 | Low | 139 Ų | 139 | 105 Ų | 105 | 69% | 0.685 | 55% | 0.55 | S | S | * | * | trans | -82.7 | 70.1 | 165.3 | -83.5 | -97.6 | -173.2 | 0 | 0 | 108.4 | M216 R220 A221 G222 | M216-M218 PolarHBondContact O-N 3.41Å; M218-R220 PolarHBondContact O-N 3.4Å; M218-A221 HydrophobicContact CB-CB 4.35Å; M218-A221 PolarHBondContact O-N 3.26Å; M218-A221 HydrophobicContact SD-CB 4.19Å; M218-G222 PolarHBondContact O-N 2.9Å | ||
| 219 | R | 54.1 | Low | 64.3 | Low | 244 Ų | 244 | 105.6 Ų | 105.6 | 92% | 0.921 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -8.4 | -173.1 | -116.4 | -178.9 | -178.4 | 174 | 0.4 | 116 | P217 | P217-R219 PolarHBondContact O-N 2.9Å; P217-R219 VanDerWaalsContact O-N 3.07Å |
| 220 | R | 55.8 | Low | 63.3 | Low | 222 Ų | 222 | 113.3 Ų | 113.3 | 84% | 0.838 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -26.5 | 178.4 | -71.3 | -177.2 | -175.9 | 167.6 | 1.3 | 114.8 | M218 V224 | M218-R220 PolarHBondContact O-N 3.4Å; R220-V224 WeakPolarHBondContact O-CG2 3.44Å |
| 221 | A | 53.6 | Low | 62.3 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 44% | 0.438 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -85.5 | -32.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M218 A223 V224 L225 | M218-A221 HydrophobicContact CB-CB 4.35Å; M218-A221 PolarHBondContact O-N 3.26Å; M218-A221 HydrophobicContact SD-CB 4.19Å; A221-A223 PolarHBondContact O-N 2.85Å; A221-V224 PolarHBondContact O-N 3.37Å; A221-L225 WeakPolarHBondContact O-CB 3.04Å; A221-L225 PolarHBondContact O-N 2.83Å |
| 222 | G | 55.6 | Low | 61 | Low | 39 Ų | 39 | 116.3 Ų | 116.3 | 40% | 0.402 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -39.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M218 Q226 | M218-G222 PolarHBondContact O-N 2.9Å; G222-Q226 VanDerWaalsContact O-CB 3.27Å; G222-Q226 WeakPolarHBondContact O-CB 3.42Å; G222-Q226 PolarHBondContact O-N 2.98Å |
| 223 | A | 56.1 | Low | 60.1 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -36.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A221 S227 | A221-A223 PolarHBondContact O-N 2.85Å; A223-S227 VanDerWaalsContact O-CB 3.3Å; A223-S227 WeakPolarHBondContact O-CB 3.43Å; A223-S227 PolarHBondContact O-N 3.45Å |
| 224 | V | 58.9 | Low | 59.3 | Low | 93 Ų | 93 | 117.7 Ų | 117.7 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.6 | -43 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | R220 A221 Q226 S227 V228 | R220-V224 WeakPolarHBondContact O-CG2 3.44Å; A221-V224 PolarHBondContact O-N 3.37Å; V224-Q226 PolarHBondContact O-N 2.94Å; V224-S227 PolarHBondContact O-N 3.3Å; V224-V228 HydrophobicContact CG1-CG2 4.29Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 WeakPolarHBondContact O-CG2 3.27Å; V224-V228 PolarHBondContact O-N 3.35Å |
| 225 | L | 59.4 | Low | 58.7 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.4 | -41.3 | 178.2 | -151.7 | 98.7 | 0 | 0 | 0 | 111.7 | A221 V228 I229 | A221-L225 WeakPolarHBondContact O-CB 3.04Å; A221-L225 PolarHBondContact O-N 2.83Å; L225-V228 PolarHBondContact O-N 3.33Å; L225-I229 HydrophobicContact CD2-CD1 3.71Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CB 3.24Å; L225-I229 WeakPolarHBondContact O-CD1 3.43Å; L225-I229 WeakPolarHBondContact O-CG1 3.32Å; L225-I229 PolarHBondContact O-N 3.47Å |
| 226 | Q | 62.5 | Low | 58.2 | Low | 146 Ų | 146 | 111.5 Ų | 111.5 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 176.6 | -171.2 | 174.3 | -4.5 | 0 | 0 | 111.9 | G222 V224 F230 | G222-Q226 VanDerWaalsContact O-CB 3.27Å; G222-Q226 WeakPolarHBondContact O-CB 3.42Å; G222-Q226 PolarHBondContact O-N 2.98Å; V224-Q226 PolarHBondContact O-N 2.94Å; Q226-F230 WeakPolarHBondContact O-CB 3.24Å; Q226-F230 PolarHBondContact O-N 2.62Å; Q226-F230 VanDerWaalsContact O-N 3.1Å |
| 227 | S | 60.1 | Low | 58.1 | Low | 62 Ų | 62 | 108.6 Ų | 108.6 | 43% | 0.434 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64 | -44.2 | 173.1 | -177 | 0 | 0 | 0 | 0 | 111.7 | A223 V224 F230 L231 | A223-S227 VanDerWaalsContact O-CB 3.3Å; A223-S227 WeakPolarHBondContact O-CB 3.43Å; A223-S227 PolarHBondContact O-N 3.45Å; V224-S227 PolarHBondContact O-N 3.3Å; S227-F230 PolarHBondContact O-N 3.49Å; S227-L231 VanDerWaalsContact O-CB 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.45Å; S227-L231 PolarHBondContact O-N 3.49Å |
| 228 | V | 62 | Low | 58.7 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -41 | 178.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | V224 L225 F230 F232 | V224-V228 HydrophobicContact CG1-CG2 4.29Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 WeakPolarHBondContact O-CG2 3.27Å; V224-V228 PolarHBondContact O-N 3.35Å; L225-V228 PolarHBondContact O-N 3.33Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 2.93Å; V228-F232 HydrophobicContact CG1-CD2 4.2Å; V228-F232 VanDerWaalsContact O-CB 3.31Å; V228-F232 WeakPolarHBondContact O-CB 3.41Å; V228-F232 PolarHBondContact O-N 3.02Å |
| 229 | I | 61.9 | Low | 59.2 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 41% | 0.41 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 176.8 | -68.7 | 162.8 | 0 | 0 | 0 | 111.1 | L225 S233 | L225-I229 HydrophobicContact CD2-CD1 3.71Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CB 3.24Å; L225-I229 WeakPolarHBondContact O-CD1 3.43Å; L225-I229 WeakPolarHBondContact O-CG1 3.32Å; L225-I229 PolarHBondContact O-N 3.47Å; I229-S233 PolarHBondContact O-N 2.94Å |
| 230 | F | 61.3 | Low | 60.1 | Low | 175 Ų | 175 | 96.6 Ų | 96.6 | 77% | 0.768 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.2 | -44.3 | 179.1 | -155.1 | -97.9 | 0 | 0 | 0 | 112.1 | Q226 S227 V228 F232 S233 | Q226-F230 WeakPolarHBondContact O-CB 3.24Å; Q226-F230 PolarHBondContact O-N 2.62Å; Q226-F230 VanDerWaalsContact O-N 3.1Å; S227-F230 PolarHBondContact O-N 3.49Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 2.93Å; F230-F232 PolarHBondContact O-N 3.32Å; F230-S233 PolarHBondContact O-OG 3.47Å |
| 231 | L | 59.1 | Low | 60.9 | Low | 135 Ų | 135 | 91.3 Ų | 91.3 | 71% | 0.707 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.1 | -31.5 | 179.1 | -94 | 157.8 | 0 | 0 | 0 | 113.6 | S227 | S227-L231 VanDerWaalsContact O-CB 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.45Å; S227-L231 PolarHBondContact O-N 3.49Å |
| 232 | F | 55 | Low | 61.7 | Low | 111 Ų | 111 | 93 Ų | 93 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 12.9 | -177.4 | -84.8 | -95.6 | 0 | 0 | 0 | 114.8 | V228 F230 G234 T235 L238 | V228-F232 HydrophobicContact CG1-CD2 4.2Å; V228-F232 VanDerWaalsContact O-CB 3.31Å; V228-F232 WeakPolarHBondContact O-CB 3.41Å; V228-F232 PolarHBondContact O-N 3.02Å; F230-F232 PolarHBondContact O-N 3.32Å; F232-G234 PolarHBondContact O-N 3.28Å; F232-T235 PolarHBondContact O-N 3.22Å; F232-T235 PolarHBondContact O-OG1 3.36Å; F232-T235 VanDerWaalsContact O-OG1 3.09Å; F232-L238 HydrophobicContact CB-CD1 3.14Å; F232-L238 HydrophobicContact CD1-CD1 3.86Å; F232-L238 HydrophobicContact CG-CD1 3.63Å |
| 233 | S | 57.9 | Low | 62.7 | Low | 103 Ų | 103 | 95.5 Ų | 95.5 | 72% | 0.72 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -9.5 | 173.8 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | I229 F230 | I229-S233 PolarHBondContact O-N 2.94Å; F230-S233 PolarHBondContact O-OG 3.47Å |
| 234 | G | 56.6 | Low | 63.6 | Low | 75 Ų | 75 | 95.9 Ų | 95.9 | 77% | 0.773 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.4 | 171 | 0 | 0 | 0 | 0 | 0 | 117.2 | F232 | F232-G234 PolarHBondContact O-N 3.28Š|
| 235 | T | 59.8 | Low | 64.5 | Low | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | trans | -121.8 | 115.6 | -178.1 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | F232 G237 L238 | F232-T235 PolarHBondContact O-N 3.22Å; F232-T235 PolarHBondContact O-OG1 3.36Å; F232-T235 VanDerWaalsContact O-OG1 3.09Å; T235-G237 PolarHBondContact O-N 3.41Å; T235-L238 PolarHBondContact O-N 3.43Å; T235-L238 VanDerWaalsContact O-N 3.09Å | ||
| 236 | L | 62.1 | Low | 65.3 | Low | 138 Ų | 138 | 93.4 Ų | 93.4 | 72% | 0.723 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -48.5 | -29.9 | 172.6 | -73.4 | 165.7 | 0 | 0 | 0 | 112.7 | L238 T239 F240 | L236-L238 PolarHBondContact O-N 3.1Å; L236-T239 PolarHBondContact O-N 3.5Å; L236-T239 PolarHBondContact O-OG1 2.98Å; L236-F240 VanDerWaalsContact O-CD2 3.23Å; L236-F240 WeakPolarHBondContact O-CD2 3.24Å; L236-F240 PolarHBondContact O-N 2.97Å |
| 237 | G | 62.9 | Low | 66.1 | Low | 44 Ų | 44 | 94.1 Ų | 94.1 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T235 T239 F240 I241 | T235-G237 PolarHBondContact O-N 3.41Å; G237-T239 VanDerWaalsContact C-N 3.34Å; G237-F240 PolarHBondContact O-N 3.22Å; G237-I241 PolarHBondContact O-N 3.47Å |
| 238 | L | 62.2 | Low | 67.1 | Low | 56 Ų | 56 | 94.7 Ų | 94.7 | 29% | 0.293 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75 | -25.9 | 178.9 | -90.5 | 159.1 | 0 | 0 | 0 | 112.8 | F232 T235 L236 F240 I241 F242 | F232-L238 HydrophobicContact CB-CD1 3.14Å; F232-L238 HydrophobicContact CD1-CD1 3.86Å; F232-L238 HydrophobicContact CG-CD1 3.63Å; T235-L238 PolarHBondContact O-N 3.43Å; T235-L238 VanDerWaalsContact O-N 3.09Å; L236-L238 PolarHBondContact O-N 3.1Å; L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 PolarHBondContact O-N 2.92Å; L238-I241 HydrophobicContact CD2-CD1 4.39Å; L238-I241 PolarHBondContact O-N 3.12Å; L238-F242 WeakPolarHBondContact O-CB 3.41Å; L238-F242 PolarHBondContact O-N 2.9Å |
| 239 | T | 66.9 | Low | 67.9 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 172.4 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | L236 G237 F242 I243 | L236-T239 PolarHBondContact O-N 3.5Å; L236-T239 PolarHBondContact O-OG1 2.98Å; G237-T239 VanDerWaalsContact C-N 3.34Å; T239-F242 PolarHBondContact O-N 3.46Å; T239-I243 WeakPolarHBondContact O-CB 3.39Å; T239-I243 WeakPolarHBondContact O-CD1 3.43Å; T239-I243 WeakPolarHBondContact O-CG1 3.4Å; T239-I243 PolarHBondContact O-N 2.66Å |
| 240 | F | 71.4 | Confident | 68.8 | Low | 133 Ų | 133 | 90.8 Ų | 90.8 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -46 | 175.2 | -71.8 | -70.3 | 0 | 0 | 0 | 112.2 | L236 G237 L238 F242 I243 D244 | L236-F240 VanDerWaalsContact O-CD2 3.23Å; L236-F240 WeakPolarHBondContact O-CD2 3.24Å; L236-F240 PolarHBondContact O-N 2.97Å; G237-F240 PolarHBondContact O-N 3.22Å; L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 PolarHBondContact O-N 2.92Å; F240-F242 VanDerWaalsContact C-N 3.28Å; F240-F242 PolarHBondContact O-N 3.04Å; F240-I243 PolarHBondContact O-N 3.31Å; F240-D244 PolarHBondContact O-N 3.43Å |
| 241 | I | 72.8 | Confident | 69.9 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 176.5 | -63.9 | 170.2 | 0 | 0 | 0 | 110.6 | G237 L238 D244 Y245 | G237-I241 PolarHBondContact O-N 3.47Å; L238-I241 HydrophobicContact CD2-CD1 4.39Å; L238-I241 PolarHBondContact O-N 3.12Å; I241-D244 PolarHBondContact O-N 3.35Å; I241-Y245 WeakPolarHBondContact O-CB 3.47Å; I241-Y245 PolarHBondContact O-N 2.85Å |
| 242 | F | 70.6 | Confident | 70.9 | Confident | 88 Ų | 88 | 86.5 Ų | 86.5 | 39% | 0.386 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 177.2 | -175.5 | -109.1 | 0 | 0 | 0 | 111.9 | L238 T239 F240 D244 Y245 L246 | L238-F242 WeakPolarHBondContact O-CB 3.41Å; L238-F242 PolarHBondContact O-N 2.9Å; T239-F242 PolarHBondContact O-N 3.46Å; F240-F242 VanDerWaalsContact C-N 3.28Å; F240-F242 PolarHBondContact O-N 3.04Å; F242-D244 VanDerWaalsContact C-N 3.32Å; F242-D244 PolarHBondContact O-N 3.37Å; F242-Y245 PolarHBondContact O-N 2.84Å; F242-L246 HydrophobicContact CD1-CD1 3.63Å; F242-L246 HydrophobicContact CD1-CG 4.08Å; F242-L246 HydrophobicContact CE1-CD1 3.3Å; F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 HydrophobicContact CE1-CG 3.8Å; F242-L246 HydrophobicContact CE2-CD2 4.4Å; F242-L246 HydrophobicContact CE2-CG 4.33Å; F242-L246 HydrophobicContact CG-CD1 4.48Å; F242-L246 HydrophobicContact CG-CG 4.48Å; F242-L246 HydrophobicContact CZ-CD1 3.88Å; F242-L246 HydrophobicContact CZ-CD2 3.92Å; F242-L246 HydrophobicContact CZ-CG 3.92Å; F242-L246 WeakPolarHBondContact O-CB 3.07Å; F242-L246 VanDerWaalsContact O-CG 3.25Å; F242-L246 WeakPolarHBondContact O-CG 3.28Å; F242-L246 PolarHBondContact O-N 3.48Å |
| 243 | I | 76.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 84.1 Ų | 84.1 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.2 | -71.7 | 162.9 | 0 | 0 | 0 | 110.6 | T239 F240 L246 R247 | T239-I243 WeakPolarHBondContact O-CB 3.39Å; T239-I243 WeakPolarHBondContact O-CD1 3.43Å; T239-I243 WeakPolarHBondContact O-CG1 3.4Å; T239-I243 PolarHBondContact O-N 2.66Å; F240-I243 PolarHBondContact O-N 3.31Å; I243-L246 PolarHBondContact O-N 3.42Å; I243-R247 VanDerWaalsContact O-CB 3.28Å; I243-R247 WeakPolarHBondContact O-CB 3.26Å; I243-R247 PolarHBondContact O-N 3.04Å |
| 244 | D | 75.9 | Confident | 73.3 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 176.3 | -86.8 | -32.6 | 0 | 0 | 0 | 112.2 | F240 I241 F242 R247 S248 | F240-D244 PolarHBondContact O-N 3.43Å; I241-D244 PolarHBondContact O-N 3.35Å; F242-D244 VanDerWaalsContact C-N 3.32Å; F242-D244 PolarHBondContact O-N 3.37Å; D244-R247 PolarHBondContact O-N 2.92Å; D244-R247 IonicContact OD1-CZ 3.07Å; D244-R247 IonicContact OD1-NE 2.84Å; D244-R247 PolarHBondContact OD1-NE 3.44Å; D244-R247 IonicContact OD1-NH2 2.71Å; D244-R247 PolarHBondContact OD1-NH2 3.36Å; D244-S248 WeakPolarHBondContact O-CB 3.5Å; D244-S248 PolarHBondContact O-N 2.99Å |
| 245 | Y | 76.8 | Confident | 74.7 | Confident | 116 Ų | 116 | 83.9 Ų | 83.9 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 173.9 | 179.4 | -98.3 | 0 | 0 | 0 | 111.6 | I213 I241 F242 R247 S248 A249 | I213-Y245 HydrophobicContact CD1-CE1 4.19Å; I241-Y245 WeakPolarHBondContact O-CB 3.47Å; I241-Y245 PolarHBondContact O-N 2.85Å; F242-Y245 PolarHBondContact O-N 2.84Å; Y245-R247 VanDerWaalsContact C-N 3.34Å; Y245-R247 PolarHBondContact O-N 2.85Å; Y245-S248 PolarHBondContact O-N 2.92Å; Y245-A249 WeakPolarHBondContact O-CB 3.23Å; Y245-A249 PolarHBondContact O-N 3.21Å |
| 246 | L | 76.8 | Confident | 75.9 | Confident | 22 Ų | 22 | 84.6 Ų | 84.6 | 12% | 0.115 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 175.3 | -76.4 | 178.9 | 0 | 0 | 0 | 111.3 | M206 L209 F242 I243 S248 A249 V250 | M206-L246 HydrophobicContact CE-CB 4.47Å; M206-L246 HydrophobicContact CE-CD1 4.03Å; M206-L246 HydrophobicContact CE-CD2 4.15Å; M206-L246 HydrophobicContact CE-CG 4.48Å; M206-L246 HydrophobicContact SD-CD1 3.75Å; M206-L246 HydrophobicContact SD-CD2 3.72Å; M206-L246 HydrophobicContact SD-CG 4.34Å; L209-L246 HydrophobicContact CD2-CD2 3.3Å; F242-L246 HydrophobicContact CD1-CD1 3.63Å; F242-L246 HydrophobicContact CD1-CG 4.08Å; F242-L246 HydrophobicContact CE1-CD1 3.3Å; F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 HydrophobicContact CE1-CG 3.8Å; F242-L246 HydrophobicContact CE2-CD2 4.4Å; F242-L246 HydrophobicContact CE2-CG 4.33Å; F242-L246 HydrophobicContact CG-CD1 4.48Å; F242-L246 HydrophobicContact CG-CG 4.48Å; F242-L246 HydrophobicContact CZ-CD1 3.88Å; F242-L246 HydrophobicContact CZ-CD2 3.92Å; F242-L246 HydrophobicContact CZ-CG 3.92Å; F242-L246 WeakPolarHBondContact O-CB 3.07Å; F242-L246 VanDerWaalsContact O-CG 3.25Å; F242-L246 WeakPolarHBondContact O-CG 3.28Å; F242-L246 PolarHBondContact O-N 3.48Å; I243-L246 PolarHBondContact O-N 3.42Å; L246-S248 PolarHBondContact O-N 3.24Å; L246-A249 PolarHBondContact O-N 3.4Å; L246-V250 WeakPolarHBondContact O-CB 3.38Å; L246-V250 VanDerWaalsContact O-CG2 3.25Å; L246-V250 WeakPolarHBondContact O-CG2 3.25Å; L246-V250 PolarHBondContact O-N 2.94Å |
| 247 | R | 80.3 | Confident | 77 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.8 | -48.4 | 177.2 | 179.2 | 177.5 | 63.1 | 151.2 | -3.2 | 110.6 | I243 D244 Y245 A249 V250 V251 | I243-R247 VanDerWaalsContact O-CB 3.28Å; I243-R247 WeakPolarHBondContact O-CB 3.26Å; I243-R247 PolarHBondContact O-N 3.04Å; D244-R247 PolarHBondContact O-N 2.92Å; D244-R247 IonicContact OD1-CZ 3.07Å; D244-R247 IonicContact OD1-NE 2.84Å; D244-R247 PolarHBondContact OD1-NE 3.44Å; D244-R247 IonicContact OD1-NH2 2.71Å; D244-R247 PolarHBondContact OD1-NH2 3.36Å; Y245-R247 VanDerWaalsContact C-N 3.34Å; Y245-R247 PolarHBondContact O-N 2.85Å; R247-A249 PolarHBondContact O-N 3.46Å; R247-V250 PolarHBondContact O-N 3.41Å; R247-V251 WeakPolarHBondContact O-CB 3.49Å; R247-V251 WeakPolarHBondContact O-CG2 3.28Å; R247-V251 PolarHBondContact O-N 2.87Å |
| 248 | S | 79.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | D244 Y245 L246 V251 Q252 | D244-S248 WeakPolarHBondContact O-CB 3.5Å; D244-S248 PolarHBondContact O-N 2.99Å; Y245-S248 PolarHBondContact O-N 2.92Å; L246-S248 PolarHBondContact O-N 3.24Å; S248-V251 PolarHBondContact O-N 3.3Å; S248-Q252 VanDerWaalsContact O-CB 3.29Å; S248-Q252 WeakPolarHBondContact O-CB 3.35Å; S248-Q252 PolarHBondContact O-N 3.34Å |
| 249 | A | 79.5 | Confident | 79.5 | Confident | 14 Ų | 14 | 93 Ų | 93 | 12% | 0.116 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L209 Y245 L246 R247 Q252 V253 | L209-A249 HydrophobicContact CD1-CB 4.03Å; L209-A249 HydrophobicContact CD2-CB 4.3Å; Y245-A249 WeakPolarHBondContact O-CB 3.23Å; Y245-A249 PolarHBondContact O-N 3.21Å; L246-A249 PolarHBondContact O-N 3.4Å; R247-A249 PolarHBondContact O-N 3.46Å; A249-Q252 PolarHBondContact O-N 2.93Å; A249-V253 VanDerWaalsContact O-CG2 3.3Å; A249-V253 WeakPolarHBondContact O-CG2 3.3Å; A249-V253 PolarHBondContact O-N 3.44Å |
| 250 | V | 80.4 | Confident | 80.5 | Confident | 43 Ų | 43 | 97 Ų | 97 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | I205 M206 L246 R247 Q252 V253 V254 | I205-V250 HydrophobicContact CG2-CG2 4.37Å; M206-V250 HydrophobicContact CE-CG2 4.4Å; L246-V250 WeakPolarHBondContact O-CB 3.38Å; L246-V250 VanDerWaalsContact O-CG2 3.25Å; L246-V250 WeakPolarHBondContact O-CG2 3.25Å; L246-V250 PolarHBondContact O-N 2.94Å; R247-V250 PolarHBondContact O-N 3.41Å; V250-Q252 VanDerWaalsContact C-N 3.3Å; V250-Q252 PolarHBondContact O-N 3.46Å; V250-V253 PolarHBondContact O-N 3.18Å; V250-V254 HydrophobicContact CG1-CG2 4.13Å; V250-V254 WeakPolarHBondContact O-CB 3.48Å; V250-V254 WeakPolarHBondContact O-CG2 3.21Å; V250-V254 PolarHBondContact O-N 3.28Å |
| 251 | V | 84.2 | Confident | 81.2 | Confident | 83 Ų | 83 | 92.2 Ų | 92.2 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | R247 S248 V253 V254 V255 | R247-V251 WeakPolarHBondContact O-CB 3.49Å; R247-V251 WeakPolarHBondContact O-CG2 3.28Å; R247-V251 PolarHBondContact O-N 2.87Å; S248-V251 PolarHBondContact O-N 3.3Å; V251-V253 PolarHBondContact O-N 3.5Å; V251-V254 PolarHBondContact O-N 2.86Å; V251-V255 HydrophobicContact CG1-CG2 4.25Å; V251-V255 WeakPolarHBondContact O-CB 3.34Å; V251-V255 VanDerWaalsContact O-CG2 3.28Å; V251-V255 WeakPolarHBondContact O-CG2 3.46Å; V251-V255 PolarHBondContact O-N 3.38Å |
| 252 | Q | 80.8 | Confident | 81.9 | Confident | 138 Ų | 138 | 93.4 Ų | 93.4 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 178.3 | -172.5 | 176.7 | 6.3 | 0 | 0 | 112.3 | S248 A249 V250 S256 | S248-Q252 VanDerWaalsContact O-CB 3.29Å; S248-Q252 WeakPolarHBondContact O-CB 3.35Å; S248-Q252 PolarHBondContact O-N 3.34Å; A249-Q252 PolarHBondContact O-N 2.93Å; V250-Q252 VanDerWaalsContact C-N 3.3Å; V250-Q252 PolarHBondContact O-N 3.46Å; Q252-S256 WeakPolarHBondContact O-CB 3.33Å; Q252-S256 PolarHBondContact O-N 3.48Å |
| 253 | V | 80.1 | Confident | 82.8 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A249 V250 V251 S256 K257 V261 | A249-V253 VanDerWaalsContact O-CG2 3.3Å; A249-V253 WeakPolarHBondContact O-CG2 3.3Å; A249-V253 PolarHBondContact O-N 3.44Å; V250-V253 PolarHBondContact O-N 3.18Å; V251-V253 PolarHBondContact O-N 3.5Å; V253-S256 PolarHBondContact O-N 2.89Å; V253-K257 PolarHBondContact O-N 3.29Å; V253-K257 VanDerWaalsContact O-N 3.11Å; V253-V261 HydrophobicContact CG1-CG2 3.83Å |
| 254 | V | 83.4 | Confident | 83.4 | Confident | 63 Ų | 63 | 90 Ų | 90 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V250 V251 W258 V261 | V250-V254 HydrophobicContact CG1-CG2 4.13Å; V250-V254 WeakPolarHBondContact O-CB 3.48Å; V250-V254 WeakPolarHBondContact O-CG2 3.21Å; V250-V254 PolarHBondContact O-N 3.28Å; V251-V254 PolarHBondContact O-N 2.86Å; V254-W258 WeakPolarHBondContact O-CA 3.34Å; V254-W258 VanDerWaalsContact O-CB 3.22Å; V254-W258 WeakPolarHBondContact O-CB 3.4Å; V254-W258 PolarHBondContact O-N 3.38Å; V254-W258 VanDerWaalsContact O-N 3.11Å; V254-V261 HydrophobicContact CG2-CG1 4.14Å |
| 255 | V | 85.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 88.3 Ų | 88.3 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.4 | -39.3 | -178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V251 | V251-V255 HydrophobicContact CG1-CG2 4.25Å; V251-V255 WeakPolarHBondContact O-CB 3.34Å; V251-V255 VanDerWaalsContact O-CG2 3.28Å; V251-V255 WeakPolarHBondContact O-CG2 3.46Å; V251-V255 PolarHBondContact O-N 3.38Å |
| 256 | S | 84.7 | Confident | 84.8 | Confident | 82 Ų | 82 | 87 Ų | 87 | 57% | 0.573 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.6 | -36.7 | -176.5 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | Q252 V253 | Q252-S256 WeakPolarHBondContact O-CB 3.33Å; Q252-S256 PolarHBondContact O-N 3.48Å; V253-S256 PolarHBondContact O-N 2.89Å |
| 257 | K | 85.9 | Confident | 85.5 | Confident | 122 Ų | 122 | 91 Ų | 91 | 53% | 0.53 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -139.9 | 50.4 | -172.4 | -64.7 | -65.5 | 176.9 | -174.9 | 0 | 112.3 | V253 E259 F260 V261 | V253-K257 PolarHBondContact O-N 3.29Å; V253-K257 VanDerWaalsContact O-N 3.11Å; K257-E259 VanDerWaalsContact C-N 3.25Å; K257-E259 PolarHBondContact O-N 2.98Å; K257-E259 VanDerWaalsContact O-N 3.16Å; K257-F260 HydrophobicContact CB-CD2 4.35Å; K257-F260 HydrophobicContact CD-CD2 4.21Å; K257-F260 PolarHBondContact O-N 2.85Å; K257-V261 WeakPolarHBondContact O-CG2 3.29Å; K257-V261 PolarHBondContact O-N 2.88Å; K257-V261 VanDerWaalsContact O-N 3.07Å |
| 258 | W | 87.9 | Confident | 86 | Confident | 167 Ų | 167 | 84.5 Ų | 84.5 | 63% | 0.633 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -53.7 | -38.3 | -174.9 | 74.1 | -86.4 | 0 | 0 | 0 | 113.6 | V254 V261 F262 | V254-W258 WeakPolarHBondContact O-CA 3.34Å; V254-W258 VanDerWaalsContact O-CB 3.22Å; V254-W258 WeakPolarHBondContact O-CB 3.4Å; V254-W258 PolarHBondContact O-N 3.38Å; V254-W258 VanDerWaalsContact O-N 3.11Å; W258-V261 PolarHBondContact O-N 3.38Å; W258-F262 VanDerWaalsContact O-CB 3.27Å; W258-F262 WeakPolarHBondContact O-CB 3.5Å; W258-F262 PolarHBondContact O-N 3.24Å |
| 259 | E | 89.5 | Confident | 86.4 | Confident | 126 Ų | 126 | 81.9 Ų | 81.9 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 179.8 | -62.6 | 178.7 | 174.5 | 0 | 0 | 112.7 | K257 F262 G263 | K257-E259 VanDerWaalsContact C-N 3.25Å; K257-E259 PolarHBondContact O-N 2.98Å; K257-E259 VanDerWaalsContact O-N 3.16Å; E259-F262 PolarHBondContact O-N 3.41Å; E259-G263 PolarHBondContact O-N 2.9Å |
| 260 | F | 87.6 | Confident | 86.9 | Confident | 153 Ų | 153 | 86 Ų | 86 | 67% | 0.671 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 178.9 | -70 | -82.4 | 0 | 0 | 0 | 111.7 | K257 F262 G263 Y264 | K257-F260 HydrophobicContact CB-CD2 4.35Å; K257-F260 HydrophobicContact CD-CD2 4.21Å; K257-F260 PolarHBondContact O-N 2.85Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F260-G263 PolarHBondContact O-N 3.23Å; F260-Y264 WeakPolarHBondContact O-CB 3.43Å; F260-Y264 PolarHBondContact O-N 3.47Å |
| 261 | V | 85.7 | Confident | 87.5 | Confident | 33 Ų | 33 | 87.2 Ų | 87.2 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 177 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | V253 V254 K257 W258 Y264 V265 | V253-V261 HydrophobicContact CG1-CG2 3.83Å; V254-V261 HydrophobicContact CG2-CG1 4.14Å; K257-V261 WeakPolarHBondContact O-CG2 3.29Å; K257-V261 PolarHBondContact O-N 2.88Å; K257-V261 VanDerWaalsContact O-N 3.07Å; W258-V261 PolarHBondContact O-N 3.38Å; V261-Y264 PolarHBondContact O-N 3.23Å; V261-V265 HydrophobicContact CG1-CG2 4.31Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.37Å; V261-V265 PolarHBondContact O-N 2.93Å |
| 262 | F | 87.6 | Confident | 87.7 | Confident | 135 Ų | 135 | 83.6 Ų | 83.6 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 177.1 | -172.9 | -96.8 | 0 | 0 | 0 | 111.7 | W258 E259 F260 Y264 V265 L266 | W258-F262 VanDerWaalsContact O-CB 3.27Å; W258-F262 WeakPolarHBondContact O-CB 3.5Å; W258-F262 PolarHBondContact O-N 3.24Å; E259-F262 PolarHBondContact O-N 3.41Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F262-Y264 PolarHBondContact O-N 3.39Å; F262-V265 PolarHBondContact O-N 3.38Å; F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 2.9Å |
| 263 | G | 89.2 | Confident | 88.1 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E259 F260 L266 I267 | E259-G263 PolarHBondContact O-N 2.9Å; F260-G263 PolarHBondContact O-N 3.23Å; G263-L266 PolarHBondContact O-N 3.35Å; G263-I267 VanDerWaalsContact O-CG1 3.3Å; G263-I267 WeakPolarHBondContact O-CG1 3.3Å; G263-I267 PolarHBondContact O-N 2.89Å |
| 264 | Y | 90.1 | Very high | 88.6 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 176.4 | 176.6 | -98.5 | 0 | 0 | 0 | 112.2 | S204 I205 V208 F260 V261 F262 L266 I267 V268 | S204-Y264 PolarHBondContact O-OH 2.82Å; S204-Y264 PolarHBondContact OG-OH 3.43Å; I205-Y264 HydrophobicContact CG1-CE1 4.27Å; V208-Y264 HydrophobicContact CG2-CE1 4.46Å; V208-Y264 HydrophobicContact CG2-CE2 4.28Å; V208-Y264 WeakPolarHBondContact CG2-OH 3.42Å; F260-Y264 WeakPolarHBondContact O-CB 3.43Å; F260-Y264 PolarHBondContact O-N 3.47Å; V261-Y264 PolarHBondContact O-N 3.23Å; F262-Y264 PolarHBondContact O-N 3.39Å; Y264-L266 VanDerWaalsContact C-N 3.27Å; Y264-L266 PolarHBondContact O-N 3.39Å; Y264-I267 PolarHBondContact O-N 3.37Å; Y264-V268 HydrophobicContact CD1-CG2 4.31Å; Y264-V268 HydrophobicContact CD2-CG2 4.17Å; Y264-V268 HydrophobicContact CE1-CG2 3.95Å; Y264-V268 HydrophobicContact CE2-CG2 3.8Å; Y264-V268 HydrophobicContact CG-CG2 4.42Å; Y264-V268 WeakPolarHBondContact O-CB 3.35Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.31Å |
| 265 | V | 89.5 | Confident | 88.9 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 177.9 | 169 | 0 | 0 | 0 | 0 | 110.4 | L201 I205 V261 F262 A269 | L201-V265 HydrophobicContact CD1-CG1 4.42Å; L201-V265 HydrophobicContact CD2-CG1 4.11Å; I205-V265 HydrophobicContact CD1-CG2 4.35Å; V261-V265 HydrophobicContact CG1-CG2 4.31Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.37Å; V261-V265 PolarHBondContact O-N 2.93Å; F262-V265 PolarHBondContact O-N 3.38Å; V265-A269 WeakPolarHBondContact O-CB 3.28Å; V265-A269 PolarHBondContact O-N 2.97Å |
| 266 | L | 91.1 | Very high | 89 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 178.2 | -173.7 | 67.7 | 0 | 0 | 0 | 111.9 | F262 G263 Y264 A269 L270 | F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 2.9Å; G263-L266 PolarHBondContact O-N 3.35Å; Y264-L266 VanDerWaalsContact C-N 3.27Å; Y264-L266 PolarHBondContact O-N 3.39Å; L266-A269 PolarHBondContact O-N 2.88Å; L266-L270 HydrophobicContact CD1-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 4.17Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 2.88Å |
| 267 | I | 91.5 | Very high | 89.1 | Confident | 108 Ų | 108 | 84 Ų | 84 | 55% | 0.554 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.9 | -49.3 | 179.6 | -67.2 | 165.2 | 0 | 0 | 0 | 110.6 | G263 Y264 A269 L270 C271 | G263-I267 VanDerWaalsContact O-CG1 3.3Å; G263-I267 WeakPolarHBondContact O-CG1 3.3Å; G263-I267 PolarHBondContact O-N 2.89Å; Y264-I267 PolarHBondContact O-N 3.37Å; I267-A269 VanDerWaalsContact C-N 3.28Å; I267-A269 PolarHBondContact O-N 2.8Å; I267-L270 PolarHBondContact O-N 3.28Å; I267-C271 WeakPolarHBondContact O-CB 3.4Å; I267-C271 PolarHBondContact O-N 2.82Å; I267-C271 PolarHBondContact O-SG 3.26Å; I267-C271 VanDerWaalsContact O-SG 3.37Å |
| 268 | V | 91.5 | Very high | 89.2 | Confident | 23 Ų | 23 | 88.3 Ų | 88.3 | 14% | 0.139 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 179 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | V200 L201 Y264 S272 | V200-V268 HydrophobicContact CG1-CG1 4.47Å; L201-V268 HydrophobicContact CD2-CB 3.85Å; L201-V268 HydrophobicContact CD2-CG1 3.68Å; Y264-V268 HydrophobicContact CD1-CG2 4.31Å; Y264-V268 HydrophobicContact CD2-CG2 4.17Å; Y264-V268 HydrophobicContact CE1-CG2 3.95Å; Y264-V268 HydrophobicContact CE2-CG2 3.8Å; Y264-V268 HydrophobicContact CG-CG2 4.42Å; Y264-V268 WeakPolarHBondContact O-CB 3.35Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.31Å; V268-S272 VanDerWaalsContact O-CB 3.29Å; V268-S272 WeakPolarHBondContact O-CB 3.23Å; V268-S272 PolarHBondContact O-N 3.15Å; V268-S272 PolarHBondContact O-OG 3.47Å |
| 269 | A | 88.2 | Confident | 89.1 | Confident | 20 Ų | 20 | 84 Ų | 84 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | M197 L201 V265 L266 I267 C271 S272 L273 | M197-A269 VanDerWaalsContact CE-C 3.5Å; M197-A269 VanDerWaalsContact CE-CA 3.44Å; M197-A269 HydrophobicContact CE-CB 3.62Å; M197-A269 WeakPolarHBondContact CE-O 3.48Å; L201-A269 HydrophobicContact CD1-CB 4.31Å; L201-A269 HydrophobicContact CD2-CB 4.34Å; V265-A269 WeakPolarHBondContact O-CB 3.28Å; V265-A269 PolarHBondContact O-N 2.97Å; L266-A269 PolarHBondContact O-N 2.88Å; I267-A269 VanDerWaalsContact C-N 3.28Å; I267-A269 PolarHBondContact O-N 2.8Å; A269-C271 PolarHBondContact O-N 3.3Å; A269-S272 WeakPolarHBondContact CA-OG 3.48Å; A269-S272 PolarHBondContact O-N 3.29Å; A269-S272 PolarHBondContact O-OG 3.48Å; A269-L273 WeakPolarHBondContact O-CB 3.25Å; A269-L273 PolarHBondContact O-N 3.31Å |
| 270 | L | 91.3 | Very high | 88.8 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 179.4 | -70 | 171.9 | 0 | 0 | 0 | 112.1 | L266 I267 S272 L273 V274 | L266-L270 HydrophobicContact CD1-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 4.17Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 2.88Å; I267-L270 PolarHBondContact O-N 3.28Å; L270-S272 PolarHBondContact O-N 3.41Å; L270-L273 PolarHBondContact O-N 2.88Å; L270-V274 WeakPolarHBondContact O-CG2 3.39Å; L270-V274 PolarHBondContact O-N 3.33Å |
| 271 | C | 91.5 | Very high | 88.5 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 46% | 0.459 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | I267 A269 L273 V274 I275 | I267-C271 WeakPolarHBondContact O-CB 3.4Å; I267-C271 PolarHBondContact O-N 2.82Å; I267-C271 PolarHBondContact O-SG 3.26Å; I267-C271 VanDerWaalsContact O-SG 3.37Å; A269-C271 PolarHBondContact O-N 3.3Å; C271-L273 VanDerWaalsContact C-N 3.33Å; C271-L273 PolarHBondContact O-N 2.9Å; C271-V274 PolarHBondContact O-N 3.43Å; C271-I275 VanDerWaalsContact O-CG1 3.26Å; C271-I275 WeakPolarHBondContact O-CG1 3.41Å; C271-I275 PolarHBondContact O-N 3.48Å |
| 272 | S | 89.8 | Confident | 88.1 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.2 | -33.7 | 178.7 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | M197 V268 A269 L270 I275 L276 | M197-S272 WeakPolarHBondContact CE-OG 3.46Å; M197-S272 VanDerWaalsContact SD-C 3.55Å; M197-S272 PolarHBondContact SD-OG 3.07Å; V268-S272 VanDerWaalsContact O-CB 3.29Å; V268-S272 WeakPolarHBondContact O-CB 3.23Å; V268-S272 PolarHBondContact O-N 3.15Å; V268-S272 PolarHBondContact O-OG 3.47Å; A269-S272 WeakPolarHBondContact CA-OG 3.48Å; A269-S272 PolarHBondContact O-N 3.29Å; A269-S272 PolarHBondContact O-OG 3.48Å; L270-S272 PolarHBondContact O-N 3.41Å; S272-I275 PolarHBondContact O-N 2.87Å; S272-L276 VanDerWaalsContact O-CB 3.26Å; S272-L276 WeakPolarHBondContact O-CB 3.39Å; S272-L276 WeakPolarHBondContact O-CD1 3.41Å; S272-L276 VanDerWaalsContact O-CG 3.22Å; S272-L276 WeakPolarHBondContact O-CG 3.21Å; S272-L276 PolarHBondContact O-N 2.76Å |
| 273 | L | 87.9 | Confident | 87.7 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 174.2 | -169.5 | 159.7 | 0 | 0 | 0 | 110.3 | M197 A269 L270 C271 I275 L276 Y277 | M197-L273 HydrophobicContact CE-CB 4.09Å; M197-L273 VanDerWaalsContact SD-CA 3.53Å; M197-L273 HydrophobicContact SD-CB 3.78Å; M197-L273 PolarHBondContact SD-N 3.25Å; A269-L273 WeakPolarHBondContact O-CB 3.25Å; A269-L273 PolarHBondContact O-N 3.31Å; L270-L273 PolarHBondContact O-N 2.88Å; C271-L273 VanDerWaalsContact C-N 3.33Å; C271-L273 PolarHBondContact O-N 2.9Å; L273-I275 VanDerWaalsContact C-N 3.34Å; L273-I275 PolarHBondContact O-N 3.35Å; L273-L276 PolarHBondContact O-N 3.33Å; L273-Y277 WeakPolarHBondContact O-CB 3.16Å; L273-Y277 PolarHBondContact O-N 3.08Å |
| 274 | V | 90.5 | Very high | 87.2 | Confident | 93 Ų | 93 | 80.1 Ų | 80.1 | 56% | 0.564 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L270 C271 Y277 W278 | L270-V274 WeakPolarHBondContact O-CG2 3.39Å; L270-V274 PolarHBondContact O-N 3.33Å; C271-V274 PolarHBondContact O-N 3.43Å; V274-Y277 PolarHBondContact O-N 2.89Å; V274-W278 WeakPolarHBondContact O-CB 3.26Å; V274-W278 PolarHBondContact O-N 3.32Å |
| 275 | I | 89.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 179.3 | -67.6 | 165 | 0 | 0 | 0 | 111.4 | C271 S272 L273 Y277 W278 L279 | C271-I275 VanDerWaalsContact O-CG1 3.26Å; C271-I275 WeakPolarHBondContact O-CG1 3.41Å; C271-I275 PolarHBondContact O-N 3.48Å; S272-I275 PolarHBondContact O-N 2.87Å; L273-I275 VanDerWaalsContact C-N 3.34Å; L273-I275 PolarHBondContact O-N 3.35Å; I275-Y277 VanDerWaalsContact C-N 3.34Å; I275-Y277 PolarHBondContact O-N 3.39Å; I275-W278 PolarHBondContact O-N 2.9Å; I275-L279 HydrophobicContact CG2-CD1 3.59Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 3.38Å |
| 276 | L | 87.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 179.3 | -76.9 | 166.2 | 0 | 0 | 0 | 112 | Y193 M197 S272 L273 Q280 I281 | Y193-L276 HydrophobicContact CD1-CB 4.21Å; Y193-L276 HydrophobicContact CE1-CB 4.14Å; M197-L276 HydrophobicContact CG-CD1 3.84Å; M197-L276 HydrophobicContact SD-CD1 3.83Å; S272-L276 VanDerWaalsContact O-CB 3.26Å; S272-L276 WeakPolarHBondContact O-CB 3.39Å; S272-L276 WeakPolarHBondContact O-CD1 3.41Å; S272-L276 VanDerWaalsContact O-CG 3.22Å; S272-L276 WeakPolarHBondContact O-CG 3.21Å; S272-L276 PolarHBondContact O-N 2.76Å; L273-L276 PolarHBondContact O-N 3.33Å; L276-Q280 PolarHBondContact O-N 3.33Å; L276-I281 HydrophobicContact CD2-CB 4.46Å; L276-I281 HydrophobicContact CD2-CD1 4.2Å; L276-I281 PolarHBondContact O-N 3.45Å |
| 277 | Y | 87 | Confident | 85.6 | Confident | 163 Ų | 163 | 82.7 Ų | 82.7 | 64% | 0.639 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.2 | -45.9 | 175.6 | 179.9 | -101 | 0 | 0 | 0 | 111.2 | L273 V274 I275 Q280 | L273-Y277 WeakPolarHBondContact O-CB 3.16Å; L273-Y277 PolarHBondContact O-N 3.08Å; V274-Y277 PolarHBondContact O-N 2.89Å; I275-Y277 VanDerWaalsContact C-N 3.34Å; I275-Y277 PolarHBondContact O-N 3.39Å; Y277-Q280 WeakPolarHBondContact O-CG 3.37Å; Y277-Q280 PolarHBondContact O-N 3.05Å |
| 278 | W | 89.6 | Confident | 85.1 | Confident | 211 Ų | 211 | 82.4 Ų | 82.4 | 80% | 0.799 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | -178.7 | -162.1 | 76.6 | 0 | 0 | 0 | 112.3 | V274 I275 Q280 | V274-W278 WeakPolarHBondContact O-CB 3.26Å; V274-W278 PolarHBondContact O-N 3.32Å; I275-W278 PolarHBondContact O-N 2.9Å; W278-Q280 VanDerWaalsContact C-N 3.26Å; W278-Q280 PolarHBondContact O-N 2.84Å |
| 279 | L | 85.5 | Confident | 84.6 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -77.6 | -10 | 176.2 | -67.2 | 167.7 | 0 | 0 | 0 | 113.1 | I275 I281 | I275-L279 HydrophobicContact CG2-CD1 3.59Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 3.38Å; L279-I281 HydrophobicContact CB-CD1 3.69Å; L279-I281 HydrophobicContact CB-CG1 3.59Å; L279-I281 HydrophobicContact CD1-CD1 3.74Å; L279-I281 HydrophobicContact CG-CD1 4.36Å; L279-I281 PolarHBondContact O-N 2.94Å |
| 280 | Q | 82 | Confident | 84.3 | Confident | 97 Ų | 97 | 91.2 Ų | 91.2 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 32.8 | -177.2 | -62.3 | 178.7 | -18.6 | 0 | 0 | 113.2 | L276 Y277 W278 D283 R284 | L276-Q280 PolarHBondContact O-N 3.33Å; Y277-Q280 WeakPolarHBondContact O-CG 3.37Å; Y277-Q280 PolarHBondContact O-N 3.05Å; W278-Q280 VanDerWaalsContact C-N 3.26Å; W278-Q280 PolarHBondContact O-N 2.84Å; Q280-D283 PolarHBondContact O-N 3.26Å; Q280-R284 HydrophobicContact CB-CG 4.49Å; Q280-R284 WeakPolarHBondContact O-CB 3.34Å; Q280-R284 WeakPolarHBondContact O-CG 3.39Å; Q280-R284 PolarHBondContact O-N 3.35Å |
| 281 | I | 80.9 | Confident | 84 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 41% | 0.41 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | -172.9 | -63.5 | 162.2 | 0 | 0 | 0 | 110.8 | L276 L279 D283 R284 L285 | L276-I281 HydrophobicContact CD2-CB 4.46Å; L276-I281 HydrophobicContact CD2-CD1 4.2Å; L276-I281 PolarHBondContact O-N 3.45Å; L279-I281 HydrophobicContact CB-CD1 3.69Å; L279-I281 HydrophobicContact CB-CG1 3.59Å; L279-I281 HydrophobicContact CD1-CD1 3.74Å; L279-I281 HydrophobicContact CG-CD1 4.36Å; L279-I281 PolarHBondContact O-N 2.94Å; I281-D283 VanDerWaalsContact C-N 3.35Å; I281-D283 PolarHBondContact O-N 3.29Å; I281-R284 PolarHBondContact O-N 3.29Å; I281-L285 WeakPolarHBondContact O-CB 3.4Å; I281-L285 PolarHBondContact O-N 3.41Å |
| 282 | P | 78.6 | Confident | 83.6 | Confident | 5 Ų | 5 | 94.6 Ų | 94.6 | 3% | 0.032 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | -179 | -26.2 | 38.9 | 0 | 0 | 0 | 112.5 | Y193 L285 V286 | Y193-P282 HydrophobicContact CD1-CG 3.84Å; Y193-P282 HydrophobicContact CD2-CB 3.94Å; Y193-P282 HydrophobicContact CD2-CG 3.98Å; Y193-P282 HydrophobicContact CE1-CB 4.5Å; Y193-P282 HydrophobicContact CE1-CG 3.72Å; Y193-P282 HydrophobicContact CE2-CB 3.73Å; Y193-P282 HydrophobicContact CE2-CG 3.85Å; Y193-P282 HydrophobicContact CG-CB 4.4Å; Y193-P282 HydrophobicContact CG-CG 3.96Å; P282-L285 PolarHBondContact O-N 3.31Å; P282-V286 WeakPolarHBondContact O-CB 3.42Å; P282-V286 VanDerWaalsContact O-CG2 3.27Å; P282-V286 WeakPolarHBondContact O-CG2 3.33Å; P282-V286 PolarHBondContact O-N 2.61Å |
| 283 | D | 79.4 | Confident | 83.3 | Confident | 59 Ų | 59 | 97.5 Ų | 97.5 | 32% | 0.316 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | -178 | -61.7 | -53.8 | 0 | 0 | 0 | 111.7 | I189 Y193 Q280 I281 K287 | I189-D283 WeakPolarHBondContact CG2-OD1 3.3Å; Y193-D283 PolarHBondContact OH-OD2 2.87Å; Q280-D283 PolarHBondContact O-N 3.26Å; I281-D283 VanDerWaalsContact C-N 3.35Å; I281-D283 PolarHBondContact O-N 3.29Å; D283-K287 VanDerWaalsContact O-CB 3.28Å; D283-K287 WeakPolarHBondContact O-CB 3.31Å; D283-K287 PolarHBondContact O-N 3.18Å; D283-K287 VanDerWaalsContact O-N 3.09Å |
| 284 | R | 77.9 | Confident | 83.2 | Confident | 153 Ų | 153 | 98.2 Ų | 98.2 | 58% | 0.577 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.1 | -39.7 | 173.9 | -70.8 | -177.9 | -177.3 | -165.4 | 3.6 | 111.8 | Q280 I281 N288 | Q280-R284 HydrophobicContact CB-CG 4.49Å; Q280-R284 WeakPolarHBondContact O-CB 3.34Å; Q280-R284 WeakPolarHBondContact O-CG 3.39Å; Q280-R284 PolarHBondContact O-N 3.35Å; I281-R284 PolarHBondContact O-N 3.29Å; R284-N288 WeakPolarHBondContact O-CB 3.44Å; R284-N288 VanDerWaalsContact O-CG 3.26Å; R284-N288 PolarHBondContact O-N 3.02Å |
| 285 | L | 79.5 | Confident | 83.1 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | -178.9 | -166.7 | 72.7 | 0 | 0 | 0 | 111.3 | I281 P282 Y289 T292 | I281-L285 WeakPolarHBondContact O-CB 3.4Å; I281-L285 PolarHBondContact O-N 3.41Å; P282-L285 PolarHBondContact O-N 3.31Å; L285-Y289 HydrophobicContact CD1-CD2 4.02Å; L285-Y289 WeakPolarHBondContact O-CB 3.47Å; L285-Y289 PolarHBondContact O-N 3.43Å; L285-Y289 VanDerWaalsContact O-N 3.11Å; L285-T292 HydrophobicContact CD1-CG2 4.43Å; L285-T292 HydrophobicContact CG-CG2 4.33Å |
| 286 | V | 79.1 | Confident | 82.9 | Confident | 21 Ų | 21 | 95.8 Ų | 95.8 | 13% | 0.127 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | Y192 P282 K293 | Y192-V286 HydrophobicContact CD1-CG2 4.46Å; Y192-V286 HydrophobicContact CD2-CG2 3.55Å; Y192-V286 HydrophobicContact CE1-CG2 4.41Å; Y192-V286 HydrophobicContact CE2-CG2 3.51Å; Y192-V286 HydrophobicContact CG-CG2 4.06Å; P282-V286 WeakPolarHBondContact O-CB 3.42Å; P282-V286 VanDerWaalsContact O-CG2 3.27Å; P282-V286 WeakPolarHBondContact O-CG2 3.33Å; P282-V286 PolarHBondContact O-N 2.61Å; V286-K293 VanDerWaalsContact CG1-CE 3.49Å |
| 287 | K | 79.3 | Confident | 82.8 | Confident | 180 Ų | 180 | 95.8 Ų | 95.8 | 78% | 0.783 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -77.9 | -43.3 | -179.1 | -169.8 | 176.3 | -178.8 | -179.9 | 0 | 112.9 | D283 | D283-K287 VanDerWaalsContact O-CB 3.28Å; D283-K287 WeakPolarHBondContact O-CB 3.31Å; D283-K287 PolarHBondContact O-N 3.18Å; D283-K287 VanDerWaalsContact O-N 3.09Å |
| 288 | N | 80.7 | Confident | 82.8 | Confident | 101 Ų | 101 | 93.5 Ų | 93.5 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -84.3 | -25.8 | -172.8 | -65.3 | -8.6 | 0 | 0 | 0 | 112.9 | R284 P290 | R284-N288 WeakPolarHBondContact O-CB 3.44Å; R284-N288 VanDerWaalsContact O-CG 3.26Å; R284-N288 PolarHBondContact O-N 3.02Å; N288-P290 WeakPolarHBondContact O-CD 3.18Å |
| 289 | Y | 81.4 | Confident | 82.8 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | trans | -124.5 | 81.1 | -172.9 | -60.3 | -81.5 | 0 | 0 | 0 | 112 | L285 R291 T292 | L285-Y289 HydrophobicContact CD1-CD2 4.02Å; L285-Y289 WeakPolarHBondContact O-CB 3.47Å; L285-Y289 PolarHBondContact O-N 3.43Å; L285-Y289 VanDerWaalsContact O-N 3.11Å; Y289-R291 PolarHBondContact O-N 2.71Å; Y289-R291 VanDerWaalsContact O-N 3.07Å; Y289-T292 WeakPolarHBondContact O-CB 3.37Å; Y289-T292 PolarHBondContact O-N 3.35Å; Y289-T292 PolarHBondContact O-OG1 2.88Å | ||
| 290 | P | 82 | Confident | 82.9 | Confident | 91 Ų | 91 | 86.3 Ų | 86.3 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.4 | -22.8 | 176.6 | 25.4 | -34.8 | 0 | 0 | 0 | 112.9 | N288 T292 K293 | N288-P290 WeakPolarHBondContact O-CD 3.18Å; P290-T292 PolarHBondContact O-N 3.48Å; P290-K293 PolarHBondContact O-N 2.92Å |
| 291 | R | 84.6 | Confident | 83.2 | Confident | 210 Ų | 210 | 83.6 Ų | 83.6 | 79% | 0.792 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.7 | -31.3 | 174.1 | -65.4 | -175.9 | -179.1 | 172.4 | 0.5 | 112.7 | Y289 K293 V294 I295 | Y289-R291 PolarHBondContact O-N 2.71Å; Y289-R291 VanDerWaalsContact O-N 3.07Å; R291-K293 VanDerWaalsContact C-N 3.31Å; R291-K293 PolarHBondContact O-N 3.43Å; R291-V294 PolarHBondContact O-N 3.01Å; R291-I295 WeakPolarHBondContact O-CG1 3.44Å; R291-I295 PolarHBondContact O-N 3.41Å; R291-I295 VanDerWaalsContact O-N 3.14Å |
| 292 | T | 83.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 84.8 Ų | 84.8 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | L285 Y289 P290 V294 I295 T296 | L285-T292 HydrophobicContact CD1-CG2 4.43Å; L285-T292 HydrophobicContact CG-CG2 4.33Å; Y289-T292 WeakPolarHBondContact O-CB 3.37Å; Y289-T292 PolarHBondContact O-N 3.35Å; Y289-T292 PolarHBondContact O-OG1 2.88Å; P290-T292 PolarHBondContact O-N 3.48Å; T292-V294 VanDerWaalsContact C-N 3.3Å; T292-V294 PolarHBondContact O-N 3.43Å; T292-I295 PolarHBondContact O-N 3.37Å; T292-T296 WeakPolarHBondContact O-CG2 3.17Å; T292-T296 PolarHBondContact O-N 3.46Å; T292-T296 PolarHBondContact O-OG1 2.91Å |
| 293 | K | 83.6 | Confident | 84 | Confident | 69 Ų | 69 | 86.4 Ų | 86.4 | 30% | 0.3 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.6 | -63.3 | -173.6 | 175 | -167.4 | 0 | 112.9 | N187 V286 P290 R291 T296 T297 | N187-K293 PolarHBondContact OD1-NZ 3.49Å; V286-K293 VanDerWaalsContact CG1-CE 3.49Å; P290-K293 PolarHBondContact O-N 2.92Å; R291-K293 VanDerWaalsContact C-N 3.31Å; R291-K293 PolarHBondContact O-N 3.43Å; K293-T296 WeakPolarHBondContact CA-OG1 3.41Å; K293-T296 PolarHBondContact O-OG1 2.95Å; K293-T296 VanDerWaalsContact O-OG1 3.12Å; K293-T297 VanDerWaalsContact O-CB 3.31Å; K293-T297 WeakPolarHBondContact O-CB 3.34Å; K293-T297 PolarHBondContact O-N 3.47Å; K293-T297 PolarHBondContact O-OG1 3.48Å |
| 294 | V | 85.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 62% | 0.624 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.2 | -44.2 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 110 | R291 T292 T297 L298 | R291-V294 PolarHBondContact O-N 3.01Å; T292-V294 VanDerWaalsContact C-N 3.3Å; T292-V294 PolarHBondContact O-N 3.43Å; V294-T297 PolarHBondContact O-N 3.46Å; V294-L298 WeakPolarHBondContact O-CB 3.42Å; V294-L298 PolarHBondContact O-N 2.86Å |
| 295 | I | 87 | Confident | 84.9 | Confident | 112 Ų | 112 | 76.3 Ų | 76.3 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.4 | -44.7 | 179.3 | -64.2 | 167.8 | 0 | 0 | 0 | 111 | R291 T292 L298 F299 | R291-I295 WeakPolarHBondContact O-CG1 3.44Å; R291-I295 PolarHBondContact O-N 3.41Å; R291-I295 VanDerWaalsContact O-N 3.14Å; T292-I295 PolarHBondContact O-N 3.37Å; I295-L298 PolarHBondContact O-N 2.94Å; I295-F299 WeakPolarHBondContact O-CB 3.36Å; I295-F299 PolarHBondContact O-N 3.4Å |
| 296 | T | 85.6 | Confident | 85.3 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 16% | 0.16 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66 | -41 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | A186 Y192 T292 K293 L298 F299 F300 | A186-T296 WeakPolarHBondContact CB-OG1 3.27Å; Y192-T296 HydrophobicContact CE1-CG2 4.01Å; Y192-T296 PolarHBondContact OH-OG1 3.48Å; Y192-T296 VanDerWaalsContact OH-OG1 3.14Å; T292-T296 WeakPolarHBondContact O-CG2 3.17Å; T292-T296 PolarHBondContact O-N 3.46Å; T292-T296 PolarHBondContact O-OG1 2.91Å; K293-T296 WeakPolarHBondContact CA-OG1 3.41Å; K293-T296 PolarHBondContact O-OG1 2.95Å; K293-T296 VanDerWaalsContact O-OG1 3.12Å; T296-L298 VanDerWaalsContact C-N 3.34Å; T296-L298 PolarHBondContact O-N 3.29Å; T296-F299 WeakPolarHBondContact O-CB 3.38Å; T296-F299 PolarHBondContact O-N 2.91Å; T296-F300 WeakPolarHBondContact O-CD2 3.17Å; T296-F300 PolarHBondContact O-N 3.28Å |
| 297 | T | 86.9 | Confident | 85.6 | Confident | 22 Ų | 22 | 76.9 Ų | 76.9 | 14% | 0.135 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | E183 A186 K293 V294 F299 F300 R301 | E183-T297 HydrophobicContact CG-CG2 4.08Å; A186-T297 WeakPolarHBondContact CB-OG1 3.27Å; K293-T297 VanDerWaalsContact O-CB 3.31Å; K293-T297 WeakPolarHBondContact O-CB 3.34Å; K293-T297 PolarHBondContact O-N 3.47Å; K293-T297 PolarHBondContact O-OG1 3.48Å; V294-T297 PolarHBondContact O-N 3.46Å; T297-F299 VanDerWaalsContact C-N 3.34Å; T297-F299 PolarHBondContact O-N 2.87Å; T297-F300 PolarHBondContact O-N 2.84Å; T297-R301 WeakPolarHBondContact O-CG 3.43Å; T297-R301 PolarHBondContact O-N 3.34Å |
| 298 | L | 86.9 | Confident | 86 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 60% | 0.602 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 177.7 | -177 | 67.4 | 0 | 0 | 0 | 111.3 | V294 I295 T296 R301 F302 | V294-L298 WeakPolarHBondContact O-CB 3.42Å; V294-L298 PolarHBondContact O-N 2.86Å; I295-L298 PolarHBondContact O-N 2.94Å; T296-L298 VanDerWaalsContact C-N 3.34Å; T296-L298 PolarHBondContact O-N 3.29Å; L298-R301 PolarHBondContact O-N 2.87Å; L298-F302 WeakPolarHBondContact O-CB 3.42Å; L298-F302 PolarHBondContact O-N 3.28Å |
| 299 | F | 87.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 65 Ų | 65 | 55% | 0.548 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 177 | 178 | -98.2 | 0 | 0 | 0 | 111.5 | I295 T296 T297 R301 F302 V303 | I295-F299 WeakPolarHBondContact O-CB 3.36Å; I295-F299 PolarHBondContact O-N 3.4Å; T296-F299 WeakPolarHBondContact O-CB 3.38Å; T296-F299 PolarHBondContact O-N 2.91Å; T297-F299 VanDerWaalsContact C-N 3.34Å; T297-F299 PolarHBondContact O-N 2.87Å; F299-R301 VanDerWaalsContact C-N 3.32Å; F299-R301 PolarHBondContact O-N 3.07Å; F299-F302 PolarHBondContact O-N 3Å; F299-V303 HydrophobicContact CD1-CG2 4.28Å; F299-V303 HydrophobicContact CD2-CG2 4.25Å; F299-V303 HydrophobicContact CE1-CG2 3.9Å; F299-V303 HydrophobicContact CE2-CG2 3.87Å; F299-V303 HydrophobicContact CG-CG2 4.45Å; F299-V303 HydrophobicContact CZ-CG2 3.68Å; F299-V303 WeakPolarHBondContact O-CG2 3.22Å; F299-V303 PolarHBondContact O-N 2.91Å |
| 300 | F | 88.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 176.7 | -76.8 | -60.6 | 0 | 0 | 0 | 113.2 | M178 L185 F191 T296 T297 G304 | M178-F300 HydrophobicContact SD-CD1 3.82Å; M178-F300 HydrophobicContact SD-CE1 4.2Å; L185-F300 HydrophobicContact CB-CD2 4.08Å; L185-F300 HydrophobicContact CB-CE1 4.44Å; L185-F300 HydrophobicContact CB-CE2 3.59Å; L185-F300 HydrophobicContact CB-CZ 3.74Å; L185-F300 HydrophobicContact CD1-CE1 4.35Å; L185-F300 HydrophobicContact CD1-CZ 4.45Å; L185-F300 HydrophobicContact CD2-CZ 4.2Å; L185-F300 HydrophobicContact CG-CZ 4.36Å; F191-F300 HydrophobicContact CD1-CE2 4.05Å; F191-F300 AromaticContact CD1-CZ 3.92Å; F191-F300 HydrophobicContact CD1-CZ 3.92Å; F191-F300 AromaticContact CD2-CZ 3.8Å; F191-F300 HydrophobicContact CD2-CZ 3.8Å; F191-F300 AromaticContact CE1-CE2 3.65Å; F191-F300 HydrophobicContact CE1-CE2 3.65Å; F191-F300 AromaticContact CE1-CZ 3.43Å; F191-F300 HydrophobicContact CE1-CZ 3.43Å; F191-F300 VanDerWaalsContact CE1-CZ 3.43Å; F191-F300 AromaticContact CE2-CE1 3.95Å; F191-F300 HydrophobicContact CE2-CE1 3.95Å; F191-F300 HydrophobicContact CE2-CE2 4.34Å; F191-F300 AromaticContact CE2-CZ 3.32Å; F191-F300 HydrophobicContact CE2-CZ 3.32Å; F191-F300 HydrophobicContact CG-CZ 4.1Å; F191-F300 AromaticContact CZ-CE1 3.91Å; F191-F300 HydrophobicContact CZ-CE1 3.91Å; F191-F300 AromaticContact CZ-CE2 3.83Å; F191-F300 HydrophobicContact CZ-CE2 3.83Å; F191-F300 AromaticContact CZ-CZ 3.12Å; F191-F300 HydrophobicContact CZ-CZ 3.12Å; T296-F300 WeakPolarHBondContact O-CD2 3.17Å; T296-F300 PolarHBondContact O-N 3.28Å; T297-F300 PolarHBondContact O-N 2.84Å; F300-G304 WeakPolarHBondContact O-CA 3.27Å; F300-G304 PolarHBondContact O-N 3.36Å |
| 301 | R | 88.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.5 | -71 | -179.7 | -167.6 | -170.5 | 9.7 | 112.1 | L179 S182 E183 T297 L298 F299 S305 | L179-R301 HydrophobicContact CD2-CB 4.28Å; L179-R301 HydrophobicContact CD2-CG 4.44Å; L179-R301 WeakPolarHBondContact CD2-O 3.41Å; S182-R301 PolarHBondContact OG-NE 3.05Å; E183-R301 IonicContact OE1-NH2 2.81Å; E183-R301 PolarHBondContact OE1-NH2 3.19Å; T297-R301 WeakPolarHBondContact O-CG 3.43Å; T297-R301 PolarHBondContact O-N 3.34Å; L298-R301 PolarHBondContact O-N 2.87Å; F299-R301 VanDerWaalsContact C-N 3.32Å; F299-R301 PolarHBondContact O-N 3.07Å; R301-S305 WeakPolarHBondContact O-CB 3.15Å; R301-S305 PolarHBondContact O-N 2.88Å; R301-S305 PolarHBondContact O-OG 3.33Å |
| 302 | F | 88.3 | Confident | 85.8 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -53.7 | 176.7 | -170.3 | -86 | 0 | 0 | 0 | 110.2 | L298 F299 G304 S305 L306 F354 | L298-F302 WeakPolarHBondContact O-CB 3.42Å; L298-F302 PolarHBondContact O-N 3.28Å; F299-F302 PolarHBondContact O-N 3Å; F302-G304 PolarHBondContact O-N 3.27Å; F302-S305 PolarHBondContact O-N 3.48Å; F302-L306 HydrophobicContact CE1-CD1 3.85Å; F302-L306 HydrophobicContact CZ-CD1 4.34Å; F302-L306 WeakPolarHBondContact O-CB 3.29Å; F302-L306 PolarHBondContact O-N 3.32Å; F302-F354 HydrophobicContact CD2-CE1 4.03Å; F302-F354 HydrophobicContact CD2-CE2 4.22Å; F302-F354 AromaticContact CD2-CZ 3.32Å; F302-F354 HydrophobicContact CD2-CZ 3.32Å; F302-F354 AromaticContact CE2-CE1 3.82Å; F302-F354 HydrophobicContact CE2-CE1 3.82Å; F302-F354 HydrophobicContact CE2-CE2 4.27Å; F302-F354 AromaticContact CE2-CZ 3.4Å; F302-F354 HydrophobicContact CE2-CZ 3.4Å; F302-F354 HydrophobicContact CG-CE2 4.47Å; F302-F354 AromaticContact CG-CZ 3.95Å; F302-F354 HydrophobicContact CG-CZ 3.95Å; F302-F354 HydrophobicContact CZ-CZ 4.12Å; F302-F354 WeakPolarHBondContact O-CE2 3.47Å |
| 303 | V | 88.6 | Confident | 85.1 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | -179.9 | -178 | 0 | 0 | 0 | 0 | 111.3 | M178 F299 L306 L307 | M178-V303 HydrophobicContact CE-CB 4.04Å; M178-V303 HydrophobicContact CE-CG1 3.45Å; M178-V303 VanDerWaalsContact CE-CG1 3.45Å; F299-V303 HydrophobicContact CD1-CG2 4.28Å; F299-V303 HydrophobicContact CD2-CG2 4.25Å; F299-V303 HydrophobicContact CE1-CG2 3.9Å; F299-V303 HydrophobicContact CE2-CG2 3.87Å; F299-V303 HydrophobicContact CG-CG2 4.45Å; F299-V303 HydrophobicContact CZ-CG2 3.68Å; F299-V303 WeakPolarHBondContact O-CG2 3.22Å; F299-V303 PolarHBondContact O-N 2.91Å; V303-L306 PolarHBondContact O-N 2.9Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4.31Å; V303-L307 WeakPolarHBondContact O-CB 3.45Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.18Å; V303-L307 PolarHBondContact O-N 2.9Å |
| 304 | G | 87.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G175 F300 F302 L306 L307 F308 | G175-G304 WeakPolarHBondContact CA-O 3.43Å; G175-G304 WeakPolarHBondContact O-CA 3.37Å; F300-G304 WeakPolarHBondContact O-CA 3.27Å; F300-G304 PolarHBondContact O-N 3.36Å; F302-G304 PolarHBondContact O-N 3.27Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.47Å; G304-L307 PolarHBondContact O-N 3.31Å; G304-F308 WeakPolarHBondContact O-CB 3.37Å; G304-F308 PolarHBondContact O-N 3.43Å |
| 305 | S | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.4 | -63 | 0 | 0 | 0 | 0 | 111.4 | L179 R301 F302 F308 V309 F354 N358 | L179-S305 WeakPolarHBondContact CD2-OG 3.41Å; R301-S305 WeakPolarHBondContact O-CB 3.15Å; R301-S305 PolarHBondContact O-N 2.88Å; R301-S305 PolarHBondContact O-OG 3.33Å; F302-S305 PolarHBondContact O-N 3.48Å; S305-F308 PolarHBondContact O-N 2.86Å; S305-V309 WeakPolarHBondContact O-CB 3.45Å; S305-V309 WeakPolarHBondContact O-CG2 3.37Å; S305-V309 PolarHBondContact O-N 3.45Å; S305-F354 VanDerWaalsContact CB-CE2 3.41Å; S305-N358 VanDerWaalsContact CB-ND2 3.33Å; S305-N358 WeakPolarHBondContact CB-ND2 3.45Å; S305-N358 VanDerWaalsContact OG-CG 3.32Å; S305-N358 PolarHBondContact OG-ND2 3.08Å; S305-N358 PolarHBondContact OG-OD1 3.03Å |
| 306 | L | 87.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 178.7 | -169.6 | 138.4 | 0 | 0 | 0 | 110.2 | F302 V303 G304 F308 V309 Y310 F354 | F302-L306 HydrophobicContact CE1-CD1 3.85Å; F302-L306 HydrophobicContact CZ-CD1 4.34Å; F302-L306 WeakPolarHBondContact O-CB 3.29Å; F302-L306 PolarHBondContact O-N 3.32Å; V303-L306 PolarHBondContact O-N 2.9Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.47Å; L306-F308 VanDerWaalsContact C-N 3.29Å; L306-F308 PolarHBondContact O-N 3.35Å; L306-V309 PolarHBondContact O-N 2.87Å; L306-Y310 HydrophobicContact CD1-CE2 4.13Å; L306-Y310 HydrophobicContact CD2-CD2 3.54Å; L306-Y310 HydrophobicContact CD2-CE2 3.68Å; L306-Y310 HydrophobicContact CG-CD2 3.64Å; L306-Y310 HydrophobicContact CG-CE2 3.63Å; L306-Y310 WeakPolarHBondContact O-CB 3.33Å; L306-Y310 VanDerWaalsContact O-CD2 3.24Å; L306-Y310 WeakPolarHBondContact O-CD2 3.39Å; L306-Y310 PolarHBondContact O-N 3.4Å; L306-F354 HydrophobicContact CB-CD2 4.46Å; L306-F354 HydrophobicContact CB-CE2 4.15Å |
| 307 | L | 86.9 | Confident | 80 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 176 | -70.3 | 170.1 | 0 | 0 | 0 | 112.3 | L171 I174 M178 V303 G304 S311 | L171-L307 HydrophobicContact CD1-CD2 3.58Å; L171-L307 HydrophobicContact CD2-CD2 4.39Å; L171-L307 HydrophobicContact CG-CB 4.44Å; L171-L307 HydrophobicContact CG-CD2 3.98Å; I174-L307 HydrophobicContact CG2-CD1 4.36Å; M178-L307 HydrophobicContact CE-CD1 3.47Å; M178-L307 VanDerWaalsContact CE-CD1 3.47Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4.31Å; V303-L307 WeakPolarHBondContact O-CB 3.45Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.18Å; V303-L307 PolarHBondContact O-N 2.9Å; G304-L307 PolarHBondContact O-N 3.31Å; L307-S311 WeakPolarHBondContact O-CB 3.15Å; L307-S311 PolarHBondContact O-N 3.31Å |
| 308 | F | 86.5 | Confident | 78.4 | Confident | 28 Ų | 28 | 52 Ų | 52 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 178.1 | -173.3 | -105.4 | 0 | 0 | 0 | 112 | S172 L176 G304 S305 L306 Y310 S311 M312 V357 | S172-F308 WeakPolarHBondContact OG-CD2 3.47Å; S172-F308 WeakPolarHBondContact OG-CE2 3.18Å; L176-F308 HydrophobicContact CB-CD2 4.35Å; L176-F308 HydrophobicContact CB-CE2 4.49Å; L176-F308 HydrophobicContact CD1-CE2 4.34Å; G304-F308 WeakPolarHBondContact O-CB 3.37Å; G304-F308 PolarHBondContact O-N 3.43Å; S305-F308 PolarHBondContact O-N 2.86Å; L306-F308 VanDerWaalsContact C-N 3.29Å; L306-F308 PolarHBondContact O-N 3.35Å; F308-Y310 PolarHBondContact O-N 3.47Å; F308-S311 PolarHBondContact O-N 3.27Å; F308-S311 PolarHBondContact O-OG 2.95Å; F308-M312 HydrophobicContact CD1-CE 4.06Å; F308-M312 HydrophobicContact CD1-SD 4.4Å; F308-M312 HydrophobicContact CE1-CE 3.19Å; F308-M312 HydrophobicContact CE1-SD 3.97Å; F308-M312 HydrophobicContact CE2-CE 3.96Å; F308-M312 HydrophobicContact CZ-CE 3.14Å; F308-M312 HydrophobicContact CZ-SD 4.43Å; F308-M312 PolarHBondContact O-N 2.94Å; F308-V357 HydrophobicContact CD1-CG1 4.41Å; F308-V357 HydrophobicContact CD1-CG2 4.23Å; F308-V357 HydrophobicContact CE1-CG2 4.28Å |
| 309 | V | 85.2 | Confident | 77 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.9 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | S305 L306 S311 M312 R350 L353 F354 | S305-V309 WeakPolarHBondContact O-CB 3.45Å; S305-V309 WeakPolarHBondContact O-CG2 3.37Å; S305-V309 PolarHBondContact O-N 3.45Å; L306-V309 PolarHBondContact O-N 2.87Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.1Å; V309-M312 PolarHBondContact O-N 2.87Å; V309-R350 HydrophobicContact CG1-CB 3.82Å; V309-R350 HydrophobicContact CG1-CG 4.04Å; V309-R350 WeakPolarHBondContact CG1-O 3.4Å; V309-L353 HydrophobicContact CB-CD2 4.11Å; V309-L353 HydrophobicContact CG1-CD2 4.16Å; V309-L353 HydrophobicContact CG2-CD2 3.37Å; V309-F354 HydrophobicContact CG2-CB 3.87Å; V309-F354 HydrophobicContact CG2-CD2 4.34Å |
| 310 | Y | 83.7 | Confident | 75.3 | Confident | 132 Ų | 132 | 45.5 Ų | 45.5 | 52% | 0.518 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.3 | -24.7 | 178.3 | -88.6 | -79.6 | 0 | 0 | 0 | 113.1 | L306 F308 | L306-Y310 HydrophobicContact CD1-CE2 4.13Å; L306-Y310 HydrophobicContact CD2-CD2 3.54Å; L306-Y310 HydrophobicContact CD2-CE2 3.68Å; L306-Y310 HydrophobicContact CG-CD2 3.64Å; L306-Y310 HydrophobicContact CG-CE2 3.63Å; L306-Y310 WeakPolarHBondContact O-CB 3.33Å; L306-Y310 VanDerWaalsContact O-CD2 3.24Å; L306-Y310 WeakPolarHBondContact O-CD2 3.39Å; L306-Y310 PolarHBondContact O-N 3.4Å; F308-Y310 PolarHBondContact O-N 3.47Å |
| 311 | S | 80.8 | Confident | 73.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.5 | -29.6 | 174.5 | 74.7 | 0 | 0 | 0 | 0 | 113 | R168 S172 L307 F308 V309 | R168-S311 WeakPolarHBondContact O-CB 3.47Å; S172-S311 WeakPolarHBondContact CA-OG 3.22Å; S172-S311 WeakPolarHBondContact CB-OG 3.33Å; S172-S311 PolarHBondContact OG-OG 2.85Å; L307-S311 WeakPolarHBondContact O-CB 3.15Å; L307-S311 PolarHBondContact O-N 3.31Å; F308-S311 PolarHBondContact O-N 3.27Å; F308-S311 PolarHBondContact O-OG 2.95Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.1Å |
| 312 | M | 75.5 | Confident | 72.2 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -74.9 | 128.6 | 179.5 | -70.4 | -177.2 | 164.4 | 0 | 0 | 111.4 | I66 F308 V309 L314 L353 | I66-M312 HydrophobicContact CD1-CE 4.45Å; I66-M312 HydrophobicContact CG1-CG 4.09Å; F308-M312 HydrophobicContact CD1-CE 4.06Å; F308-M312 HydrophobicContact CD1-SD 4.4Å; F308-M312 HydrophobicContact CE1-CE 3.19Å; F308-M312 HydrophobicContact CE1-SD 3.97Å; F308-M312 HydrophobicContact CE2-CE 3.96Å; F308-M312 HydrophobicContact CZ-CE 3.14Å; F308-M312 HydrophobicContact CZ-SD 4.43Å; F308-M312 PolarHBondContact O-N 2.94Å; V309-M312 PolarHBondContact O-N 2.87Å; M312-L314 PolarHBondContact O-N 3.29Å; M312-L353 HydrophobicContact SD-CD1 4.17Å; M312-L353 HydrophobicContact SD-CD2 4.09Å |
| 313 | R | 67.3 | Low | 70.7 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | trans | -80.5 | 108.5 | 168.3 | -155.9 | 168.4 | -172 | 175.3 | -4.2 | 107.8 | N65 | N65-R313 VanDerWaalsContact CG-O 3.26Å; N65-R313 PolarHBondContact ND2-O 3.39Å; N65-R313 WeakPolarHBondContact O-CB 3.49Å; N65-R313 PolarHBondContact O-N 3.14Å; N65-R313 PolarHBondContact OD1-O 3.07Å | ||
| 314 | L | 64.1 | Low | 69.2 | Low | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | trans | -80 | 138.6 | 172.6 | -78.1 | 147 | 0 | 0 | 0 | 108.7 | M312 S316 F349 R350 L353 | M312-L314 PolarHBondContact O-N 3.29Å; L314-S316 PolarHBondContact O-N 3.44Å; L314-F349 HydrophobicContact CD2-CB 4.49Å; L314-R350 HydrophobicContact CD1-CB 4.2Å; L314-R350 HydrophobicContact CD1-CG 3.24Å; L314-L353 HydrophobicContact CD2-CD1 4Å | ||
| 315 | P | 58.7 | Low | 67.6 | Low | 23 Ų | 23 | 58.2 Ų | 58.2 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -59.6 | 134.3 | 170.8 | -10.6 | 22.7 | 0 | 0 | 0 | 108.5 | I136 F317 | I136-P315 HydrophobicContact CB-CB 4.43Å; I136-P315 HydrophobicContact CG2-CB 4.06Å; I136-P315 HydrophobicContact CG2-CG 4.13Å; P315-F317 VanDerWaalsContact C-N 3.27Å; P315-F317 HydrophobicContact CB-CD2 4.09Å; P315-F317 HydrophobicContact CB-CE2 3.69Å; P315-F317 HydrophobicContact CB-CZ 3.99Å; P315-F317 HydrophobicContact CG-CD2 4.41Å; P315-F317 HydrophobicContact CG-CE2 3.6Å; P315-F317 HydrophobicContact CG-CZ 3.92Å; P315-F317 WeakPolarHBondContact O-CD2 3.44Å; P315-F317 PolarHBondContact O-N 2.91Å | ||
| 316 | S | 58.2 | Low | 66.2 | Low | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -69.3 | 89.6 | 170.4 | 54.3 | 0 | 0 | 0 | 0 | 107.9 | L314 S318 | L314-S316 PolarHBondContact O-N 3.44Å; S316-S318 PolarHBondContact O-N 3.49Å | ||
| 317 | F | 55.5 | Low | 64.9 | Low | 111 Ų | 111 | 65.6 Ų | 65.6 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | trans | -75.5 | 111.6 | 171.9 | -72 | -76.8 | 0 | 0 | 0 | 108.5 | P315 L319 F349 | P315-F317 VanDerWaalsContact C-N 3.27Å; P315-F317 HydrophobicContact CB-CD2 4.09Å; P315-F317 HydrophobicContact CB-CE2 3.69Å; P315-F317 HydrophobicContact CB-CZ 3.99Å; P315-F317 HydrophobicContact CG-CD2 4.41Å; P315-F317 HydrophobicContact CG-CE2 3.6Å; P315-F317 HydrophobicContact CG-CZ 3.92Å; P315-F317 WeakPolarHBondContact O-CD2 3.44Å; P315-F317 PolarHBondContact O-N 2.91Å; F317-L319 PolarHBondContact O-N 2.95Å; F317-F349 HydrophobicContact CB-CE2 4.35Å | ||
| 318 | S | 53.3 | Low | 63.6 | Low | 82 Ų | 82 | 69.7 Ų | 69.7 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | trans | -67.7 | 113.4 | 160.5 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | S316 A320 N321 | S316-S318 PolarHBondContact O-N 3.49Å; S318-A320 PolarHBondContact O-N 2.89Å; S318-A320 VanDerWaalsContact O-N 3.08Å; S318-A320 WeakPolarHBondContact OG-CB 3.26Å; S318-A320 PolarHBondContact OG-N 3.38Å; S318-N321 PolarHBondContact O-N 3.11Å | ||
| 319 | L | 56.3 | Low | 62.4 | Low | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.131 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -63.8 | -8.3 | 175.9 | -95.9 | 110.8 | 0 | 0 | 0 | 113.3 | F317 N321 V322 L325 P345 | F317-L319 PolarHBondContact O-N 2.95Å; L319-N321 PolarHBondContact O-N 3.49Å; L319-V322 PolarHBondContact O-N 3.11Å; L319-L325 HydrophobicContact CD2-CD1 3.46Å; L319-L325 VanDerWaalsContact CD2-CD1 3.46Å; L319-L325 HydrophobicContact CD2-CD2 3.3Å; L319-L325 HydrophobicContact CD2-CG 3.88Å; L319-P345 HydrophobicContact CD1-CB 3.32Å; L319-P345 HydrophobicContact CD1-CG 4.35Å |
| 320 | A | 53.5 | Low | 61.5 | Low | 79 Ų | 79 | 83 Ų | 83 | 65% | 0.653 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -63.3 | -27.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S318 | S318-A320 PolarHBondContact O-N 2.89Å; S318-A320 VanDerWaalsContact O-N 3.08Å; S318-A320 WeakPolarHBondContact OG-CB 3.26Å; S318-A320 PolarHBondContact OG-N 3.38Å |
| 321 | N | 52.5 | Low | 60.7 | Low | 137 Ų | 137 | 85.9 Ų | 85.9 | 73% | 0.733 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -88.6 | 0.8 | -178.7 | -86.7 | 18.5 | 0 | 0 | 0 | 114.3 | S318 L319 D323 | S318-N321 PolarHBondContact O-N 3.11Å; L319-N321 PolarHBondContact O-N 3.49Å; N321-D323 PolarHBondContact O-N 3.21Å |
| 322 | V | 57.4 | Low | 59.8 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 34% | 0.339 | 47% | 0.472 | S | S | . | . | trans | -102.4 | 83.3 | -176.6 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | L319 S324 L325 | L319-V322 PolarHBondContact O-N 3.11Å; V322-S324 WeakPolarHBondContact CG1-OG 3.49Å; V322-S324 PolarHBondContact O-N 3.16Å; V322-L325 HydrophobicContact CG1-CB 4.42Å; V322-L325 WeakPolarHBondContact O-CB 3.22Å; V322-L325 PolarHBondContact O-N 3.08Å | ||
| 323 | D | 57.1 | Low | 59.2 | Low | 133 Ų | 133 | 94.2 Ų | 94.2 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -28.1 | 172.6 | -74.7 | -26.1 | 0 | 0 | 0 | 111.7 | N321 L325 T326 | N321-D323 PolarHBondContact O-N 3.21Å; D323-L325 PolarHBondContact O-N 2.95Å; D323-T326 PolarHBondContact O-N 2.84Å; D323-T326 PolarHBondContact O-OG1 3.5Å |
| 324 | S | 56.9 | Low | 59.2 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -16 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | V322 T326 L327 F328 | V322-S324 WeakPolarHBondContact CG1-OG 3.49Å; V322-S324 PolarHBondContact O-N 3.16Å; S324-T326 VanDerWaalsContact C-N 3.35Å; S324-L327 PolarHBondContact O-N 3.24Å; S324-F328 PolarHBondContact O-N 3.38Å |
| 325 | L | 54.5 | Low | 59.1 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 31% | 0.309 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.9 | -25.4 | 175.1 | -142.6 | 97.4 | 0 | 0 | 0 | 112.3 | L319 V322 D323 L327 F328 K329 F338 | L319-L325 HydrophobicContact CD2-CD1 3.46Å; L319-L325 VanDerWaalsContact CD2-CD1 3.46Å; L319-L325 HydrophobicContact CD2-CD2 3.3Å; L319-L325 HydrophobicContact CD2-CG 3.88Å; V322-L325 HydrophobicContact CG1-CB 4.42Å; V322-L325 WeakPolarHBondContact O-CB 3.22Å; V322-L325 PolarHBondContact O-N 3.08Å; D323-L325 PolarHBondContact O-N 2.95Å; L325-L327 VanDerWaalsContact C-N 3.27Å; L325-L327 PolarHBondContact O-N 2.85Å; L325-F328 PolarHBondContact O-N 3.31Å; L325-F328 VanDerWaalsContact O-N 3.16Å; L325-K329 PolarHBondContact O-N 2.81Å; L325-F338 HydrophobicContact CD2-CD1 4.24Å; L325-F338 HydrophobicContact CD2-CE1 4.16Å |
| 326 | T | 59.4 | Low | 59.5 | Low | 101 Ų | 101 | 102.3 Ų | 102.3 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -34.7 | 174.1 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | D323 S324 F328 K329 | D323-T326 PolarHBondContact O-N 2.84Å; D323-T326 PolarHBondContact O-OG1 3.5Å; S324-T326 VanDerWaalsContact C-N 3.35Å; T326-F328 VanDerWaalsContact C-N 3.34Å; T326-F328 PolarHBondContact O-N 2.99Å; T326-K329 VanDerWaalsContact O-CB 3.31Å; T326-K329 WeakPolarHBondContact O-CB 3.34Å; T326-K329 PolarHBondContact O-N 2.88Å |
| 327 | L | 59.5 | Low | 59.8 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -34.8 | 172.7 | -75.9 | 165.8 | 0 | 0 | 0 | 112.3 | S324 L325 K329 Q330 | S324-L327 PolarHBondContact O-N 3.24Å; L325-L327 VanDerWaalsContact C-N 3.27Å; L325-L327 PolarHBondContact O-N 2.85Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 3.01Å; L327-Q330 PolarHBondContact O-N 3.18Å |
| 328 | F | 60.1 | Low | 60.3 | Low | 122 Ų | 122 | 99.4 Ų | 99.4 | 54% | 0.535 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.2 | -24.3 | 179.2 | -134.5 | -89.6 | 0 | 0 | 0 | 112.9 | S324 L325 T326 Q330 Y331 L332 F338 | S324-F328 PolarHBondContact O-N 3.38Å; L325-F328 PolarHBondContact O-N 3.31Å; L325-F328 VanDerWaalsContact O-N 3.16Å; T326-F328 VanDerWaalsContact C-N 3.34Å; T326-F328 PolarHBondContact O-N 2.99Å; F328-Q330 PolarHBondContact O-N 3.41Å; F328-Y331 PolarHBondContact O-N 3.16Å; F328-L332 HydrophobicContact CD1-CD1 3.74Å; F328-L332 HydrophobicContact CD1-CG 4.43Å; F328-L332 HydrophobicContact CE1-CD1 3.74Å; F328-L332 HydrophobicContact CE1-CG 4.33Å; F328-F338 HydrophobicContact CD1-CZ 4.44Å |
| 329 | K | 61.1 | Low | 61 | Low | 148 Ų | 148 | 101.4 Ų | 101.4 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -25.7 | 176.1 | -157.8 | 175.8 | -177.4 | 177.9 | 0 | 112.5 | L325 T326 L327 | L325-K329 PolarHBondContact O-N 2.81Å; T326-K329 VanDerWaalsContact O-CB 3.31Å; T326-K329 WeakPolarHBondContact O-CB 3.34Å; T326-K329 PolarHBondContact O-N 2.88Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 3.01Å |
| 330 | Q | 66.7 | Low | 61.5 | Low | 165 Ų | 165 | 105.7 Ų | 105.7 | 77% | 0.771 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -17.7 | -179 | -162.1 | 168.3 | 1.2 | 0 | 0 | 113.7 | L327 F328 | L327-Q330 PolarHBondContact O-N 3.18Å; F328-Q330 PolarHBondContact O-N 3.41Å |
| 331 | Y | 66.3 | Low | 62 | Low | 191 Ų | 191 | 103.9 Ų | 103.9 | 75% | 0.749 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -10.5 | -174.1 | -80 | -83.5 | 0 | 0 | 0 | 114.9 | F328 | F328-Y331 PolarHBondContact O-N 3.16Š|
| 332 | L | 61.9 | Low | 62.8 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 45% | 0.45 | 55% | 0.546 | S | S | . | . | trans | -113.3 | 118.6 | -177.1 | -82.6 | 168 | 0 | 0 | 0 | 111 | F328 F334 F338 | F328-L332 HydrophobicContact CD1-CD1 3.74Å; F328-L332 HydrophobicContact CD1-CG 4.43Å; F328-L332 HydrophobicContact CE1-CD1 3.74Å; F328-L332 HydrophobicContact CE1-CG 4.33Å; L332-F334 PolarHBondContact O-N 3.5Å; L332-F334 VanDerWaalsContact O-N 3.07Å; L332-F338 HydrophobicContact CB-CE2 3.84Å; L332-F338 HydrophobicContact CB-CZ 4.36Å; L332-F338 HydrophobicContact CD1-CE2 3.84Å; L332-F338 HydrophobicContact CD1-CZ 3.69Å | ||
| 333 | P | 63.1 | Low | 63.6 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -74 | 5.3 | -176.4 | 28.9 | -34.3 | 0 | 0 | 0 | 114.7 | ||
| 334 | F | 66.5 | Low | 64.3 | Low | 148 Ų | 148 | 106 Ų | 106 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | trans | -112.7 | 89 | -177.7 | -87.8 | -88.1 | 0 | 0 | 0 | 111.1 | L332 G336 S337 | L332-F334 PolarHBondContact O-N 3.5Å; L332-F334 VanDerWaalsContact O-N 3.07Å; F334-G336 VanDerWaalsContact C-N 3.28Å; F334-G336 PolarHBondContact O-N 2.84Å; F334-S337 PolarHBondContact O-N 3.31Å | ||
| 335 | S | 62.3 | Low | 65 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 69% | 0.692 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -34.7 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | S337 F338 | S335-S337 VanDerWaalsContact C-N 3.34Å; S335-S337 PolarHBondContact O-N 2.92Å; S335-F338 PolarHBondContact O-N 3.34Å |
| 336 | G | 66.7 | Low | 65.9 | Low | 43 Ų | 43 | 104.8 Ų | 104.8 | 44% | 0.443 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -23 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | F334 | F334-G336 VanDerWaalsContact C-N 3.28Å; F334-G336 PolarHBondContact O-N 2.84Å |
| 337 | S | 64.6 | Low | 66.7 | Low | 70 Ų | 70 | 104.1 Ų | 104.1 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.8 | -27.7 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | F334 S335 I340 L341 | F334-S337 PolarHBondContact O-N 3.31Å; S335-S337 VanDerWaalsContact C-N 3.34Å; S335-S337 PolarHBondContact O-N 2.92Å; S337-I340 PolarHBondContact O-N 3.28Å; S337-L341 WeakPolarHBondContact O-CB 3.48Å; S337-L341 PolarHBondContact O-N 2.84Å |
| 338 | F | 66.3 | Low | 67.5 | Low | 31 Ų | 31 | 102.8 Ų | 102.8 | 14% | 0.136 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -71.2 | -35.3 | -179.7 | -83.2 | -80.4 | 0 | 0 | 0 | 113.1 | L325 F328 L332 S335 I340 L341 N342 | L325-F338 HydrophobicContact CD2-CD1 4.24Å; L325-F338 HydrophobicContact CD2-CE1 4.16Å; F328-F338 HydrophobicContact CD1-CZ 4.44Å; L332-F338 HydrophobicContact CB-CE2 3.84Å; L332-F338 HydrophobicContact CB-CZ 4.36Å; L332-F338 HydrophobicContact CD1-CE2 3.84Å; L332-F338 HydrophobicContact CD1-CZ 3.69Å; S335-F338 PolarHBondContact O-N 3.34Å; F338-I340 VanDerWaalsContact C-N 3.28Å; F338-I340 PolarHBondContact O-N 3.48Å; F338-L341 HydrophobicContact CD1-CD2 4.36Å; F338-L341 WeakPolarHBondContact O-CB 3.28Å; F338-L341 PolarHBondContact O-N 2.78Å; F338-N342 WeakPolarHBondContact O-CB 3.31Å; F338-N342 PolarHBondContact O-N 2.79Å |
| 339 | D | 67.7 | Low | 68.4 | Low | 125 Ų | 125 | 100.4 Ų | 100.4 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -35.7 | 178.3 | -68.7 | -21.5 | 0 | 0 | 0 | 111.3 | K343 | D339-K343 WeakPolarHBondContact O-CB 3.41Å; D339-K343 PolarHBondContact O-N 3.23Å |
| 340 | I | 67.4 | Low | 69.4 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 59% | 0.59 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70 | -41.3 | 173.4 | -57.6 | 173.2 | 0 | 0 | 0 | 110.5 | S337 F338 N342 K343 Y344 | S337-I340 PolarHBondContact O-N 3.28Å; F338-I340 VanDerWaalsContact C-N 3.28Å; F338-I340 PolarHBondContact O-N 3.48Å; I340-N342 VanDerWaalsContact C-N 3.35Å; I340-N342 PolarHBondContact O-N 3.42Å; I340-K343 PolarHBondContact O-N 3.41Å; I340-Y344 PolarHBondContact O-N 3.26Å |
| 341 | L | 64.6 | Low | 70.1 | Confident | 41 Ų | 41 | 94.8 Ų | 94.8 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 179.2 | -159.9 | 74.4 | 0 | 0 | 0 | 112 | S337 F338 K343 Y344 F348 | S337-L341 WeakPolarHBondContact O-CB 3.48Å; S337-L341 PolarHBondContact O-N 2.84Å; F338-L341 HydrophobicContact CD1-CD2 4.36Å; F338-L341 WeakPolarHBondContact O-CB 3.28Å; F338-L341 PolarHBondContact O-N 2.78Å; L341-K343 VanDerWaalsContact C-N 3.28Å; L341-K343 PolarHBondContact O-N 3.12Å; L341-Y344 CarbonylContact O-C 3.58Å; L341-Y344 PolarHBondContact O-N 3.05Å; L341-F348 HydrophobicContact CD1-CB 3.74Å; L341-F348 HydrophobicContact CD1-CD1 3.67Å; L341-F348 HydrophobicContact CD1-CD2 3.19Å; L341-F348 HydrophobicContact CD1-CE1 4.01Å; L341-F348 HydrophobicContact CD1-CE2 3.56Å; L341-F348 HydrophobicContact CD1-CG 3.23Å; L341-F348 HydrophobicContact CD1-CZ 3.95Å; L341-F348 HydrophobicContact CG-CD1 4.44Å; L341-F348 HydrophobicContact CG-CG 4.32Å |
| 342 | N | 67.8 | Low | 70.9 | Confident | 102 Ų | 102 | 89.5 Ų | 89.5 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.2 | -26.9 | 179.2 | -156.4 | 25.9 | 0 | 0 | 0 | 111.8 | F338 I340 | F338-N342 WeakPolarHBondContact O-CB 3.31Å; F338-N342 PolarHBondContact O-N 2.79Å; I340-N342 VanDerWaalsContact C-N 3.35Å; I340-N342 PolarHBondContact O-N 3.42Å |
| 343 | K | 75 | Confident | 71.9 | Confident | 144 Ų | 144 | 87.4 Ų | 87.4 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -74.4 | -29.2 | 176.6 | -166.5 | 173.3 | -179.9 | -178.7 | 0 | 113.3 | D339 I340 L341 | D339-K343 WeakPolarHBondContact O-CB 3.41Å; D339-K343 PolarHBondContact O-N 3.23Å; I340-K343 PolarHBondContact O-N 3.41Å; L341-K343 VanDerWaalsContact C-N 3.28Å; L341-K343 PolarHBondContact O-N 3.12Å |
| 344 | Y | 71.8 | Confident | 73 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 49% | 0.486 | 43% | 0.425 | S | S | . | . | trans | -136.1 | 61.1 | -176 | -58.7 | -74.5 | 0 | 0 | 0 | 113 | I340 L341 E346 T347 F348 | I340-Y344 PolarHBondContact O-N 3.26Å; L341-Y344 CarbonylContact O-C 3.58Å; L341-Y344 PolarHBondContact O-N 3.05Å; Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 3.05Å; Y344-T347 PolarHBondContact O-N 3.18Å; Y344-F348 PolarHBondContact O-N 3.47Å | ||
| 345 | P | 72.2 | Confident | 74 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | -175.7 | 27.6 | -36.2 | 0 | 0 | 0 | 112 | L319 T347 F348 F349 | L319-P345 HydrophobicContact CD1-CB 3.32Å; L319-P345 HydrophobicContact CD1-CG 4.35Å; P345-T347 VanDerWaalsContact C-N 3.35Å; P345-T347 PolarHBondContact O-N 3.21Å; P345-F348 PolarHBondContact O-N 2.9Å; P345-F349 WeakPolarHBondContact O-CD2 3.14Å; P345-F349 PolarHBondContact O-N 2.86Å |
| 346 | E | 72.7 | Confident | 75.1 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.5 | -64 | -168.1 | 178.9 | 0 | 0 | 112.6 | Y344 F348 F349 R350 | Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 3.05Å; E346-F348 VanDerWaalsContact C-N 3.33Å; E346-F349 PolarHBondContact O-N 3Å; E346-R350 WeakPolarHBondContact O-CB 3.38Å; E346-R350 VanDerWaalsContact O-CG 3.24Å; E346-R350 WeakPolarHBondContact O-CG 3.07Å; E346-R350 PolarHBondContact O-N 3Å |
| 347 | T | 76.4 | Confident | 76 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 179.6 | -47.7 | 0 | 0 | 0 | 0 | 110.8 | Y344 P345 R350 F351 | Y344-T347 PolarHBondContact O-N 3.18Å; P345-T347 VanDerWaalsContact C-N 3.35Å; P345-T347 PolarHBondContact O-N 3.21Å; T347-R350 PolarHBondContact O-N 3.24Å; T347-F351 WeakPolarHBondContact O-CB 3.01Å; T347-F351 PolarHBondContact O-N 3.48Å |
| 348 | F | 77 | Confident | 77 | Confident | 87 Ų | 87 | 75 Ų | 75 | 38% | 0.382 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.8 | -178.6 | -103.6 | 0 | 0 | 0 | 112.3 | L341 Y344 P345 E346 R350 F351 L352 | L341-F348 HydrophobicContact CD1-CB 3.74Å; L341-F348 HydrophobicContact CD1-CD1 3.67Å; L341-F348 HydrophobicContact CD1-CD2 3.19Å; L341-F348 HydrophobicContact CD1-CE1 4.01Å; L341-F348 HydrophobicContact CD1-CE2 3.56Å; L341-F348 HydrophobicContact CD1-CG 3.23Å; L341-F348 HydrophobicContact CD1-CZ 3.95Å; L341-F348 HydrophobicContact CG-CD1 4.44Å; L341-F348 HydrophobicContact CG-CG 4.32Å; Y344-F348 PolarHBondContact O-N 3.47Å; P345-F348 PolarHBondContact O-N 2.9Å; E346-F348 VanDerWaalsContact C-N 3.33Å; F348-R350 VanDerWaalsContact C-N 3.3Å; F348-R350 PolarHBondContact O-N 2.92Å; F348-F351 WeakPolarHBondContact O-CB 3.42Å; F348-F351 PolarHBondContact O-N 3.17Å; F348-F351 VanDerWaalsContact O-N 3.11Å; F348-L352 PolarHBondContact O-N 3.05Å |
| 349 | F | 78 | Confident | 77.9 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 32% | 0.32 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.4 | -82.7 | -69.1 | 0 | 0 | 0 | 112 | L314 F317 P345 E346 L352 L353 | L314-F349 HydrophobicContact CD2-CB 4.49Å; F317-F349 HydrophobicContact CB-CE2 4.35Å; P345-F349 WeakPolarHBondContact O-CD2 3.14Å; P345-F349 PolarHBondContact O-N 2.86Å; E346-F349 PolarHBondContact O-N 3Å; F349-L352 PolarHBondContact O-N 2.97Å; F349-L353 VanDerWaalsContact O-CB 3.28Å; F349-L353 WeakPolarHBondContact O-CB 3.31Å; F349-L353 PolarHBondContact O-N 2.8Å |
| 350 | R | 81.7 | Confident | 78.8 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 25% | 0.245 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 171.9 | -74.4 | 174.9 | -166.4 | -136.9 | 7.7 | 111.6 | V309 L314 E346 T347 F348 L353 F354 | V309-R350 HydrophobicContact CG1-CB 3.82Å; V309-R350 HydrophobicContact CG1-CG 4.04Å; V309-R350 WeakPolarHBondContact CG1-O 3.4Å; L314-R350 HydrophobicContact CD1-CB 4.2Å; L314-R350 HydrophobicContact CD1-CG 3.24Å; E346-R350 WeakPolarHBondContact O-CB 3.38Å; E346-R350 VanDerWaalsContact O-CG 3.24Å; E346-R350 WeakPolarHBondContact O-CG 3.07Å; E346-R350 PolarHBondContact O-N 3Å; T347-R350 PolarHBondContact O-N 3.24Å; F348-R350 VanDerWaalsContact C-N 3.3Å; F348-R350 PolarHBondContact O-N 2.92Å; R350-L353 PolarHBondContact O-N 2.99Å; R350-F354 VanDerWaalsContact O-CB 3.26Å; R350-F354 WeakPolarHBondContact O-CB 3.49Å; R350-F354 PolarHBondContact O-N 3.09Å |
| 351 | F | 81.4 | Confident | 79.5 | Confident | 129 Ų | 129 | 74.9 Ų | 74.9 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 177.3 | -178.6 | -97.8 | 0 | 0 | 0 | 112 | T347 F348 F354 V355 | T347-F351 WeakPolarHBondContact O-CB 3.01Å; T347-F351 PolarHBondContact O-N 3.48Å; F348-F351 WeakPolarHBondContact O-CB 3.42Å; F348-F351 PolarHBondContact O-N 3.17Å; F348-F351 VanDerWaalsContact O-N 3.11Å; F351-F354 WeakPolarHBondContact O-CB 3.05Å; F351-F354 PolarHBondContact O-N 2.84Å; F351-V355 HydrophobicContact CD1-CG2 4.32Å; F351-V355 HydrophobicContact CE1-CG2 3.89Å; F351-V355 HydrophobicContact CE2-CG2 4.49Å; F351-V355 HydrophobicContact CZ-CG2 3.99Å; F351-V355 WeakPolarHBondContact O-CG2 3.24Å; F351-V355 PolarHBondContact O-N 2.77Å |
| 352 | L | 83.6 | Confident | 80.4 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 42% | 0.419 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.2 | -173 | 69.5 | 0 | 0 | 0 | 111 | F348 F349 F354 V355 C356 | F348-L352 PolarHBondContact O-N 3.05Å; F349-L352 PolarHBondContact O-N 2.97Å; L352-F354 VanDerWaalsContact C-N 3.29Å; L352-F354 PolarHBondContact O-N 2.04Å; L352-V355 PolarHBondContact O-N 3.33Å; L352-C356 WeakPolarHBondContact O-CB 3.33Å; L352-C356 PolarHBondContact O-N 2.88Å; L352-C356 PolarHBondContact O-SG 2.79Å |
| 353 | L | 83.5 | Confident | 81.2 | Confident | 42 Ų | 42 | 78 Ų | 78 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.4 | -165.4 | 149.1 | 0 | 0 | 0 | 110.9 | V309 M312 L314 F349 R350 V355 C356 V357 | V309-L353 HydrophobicContact CB-CD2 4.11Å; V309-L353 HydrophobicContact CG1-CD2 4.16Å; V309-L353 HydrophobicContact CG2-CD2 3.37Å; M312-L353 HydrophobicContact SD-CD1 4.17Å; M312-L353 HydrophobicContact SD-CD2 4.09Å; L314-L353 HydrophobicContact CD2-CD1 4Å; F349-L353 VanDerWaalsContact O-CB 3.28Å; F349-L353 WeakPolarHBondContact O-CB 3.31Å; F349-L353 PolarHBondContact O-N 2.8Å; R350-L353 PolarHBondContact O-N 2.99Å; L353-V355 PolarHBondContact O-N 3.27Å; L353-C356 PolarHBondContact O-N 3.43Å; L353-V357 HydrophobicContact CD2-CG2 3.71Å; L353-V357 HydrophobicContact CG-CG2 4.49Å; L353-V357 WeakPolarHBondContact O-CB 3.41Å; L353-V357 VanDerWaalsContact O-CG2 3.26Å; L353-V357 WeakPolarHBondContact O-CG2 3.33Å; L353-V357 PolarHBondContact O-N 2.84Å |
| 354 | F | 86.3 | Confident | 81.6 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.5 | 174.1 | -89.1 | 0 | 0 | 0 | 112.1 | F302 S305 L306 V309 R350 F351 L352 N358 | F302-F354 HydrophobicContact CD2-CE1 4.03Å; F302-F354 HydrophobicContact CD2-CE2 4.22Å; F302-F354 AromaticContact CD2-CZ 3.32Å; F302-F354 HydrophobicContact CD2-CZ 3.32Å; F302-F354 AromaticContact CE2-CE1 3.82Å; F302-F354 HydrophobicContact CE2-CE1 3.82Å; F302-F354 HydrophobicContact CE2-CE2 4.27Å; F302-F354 AromaticContact CE2-CZ 3.4Å; F302-F354 HydrophobicContact CE2-CZ 3.4Å; F302-F354 HydrophobicContact CG-CE2 4.47Å; F302-F354 AromaticContact CG-CZ 3.95Å; F302-F354 HydrophobicContact CG-CZ 3.95Å; F302-F354 HydrophobicContact CZ-CZ 4.12Å; F302-F354 WeakPolarHBondContact O-CE2 3.47Å; S305-F354 VanDerWaalsContact CB-CE2 3.41Å; L306-F354 HydrophobicContact CB-CD2 4.46Å; L306-F354 HydrophobicContact CB-CE2 4.15Å; V309-F354 HydrophobicContact CG2-CB 3.87Å; V309-F354 HydrophobicContact CG2-CD2 4.34Å; R350-F354 VanDerWaalsContact O-CB 3.26Å; R350-F354 WeakPolarHBondContact O-CB 3.49Å; R350-F354 PolarHBondContact O-N 3.09Å; F351-F354 WeakPolarHBondContact O-CB 3.05Å; F351-F354 PolarHBondContact O-N 2.84Å; L352-F354 VanDerWaalsContact C-N 3.29Å; L352-F354 PolarHBondContact O-N 2.04Å; F354-N358 WeakPolarHBondContact CE1-ND2 3.46Å; F354-N358 VanDerWaalsContact CZ-ND2 3.31Å; F354-N358 WeakPolarHBondContact CZ-ND2 3.36Å; F354-N358 PolarHBondContact O-N 3.04Å; F354-N358 PolarHBondContact O-ND2 3Å |
| 355 | V | 86.2 | Confident | 82 | Confident | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | F351 L352 L353 V357 N358 F359 | F351-V355 HydrophobicContact CD1-CG2 4.32Å; F351-V355 HydrophobicContact CE1-CG2 3.89Å; F351-V355 HydrophobicContact CE2-CG2 4.49Å; F351-V355 HydrophobicContact CZ-CG2 3.99Å; F351-V355 WeakPolarHBondContact O-CG2 3.24Å; F351-V355 PolarHBondContact O-N 2.77Å; L352-V355 PolarHBondContact O-N 3.33Å; L353-V355 PolarHBondContact O-N 3.27Å; V355-V357 PolarHBondContact O-N 3.49Å; V355-N358 PolarHBondContact O-N 3.05Å; V355-F359 WeakPolarHBondContact O-CB 3.46Å; V355-F359 PolarHBondContact O-N 2.88Å |
| 356 | C | 86.6 | Confident | 82.3 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 178 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | L352 L353 N358 F359 L360 | L352-C356 WeakPolarHBondContact O-CB 3.33Å; L352-C356 PolarHBondContact O-N 2.88Å; L352-C356 PolarHBondContact O-SG 2.79Å; L353-C356 PolarHBondContact O-N 3.43Å; C356-N358 PolarHBondContact O-N 2.95Å; C356-F359 PolarHBondContact O-N 2.86Å; C356-L360 VanDerWaalsContact O-CB 3.32Å; C356-L360 WeakPolarHBondContact O-CB 3.06Å; C356-L360 VanDerWaalsContact O-CG 3.27Å; C356-L360 WeakPolarHBondContact O-CG 2.93Å; C356-L360 PolarHBondContact O-N 3.29Å |
| 357 | V | 85.8 | Confident | 82.5 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.6 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L179 F308 L353 V355 F359 F361 | L179-V357 HydrophobicContact CD1-CG1 3.96Å; F308-V357 HydrophobicContact CD1-CG1 4.41Å; F308-V357 HydrophobicContact CD1-CG2 4.23Å; F308-V357 HydrophobicContact CE1-CG2 4.28Å; L353-V357 HydrophobicContact CD2-CG2 3.71Å; L353-V357 HydrophobicContact CG-CG2 4.49Å; L353-V357 WeakPolarHBondContact O-CB 3.41Å; L353-V357 VanDerWaalsContact O-CG2 3.26Å; L353-V357 WeakPolarHBondContact O-CG2 3.33Å; L353-V357 PolarHBondContact O-N 2.84Å; V355-V357 PolarHBondContact O-N 3.49Å; V357-F359 VanDerWaalsContact C-N 3.33Å; V357-F359 PolarHBondContact O-N 3.45Å; V357-F361 VanDerWaalsContact O-CB 3.25Å; V357-F361 WeakPolarHBondContact O-CB 3.28Å; V357-F361 PolarHBondContact O-N 3.25Å |
| 358 | N | 84.9 | Confident | 82.5 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.4 | -80.9 | -79.8 | 0 | 0 | 0 | 112.2 | S305 F354 V355 C356 K362 | S305-N358 VanDerWaalsContact CB-ND2 3.33Å; S305-N358 WeakPolarHBondContact CB-ND2 3.45Å; S305-N358 VanDerWaalsContact OG-CG 3.32Å; S305-N358 PolarHBondContact OG-ND2 3.08Å; S305-N358 PolarHBondContact OG-OD1 3.03Å; F354-N358 WeakPolarHBondContact CE1-ND2 3.46Å; F354-N358 VanDerWaalsContact CZ-ND2 3.31Å; F354-N358 WeakPolarHBondContact CZ-ND2 3.36Å; F354-N358 PolarHBondContact O-N 3.04Å; F354-N358 PolarHBondContact O-ND2 3Å; V355-N358 PolarHBondContact O-N 3.05Å; C356-N358 PolarHBondContact O-N 2.95Å; N358-K362 WeakPolarHBondContact O-CB 3.31Å; N358-K362 PolarHBondContact O-N 3.13Å |
| 359 | F | 85.8 | Confident | 82.3 | Confident | 129 Ų | 129 | 78.8 Ų | 78.8 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.7 | -47.2 | 179.3 | -172.7 | -104.5 | 0 | 0 | 0 | 112.1 | V355 C356 V357 F361 K362 I363 | V355-F359 WeakPolarHBondContact O-CB 3.46Å; V355-F359 PolarHBondContact O-N 2.88Å; C356-F359 PolarHBondContact O-N 2.86Å; V357-F359 VanDerWaalsContact C-N 3.33Å; V357-F359 PolarHBondContact O-N 3.45Å; F359-F361 VanDerWaalsContact C-N 3.32Å; F359-F361 PolarHBondContact O-N 3.17Å; F359-K362 WeakPolarHBondContact O-CB 3.33Å; F359-K362 PolarHBondContact O-N 3.07Å; F359-I363 HydrophobicContact CD1-CD1 3.58Å; F359-I363 HydrophobicContact CD1-CG1 4.43Å; F359-I363 HydrophobicContact CE1-CD1 3.24Å; F359-I363 HydrophobicContact CE1-CG1 4.2Å; F359-I363 HydrophobicContact CG-CD1 4.46Å; F359-I363 HydrophobicContact CZ-CD1 3.86Å; F359-I363 HydrophobicContact CZ-CG1 4.44Å; F359-I363 WeakPolarHBondContact O-CG1 3.31Å; F359-I363 PolarHBondContact O-N 3.42Å |
| 360 | L | 85.9 | Confident | 81.6 | Confident | 105 Ų | 105 | 83.1 Ų | 83.1 | 55% | 0.55 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 174.7 | -75.1 | 172.5 | 0 | 0 | 0 | 110.8 | C356 K362 I363 V364 | C356-L360 VanDerWaalsContact O-CB 3.32Å; C356-L360 WeakPolarHBondContact O-CB 3.06Å; C356-L360 VanDerWaalsContact O-CG 3.27Å; C356-L360 WeakPolarHBondContact O-CG 2.93Å; C356-L360 PolarHBondContact O-N 3.29Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.32Å; L360-I363 WeakPolarHBondContact O-CB 3.48Å; L360-I363 PolarHBondContact O-N 3.17Å; L360-I363 VanDerWaalsContact O-N 3.15Å; L360-V364 VanDerWaalsContact O-CG2 3.28Å; L360-V364 WeakPolarHBondContact O-CG2 3.33Å; L360-V364 PolarHBondContact O-N 2.81Å |
| 361 | F | 82.5 | Confident | 80.7 | Confident | 35 Ų | 35 | 84.9 Ų | 84.9 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.1 | -165.2 | -100 | 0 | 0 | 0 | 111.9 | L179 I180 V357 F359 V364 Q365 | L179-F361 VanDerWaalsContact C-CZ 3.43Å; L179-F361 HydrophobicContact CB-CD2 4.43Å; L179-F361 HydrophobicContact CB-CE2 4.26Å; L179-F361 HydrophobicContact CB-CZ 4.4Å; L179-F361 WeakPolarHBondContact O-CE1 3.13Å; L179-F361 WeakPolarHBondContact O-CZ 3.24Å; I180-F361 HydrophobicContact CG1-CE2 4.21Å; V357-F361 VanDerWaalsContact O-CB 3.25Å; V357-F361 WeakPolarHBondContact O-CB 3.28Å; V357-F361 PolarHBondContact O-N 3.25Å; F359-F361 VanDerWaalsContact C-N 3.32Å; F359-F361 PolarHBondContact O-N 3.17Å; F361-V364 PolarHBondContact O-N 2.88Å; F361-Q365 HydrophobicContact CD1-CG 4.08Å; F361-Q365 HydrophobicContact CE1-CG 3.72Å; F361-Q365 HydrophobicContact CZ-CG 4.03Å; F361-Q365 WeakPolarHBondContact O-CB 3.34Å; F361-Q365 WeakPolarHBondContact O-CG 3.46Å; F361-Q365 PolarHBondContact O-N 3.29Å |
| 362 | K | 84.1 | Confident | 79.6 | Confident | 139 Ų | 139 | 83.3 Ų | 83.3 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 172.9 | -172.6 | 179.9 | 179.8 | -177.3 | 0 | 112.2 | N358 F359 L360 S366 | N358-K362 WeakPolarHBondContact O-CB 3.31Å; N358-K362 PolarHBondContact O-N 3.13Å; F359-K362 WeakPolarHBondContact O-CB 3.33Å; F359-K362 PolarHBondContact O-N 3.07Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.32Å; K362-S366 WeakPolarHBondContact O-CB 3.34Å; K362-S366 PolarHBondContact O-N 2.77Å |
| 363 | I | 84.1 | Confident | 78 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 36% | 0.359 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 175.1 | -70.4 | 168 | 0 | 0 | 0 | 110.5 | F359 L360 Q365 S366 N367 | F359-I363 HydrophobicContact CD1-CD1 3.58Å; F359-I363 HydrophobicContact CD1-CG1 4.43Å; F359-I363 HydrophobicContact CE1-CD1 3.24Å; F359-I363 HydrophobicContact CE1-CG1 4.2Å; F359-I363 HydrophobicContact CG-CD1 4.46Å; F359-I363 HydrophobicContact CZ-CD1 3.86Å; F359-I363 HydrophobicContact CZ-CG1 4.44Å; F359-I363 WeakPolarHBondContact O-CG1 3.31Å; F359-I363 PolarHBondContact O-N 3.42Å; L360-I363 WeakPolarHBondContact O-CB 3.48Å; L360-I363 PolarHBondContact O-N 3.17Å; L360-I363 VanDerWaalsContact O-N 3.15Å; I363-Q365 VanDerWaalsContact C-N 3.32Å; I363-Q365 PolarHBondContact O-N 2.84Å; I363-S366 WeakPolarHBondContact O-CB 3.38Å; I363-S366 PolarHBondContact O-N 2.84Å; I363-S366 VanDerWaalsContact O-N 3.14Å; I363-N367 PolarHBondContact O-N 2.79Å; I363-N367 PolarHBondContact O-ND2 2.89Å |
| 364 | V | 83.2 | Confident | 76.4 | Confident | 67 Ų | 67 | 94.7 Ų | 94.7 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.9 | -48.2 | -179.5 | 170 | 0 | 0 | 0 | 0 | 110.3 | L360 F361 S366 N367 F368 | L360-V364 VanDerWaalsContact O-CG2 3.28Å; L360-V364 WeakPolarHBondContact O-CG2 3.33Å; L360-V364 PolarHBondContact O-N 2.81Å; F361-V364 PolarHBondContact O-N 2.88Å; V364-S366 PolarHBondContact O-N 2.78Å; V364-N367 PolarHBondContact O-N 3.5Å; V364-F368 HydrophobicContact CG1-CD2 3.68Å; V364-F368 HydrophobicContact CG1-CE2 3.62Å; V364-F368 VanDerWaalsContact O-CD2 3.25Å; V364-F368 WeakPolarHBondContact O-CD2 3.48Å; V364-F368 PolarHBondContact O-N 3.16Å |
| 365 | Q | 79.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 98.2 Ų | 98.2 | 15% | 0.15 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.9 | -74.4 | -169.4 | -34.3 | 0 | 0 | 113.8 | E183 F361 I363 N367 F368 K369 | E183-Q365 VanDerWaalsContact OE1-CD 3.22Å; E183-Q365 PolarHBondContact OE1-NE2 3.22Å; E183-Q365 PolarHBondContact OE1-OE1 2.77Å; E183-Q365 VanDerWaalsContact OE1-OE1 3.12Å; F361-Q365 HydrophobicContact CD1-CG 4.08Å; F361-Q365 HydrophobicContact CE1-CG 3.72Å; F361-Q365 HydrophobicContact CZ-CG 4.03Å; F361-Q365 WeakPolarHBondContact O-CB 3.34Å; F361-Q365 WeakPolarHBondContact O-CG 3.46Å; F361-Q365 PolarHBondContact O-N 3.29Å; I363-Q365 VanDerWaalsContact C-N 3.32Å; I363-Q365 PolarHBondContact O-N 2.84Å; Q365-N367 VanDerWaalsContact C-N 3.27Å; Q365-N367 PolarHBondContact O-N 3.24Å; Q365-F368 PolarHBondContact O-N 3.09Å; Q365-K369 WeakPolarHBondContact O-CB 3.16Å; Q365-K369 PolarHBondContact O-N 2.94Å |
| 366 | S | 78.6 | Confident | 73 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | K362 I363 V364 F368 K369 Y370 | K362-S366 WeakPolarHBondContact O-CB 3.34Å; K362-S366 PolarHBondContact O-N 2.77Å; I363-S366 WeakPolarHBondContact O-CB 3.38Å; I363-S366 PolarHBondContact O-N 2.84Å; I363-S366 VanDerWaalsContact O-N 3.14Å; V364-S366 PolarHBondContact O-N 2.78Å; S366-F368 PolarHBondContact O-N 2.88Å; S366-K369 PolarHBondContact O-N 3.2Å; S366-Y370 VanDerWaalsContact O-CD2 3.26Å; S366-Y370 WeakPolarHBondContact O-CD2 3.38Å; S366-Y370 PolarHBondContact O-N 3.02Å; S366-Y370 VanDerWaalsContact O-N 3.08Å |
| 367 | N | 77.9 | Confident | 71.5 | Confident | 101 Ų | 101 | 111.8 Ų | 111.8 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 178.7 | -67.9 | -26.2 | 0 | 0 | 0 | 112.5 | I363 V364 Q365 K369 Y370 S371 | I363-N367 PolarHBondContact O-N 2.79Å; I363-N367 PolarHBondContact O-ND2 2.89Å; V364-N367 PolarHBondContact O-N 3.5Å; Q365-N367 VanDerWaalsContact C-N 3.27Å; Q365-N367 PolarHBondContact O-N 3.24Å; N367-K369 PolarHBondContact O-N 3.14Å; N367-Y370 PolarHBondContact O-N 3.03Å; N367-S371 PolarHBondContact O-N 2.73Å; N367-S371 VanDerWaalsContact O-N 3.13Å |
| 368 | F | 76.9 | Confident | 69.9 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.9 | -38.5 | 175.6 | -85.8 | -70.4 | 0 | 0 | 0 | 113 | V364 Q365 S366 Y370 S371 S372 | V364-F368 HydrophobicContact CG1-CD2 3.68Å; V364-F368 HydrophobicContact CG1-CE2 3.62Å; V364-F368 VanDerWaalsContact O-CD2 3.25Å; V364-F368 WeakPolarHBondContact O-CD2 3.48Å; V364-F368 PolarHBondContact O-N 3.16Å; Q365-F368 PolarHBondContact O-N 3.09Å; S366-F368 PolarHBondContact O-N 2.88Å; F368-Y370 VanDerWaalsContact C-N 3.32Å; F368-Y370 PolarHBondContact O-N 3.04Å; F368-S371 PolarHBondContact O-N 3.1Å; F368-S371 VanDerWaalsContact O-N 3.17Å; F368-S372 PolarHBondContact O-N 2.97Å; F368-S372 VanDerWaalsContact O-N 3.15Å |
| 369 | K | 72.3 | Confident | 68.3 | Low | 165 Ų | 165 | 119.6 Ų | 119.6 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.6 | -32.3 | 178.9 | -166.1 | 170.8 | -175.6 | 173.8 | 0 | 112.3 | Q365 S366 N367 | Q365-K369 WeakPolarHBondContact O-CB 3.16Å; Q365-K369 PolarHBondContact O-N 2.94Å; S366-K369 PolarHBondContact O-N 3.2Å; N367-K369 PolarHBondContact O-N 3.14Å |
| 370 | Y | 63.4 | Low | 66.8 | Low | 163 Ų | 163 | 122.1 Ų | 122.1 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.6 | -35.3 | 170.9 | -87.5 | -77.1 | 0 | 0 | 0 | 112.3 | S366 N367 F368 S372 | S366-Y370 VanDerWaalsContact O-CD2 3.26Å; S366-Y370 WeakPolarHBondContact O-CD2 3.38Å; S366-Y370 PolarHBondContact O-N 3.02Å; S366-Y370 VanDerWaalsContact O-N 3.08Å; N367-Y370 PolarHBondContact O-N 3.03Å; F368-Y370 VanDerWaalsContact C-N 3.32Å; F368-Y370 PolarHBondContact O-N 3.04Å; Y370-S372 VanDerWaalsContact C-N 3.34Å; Y370-S372 PolarHBondContact O-N 2.83Å |
| 371 | S | 62.1 | Low | 65.3 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -24.2 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 114.1 | N367 F368 | N367-S371 PolarHBondContact O-N 2.73Å; N367-S371 VanDerWaalsContact O-N 3.13Å; F368-S371 PolarHBondContact O-N 3.1Å; F368-S371 VanDerWaalsContact O-N 3.17Å |
| 372 | S | 58.7 | Low | 64 | Low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 9.5 | -178.7 | -164 | 0 | 0 | 0 | 0 | 113.8 | F368 Y370 E374 | F368-S372 PolarHBondContact O-N 2.97Å; F368-S372 VanDerWaalsContact O-N 3.15Å; Y370-S372 VanDerWaalsContact C-N 3.34Å; Y370-S372 PolarHBondContact O-N 2.83Å; S372-E374 VanDerWaalsContact C-N 3.28Å; S372-E374 PolarHBondContact O-N 2.84Å |
| 373 | R | 50.5 | Low | 62.5 | Low | 197 Ų | 197 | 128.2 Ų | 128.2 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -67.9 | 97.6 | 164.8 | -94.8 | -176.9 | 173.4 | 169.7 | -0.2 | 107.4 | ||||
| 374 | E | 50 | Low | 61 | Low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | trans | -40.2 | 139.3 | 170.2 | -71.1 | -172.6 | 159.5 | 0 | 0 | 109.9 | S372 K376 | S372-E374 VanDerWaalsContact C-N 3.28Å; S372-E374 PolarHBondContact O-N 2.84Å; E374-K376 PolarHBondContact O-N 2.96Å | ||
| 375 | P | 51 | Low | 59.5 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -52.9 | 121.8 | 170.8 | 24.2 | -31.6 | 0 | 0 | 0 | 106.2 | Y377 | P375-Y377 VanDerWaalsContact C-N 3.28Å; P375-Y377 PolarHBondContact O-N 3.06Å | ||
| 376 | K | 49.7 | Very low | 58 | Low | 199 Ų | 199 | 141.9 Ų | 141.9 | 87% | 0.865 | 72% | 0.715 | S | S | * | * | trans | -51 | 105.5 | 167.3 | -78.1 | -179.7 | 176.9 | 179.8 | 0 | 105.3 | E374 T378 | E374-K376 PolarHBondContact O-N 2.96Å; K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 2.85Å | ||
| 377 | Y | 54.2 | Low | 56.6 | Low | 213 Ų | 213 | 148.9 Ų | 148.9 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -53.9 | 108 | 166.2 | -96.9 | -91.4 | 0 | 0 | 0 | 104.7 | P375 S379 | P375-Y377 VanDerWaalsContact C-N 3.28Å; P375-Y377 PolarHBondContact O-N 3.06Å; Y377-S379 PolarHBondContact O-N 2.87Å | ||
| 378 | T | 51.7 | Low | 55.3 | Low | 120 Ų | 120 | 153.5 Ų | 153.5 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -44.5 | 115.1 | 162 | 35.4 | 0 | 0 | 0 | 0 | 105.6 | K376 Q380 | K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 2.85Å; T378-Q380 VanDerWaalsContact C-N 3.28Å; T378-Q380 PolarHBondContact O-N 2.71Å | ||
| 379 | S | 52.9 | Low | 54.1 | Low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -47.7 | 97.3 | 170.9 | 50 | 0 | 0 | 0 | 0 | 107.9 | Y377 I381 | Y377-S379 PolarHBondContact O-N 2.87Å; S379-I381 PolarHBondContact O-N 2.9Å | ||
| 380 | Q | 53.5 | Low | 53.4 | Low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 100.2 | 155.7 | -79 | -172.4 | -11.1 | 0 | 0 | 104.2 | T378 P382 | T378-Q380 VanDerWaalsContact C-N 3.28Å; T378-Q380 PolarHBondContact O-N 2.71Å; Q380-P382 WeakPolarHBondContact O-CD 3.33Å; Q380-P382 VanDerWaalsContact O-N 3.12Å | ||
| 381 | I | 54.5 | Low | 53.2 | Low | 134 Ų | 134 | 146.6 Ų | 146.6 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -45.1 | 116 | 163.2 | -63.7 | 162.7 | 0 | 0 | 0 | 105.4 | S379 I383 | S379-I381 PolarHBondContact O-N 2.9Å; I381-I383 PolarHBondContact O-N 3.32Å | ||
| 382 | P | 54.8 | Low | 53 | Low | 116 Ų | 116 | 151.3 Ų | 151.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -63.6 | 110.4 | 167.2 | 25.7 | -28.4 | 0 | 0 | 0 | 105.2 | Q380 G384 | Q380-P382 WeakPolarHBondContact O-CD 3.33Å; Q380-P382 VanDerWaalsContact O-N 3.12Å; P382-G384 PolarHBondContact O-N 2.69Å | ||
| 383 | I | 53.8 | Low | 53.1 | Low | 157 Ų | 157 | 150.5 Ų | 150.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 76.1 | 161.6 | -59.4 | 173.8 | 0 | 0 | 0 | 104.8 | I381 H385 | I381-I383 PolarHBondContact O-N 3.32Å; I383-H385 PolarHBondContact O-N 3Å | ||
| 384 | G | 52.1 | Low | 53.5 | Low | 50 Ų | 50 | 147.5 Ų | 147.5 | 52% | 0.515 | 78% | 0.779 | S | S | . | * | trans | -70.6 | 108.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | P382 Y386 | P382-G384 PolarHBondContact O-N 2.69Å; G384-Y386 PolarHBondContact O-N 3.32Å | ||
| 385 | H | 51.7 | Low | 53.6 | Low | 173 Ų | 173 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | -43.5 | 106.8 | 167.1 | -90.7 | -84.2 | 0 | 0 | 0 | 110.3 | I383 Y387 | I383-H385 PolarHBondContact O-N 3Å; H385-Y387 PolarHBondContact O-N 3.4Å; H385-Y387 VanDerWaalsContact O-N 3.14Å | ||
| 386 | Y | 46.7 | Very low | 53.5 | Low | 233 Ų | 233 | 152.9 Ų | 152.9 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 99.4 | 162.5 | -96 | -97.1 | 0 | 0 | 0 | 107.8 | G384 | G384-Y386 PolarHBondContact O-N 3.32Š| ||
| 387 | Y | 49.2 | Very low | 53.4 | Low | 203 Ų | 203 | 149.8 Ų | 149.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -125 | 112.1 | 157.2 | -114.4 | -93.6 | 0 | 0 | 0 | 108.4 | H385 | H385-Y387 PolarHBondContact O-N 3.4Å; H385-Y387 VanDerWaalsContact O-N 3.14Å | ||
| 388 | K | 52.4 | Low | 53.4 | Low | 198 Ų | 198 | 147.8 Ų | 147.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 45.4 | 106.1 | 161.8 | -73.9 | -179.9 | 174 | 178.4 | 0 | 117.6 | ||
| 389 | G | 50.8 | Low | 53.8 | Low | 70 Ų | 70 | 148.1 Ų | 148.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 106.9 | 104.1 | 132.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 390 | V | 57.3 | Low | 54 | Low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 71.7 | 110 | 151.1 | -163.4 | 0 | 0 | 0 | 0 | 116.6 | K392 | V390-K392 PolarHBondContact O-N 3.48Š| ||
| 391 | P | 59.2 | Low | 54.6 | Low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 120.5 | 167.4 | 27.3 | -30 | 0 | 0 | 0 | 110 | A393 | P391-A393 PolarHBondContact O-N 3.41Š|
| 392 | K | 57.6 | Low | 55.1 | Low | 201 Ų | 201 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 120.5 | 166 | -102.2 | 175.5 | 176.5 | 171.2 | 0 | 108.8 | V390 | V390-K392 PolarHBondContact O-N 3.48Š|
| 393 | A | 61.3 | Low | 55.3 | Low | 79 Ų | 79 | 146.2 Ų | 146.2 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | P391 R395 | P391-A393 PolarHBondContact O-N 3.41Å; A393-R395 PolarHBondContact O-N 3.04Å; A393-R395 VanDerWaalsContact O-N 3.11Å |
| 394 | P | 60 | Low | 55.5 | Low | 134 Ų | 134 | 142.9 Ų | 142.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -67.3 | 112.5 | 175.6 | 24.2 | -26.5 | 0 | 0 | 0 | 109.2 | ||||
| 395 | R | 52 | Low | 55.5 | Low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 136.5 | 171.6 | -66.3 | -176.5 | 177.8 | 174.3 | -2 | 109.1 | A393 | A393-R395 PolarHBondContact O-N 3.04Å; A393-R395 VanDerWaalsContact O-N 3.11Å | ||
| 396 | H | 47.6 | Very low | 55.6 | Low | 164 Ų | 164 | 142.2 Ų | 142.2 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 85.1 | 76.4 | 165 | -49 | -64.8 | 0 | 0 | 0 | 117.4 | ||||
| 397 | C | 47.2 | Very low | 55.7 | Low | 133 Ų | 133 | 135 Ų | 135 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 99.6 | 139.8 | -68.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 398 | M | 55 | Low | 55.8 | Low | 172 Ų | 172 | 131.2 Ų | 131.2 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 129.4 | 164 | -95.6 | 175.3 | 154.9 | 0 | 0 | 108.2 | G400 | M398-G400 PolarHBondContact O-N 3.48Å; M398-G400 VanDerWaalsContact O-N 3.13Å | ||
| 399 | P | 60.4 | Low | 55.7 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -64.1 | 115.1 | 170.8 | 25.3 | -30.2 | 0 | 0 | 0 | 108.6 | ||||
| 400 | G | 57.5 | Low | 55.5 | Low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 149.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | M398 | M398-G400 PolarHBondContact O-N 3.48Å; M398-G400 VanDerWaalsContact O-N 3.13Å | ||
| 401 | S | 66.3 | Low | 55.2 | Low | 79 Ų | 79 | 138.9 Ų | 138.9 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | trans | -50.1 | 136.9 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | W403 A404 | S401-W403 PolarHBondContact O-N 2.77Å; S401-A404 PolarHBondContact O-N 2.61Å | ||
| 402 | P | 64.6 | Low | 54.6 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -5.2 | -176.6 | 21.9 | -31.3 | 0 | 0 | 0 | 115.1 | ||
| 403 | W | 59 | Low | 54.4 | Low | 232 Ų | 232 | 136.7 Ų | 136.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -4.1 | -177.9 | -61.8 | 88 | 0 | 0 | 0 | 114.7 | S401 A405 | S401-W403 PolarHBondContact O-N 2.77Å; W403-A405 PolarHBondContact O-N 2.99Å |
| 404 | A | 58.3 | Low | 53.4 | Low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -88.6 | 9.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | S401 S406 | S401-A404 PolarHBondContact O-N 2.61Å; A404-S406 PolarHBondContact O-N 3.18Å | ||
| 405 | A | 51.5 | Low | 52.8 | Low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -85.7 | 7.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | W403 | W403-A405 PolarHBondContact O-N 2.99Š| ||
| 406 | S | 54.7 | Low | 52.7 | Low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -112.5 | 67.1 | -179.7 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | A404 | A404-S406 PolarHBondContact O-N 3.18Š| ||
| 407 | S | 49.1 | Very low | 52.7 | Low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | trans | -139.1 | 113.2 | 164.1 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | Y409 | S407-Y409 PolarHBondContact O-N 2.97Š| ||
| 408 | P | 50.9 | Low | 52.7 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -81.8 | 32.2 | -174.6 | 11.7 | 1.1 | 0 | 0 | 0 | 114.8 | ||||
| 409 | Y | 50.4 | Low | 52.3 | Low | 197 Ų | 197 | 139 Ų | 139 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 75.6 | 177.3 | -73 | -84.6 | 0 | 0 | 0 | 111.7 | S407 | S407-Y409 PolarHBondContact O-N 2.97Š| ||
| 410 | H | 46.5 | Very low | 51.5 | Low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -121.1 | 109.5 | 157 | -103.1 | -74.4 | 0 | 0 | 0 | 109.2 | A412 | H410-A412 PolarHBondContact O-N 2.75Š| ||
| 411 | H | 49.7 | Very low | 51.3 | Low | 179 Ų | 179 | 144.7 Ų | 144.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -59.1 | 129.3 | 170.9 | -91.8 | -86 | 0 | 0 | 0 | 110.2 | F413 | H411-F413 PolarHBondContact O-N 2.9Š| ||
| 412 | A | 47.1 | Very low | 50.1 | Low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -62.8 | 120.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | H410 | H410-A412 PolarHBondContact O-N 2.75Š| ||
| 413 | F | 52.5 | Low | 49.1 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -95.8 | 106.5 | 156.5 | -106.5 | -90.3 | 0 | 0 | 0 | 107 | H411 | H411-F413 PolarHBondContact O-N 2.9Š| ||
| 414 | S | 41.1 | Very low | 48.4 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -79.7 | 113.5 | 167.9 | -79.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 415 | F | 47.7 | Very low | 47.7 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 122.9 | 159.8 | -100.3 | -94.8 | 0 | 0 | 0 | 108 | ||
| 416 | S | 48.7 | Very low | 47.3 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 119 | 168.9 | -65.9 | 0 | 0 | 0 | 0 | 109 | ||
| 417 | D | 48.5 | Very low | 46.8 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.1 | 172.4 | -89.8 | -34.9 | 0 | 0 | 0 | 110.9 | ||
| 418 | Q | 46.5 | Very low | 46.9 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -93.9 | 102 | 170.2 | -166.3 | 172.8 | 14.2 | 0 | 0 | 108.6 | Y420 | Q418-Y420 HydrophobicContact CG-CE2 4.33Š| ||
| 419 | K | 47.8 | Very low | 46.5 | Very low | 203 Ų | 203 | 157.9 Ų | 157.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -95.6 | 110.9 | 177 | -137.1 | 175.9 | -172.3 | 177.9 | 0 | 109.3 | ||||
| 420 | Y | 43.7 | Very low | 46.2 | Very low | 193 Ų | 193 | 152.1 Ų | 152.1 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 137.3 | 168.8 | -79 | -93.8 | 0 | 0 | 0 | 110.4 | Q418 | Q418-Y420 HydrophobicContact CG-CE2 4.33Š| ||
| 421 | S | 52 | Low | 46.1 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -140.5 | 132.1 | 162.7 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 422 | H | 42 | Very low | 46 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -84.5 | 171.9 | -175 | -96.2 | -90.6 | 0 | 0 | 0 | 113.4 | ||||
| 423 | Y | 43.5 | Very low | 45.9 | Very low | 232 Ų | 232 | 153.5 Ų | 153.5 | 91% | 0.91 | 81% | 0.81 | S | S | * | * | trans | 91 | 130.6 | 166.6 | -63.4 | -84.3 | 0 | 0 | 0 | 115.5 | ||||
| 424 | G | 43.6 | Very low | 45.5 | Very low | 65 Ų | 65 | 148.6 Ų | 148.6 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | -178.3 | 141.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 425 | I | 43.6 | Very low | 45.9 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 24.8 | 117.5 | 143.5 | -40.3 | 177.9 | 0 | 0 | 0 | 119.4 | ||||
| 426 | H | 44 | Very low | 45.9 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | 169.7 | 122.3 | 114.3 | -94 | -74.6 | 0 | 0 | 0 | 112 | |||||
| 427 | T | 43.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -88.9 | -179.3 | 162.9 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 428 | P | 50.3 | Low | 45.7 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | cis | -144.9 | 176.3 | 10.8 | 40.9 | -19.8 | 0 | 0 | 0 | 117.8 | ||||
| 429 | L | 43.5 | Very low | 45.7 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | 59.3 | 125.1 | 144.4 | -104.3 | 75 | 0 | 0 | 0 | 122 | ||||
| 430 | G | 45 | Very low | 45.8 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 165.2 | 99.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 431 | N | 42.9 | Very low | 45.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -57.2 | 145.7 | 167.3 | -89.7 | -25.8 | 0 | 0 | 0 | 111.9 | ||||
| 432 | H | 48.6 | Very low | 45.5 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | 174.2 | 147.3 | 119.7 | -89.7 | -63.6 | 0 | 0 | 0 | 112.2 | |||||
| 433 | N | 45 | Very low | 45.5 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -75.9 | 176.2 | -172.9 | -62.7 | -39 | 0 | 0 | 0 | 114.1 | ||||
| 434 | A | 44.7 | Very low | 45.6 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 93 | 102.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 435 | V | 48.8 | Very low | 45.7 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | 70.1 | 98.3 | 88.5 | 171.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 436 | K | 46.7 | Very low | 46 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | 170.7 | 131 | 117.8 | -105.7 | 165.5 | -179.7 | 179.7 | 0 | 112.6 | |||||
| 437 | N | 47.3 | Very low | 46.2 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -2.1 | 131.4 | 148.9 | -61.2 | -10.4 | 0 | 0 | 0 | 117.8 | ||||
| 438 | S | 46.6 | Very low | 46.3 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | 174.1 | 126.1 | 102.6 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 439 | H | 47 | Very low | 46.2 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | 32.5 | 107.9 | 147.3 | -74.6 | -83.2 | 0 | 0 | 0 | 120 | ||||
| 440 | S | 50.1 | Low | 46.9 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -151 | 110.6 | 134 | 63.9 | 0 | 0 | 0 | 0 | 108.7 | Y442 | S440-Y442 PolarHBondContact O-N 2.82Š| ||
| 441 | E | 43.5 | Very low | 47.1 | Very low | 192 Ų | 192 | 158 Ų | 158 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -81.2 | 103.9 | -179.8 | -162.3 | 172.9 | -163.7 | 0 | 0 | 108.3 | ||||
| 442 | Y | 44.6 | Very low | 47.1 | Very low | 222 Ų | 222 | 156.4 Ų | 156.4 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -114.4 | 117.4 | 172.3 | -117.7 | -90.4 | 0 | 0 | 0 | 108.4 | S440 G444 | S440-Y442 PolarHBondContact O-N 2.82Å; Y442-G444 PolarHBondContact O-N 3.5Å | ||
| 443 | R | 42.2 | Very low | 46.6 | Very low | 244 Ų | 244 | 153.9 Ų | 153.9 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.2 | 176 | -84.5 | -176.7 | -177.2 | -178.1 | 1.2 | 110.2 | ||
| 444 | G | 45.8 | Very low | 46.8 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y442 | Y442-G444 PolarHBondContact O-N 3.5Š|
| 445 | H | 45.3 | Very low | 46.9 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.3 | 162.9 | -86.7 | -5 | 0 | 0 | 0 | 111.6 | ||
| 446 | N | 51.2 | Low | 46.6 | Very low | 170 Ų | 170 | 156 Ų | 156 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 124.8 | 158.2 | -110.4 | -4.3 | 0 | 0 | 0 | 107.8 | ||
| 447 | P | 46.7 | Very low | 46.4 | Very low | 96 Ų | 96 | 158.4 Ų | 158.4 | 62% | 0.623 | 83% | 0.827 | S | S | * | * | trans | -123.6 | 81.8 | 173.3 | 36.4 | -21.7 | 0 | 0 | 0 | 111.3 | ||||
| 448 | W | 45.9 | Very low | 46.2 | Very low | 240 Ų | 240 | 160.8 Ų | 160.8 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -156.1 | 86 | 163.7 | -78.1 | 100.8 | 0 | 0 | 0 | 111.6 | ||||
| 449 | T | 50.1 | Low | 46.1 | Very low | 133 Ų | 133 | 163.1 Ų | 163.1 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -143.7 | 114 | 159 | 36.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 450 | P | 56.3 | Low | 46 | Very low | 129 Ų | 129 | 160 Ų | 160 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -89.2 | 105.8 | 164.2 | 17.7 | -2.3 | 0 | 0 | 0 | 109.2 | ||||
| 451 | E | 49.8 | Very low | 45.6 | Very low | 179 Ų | 179 | 165.5 Ų | 165.5 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -80.1 | 162.7 | 158.9 | -96.7 | -170.7 | -179.6 | 0 | 0 | 110.8 | ||||
| 452 | P | 43.6 | Very low | 45.9 | Very low | 117 Ų | 117 | 163 Ų | 163 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -83.3 | 137.3 | -158.1 | 32.7 | -33 | 0 | 0 | 0 | 113.3 | S454 | P452-S454 PolarHBondContact O-N 2.93Å; P452-S454 VanDerWaalsContact O-N 3.14Å | ||
| 453 | C | 38.4 | Very low | 45.8 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 104.9 | 171.6 | -78.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 454 | S | 48.3 | Very low | 46.1 | Very low | 112 Ų | 112 | 157.3 Ų | 157.3 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -82.7 | 125.2 | 151.9 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | P452 | P452-S454 PolarHBondContact O-N 2.93Å; P452-S454 VanDerWaalsContact O-N 3.14Å | ||
| 455 | I | 46.5 | Very low | 46 | Very low | 154 Ų | 154 | 163.9 Ų | 163.9 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -110.3 | 107.5 | 167.1 | -68.1 | 175.8 | 0 | 0 | 0 | 108.5 | ||||
| 456 | N | 41.9 | Very low | 46 | Very low | 150 Ų | 150 | 162.1 Ų | 162.1 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -67.6 | 126.5 | 159.7 | -105.9 | -38.3 | 0 | 0 | 0 | 109 | ||||
| 457 | R | 44.3 | Very low | 45.8 | Very low | 244 Ų | 244 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -117.9 | 95.3 | 164.8 | -153.2 | 179.4 | -149.5 | 176.8 | 6.6 | 108.3 | ||||
| 458 | R | 42 | Very low | 45.7 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -94 | 140.6 | 166.7 | -90.4 | -170.8 | -177.1 | -163.9 | 1.9 | 109.7 | ||||
| 459 | Q | 44.4 | Very low | 45.7 | Very low | 156 Ų | 156 | 160.8 Ų | 160.8 | 73% | 0.729 | 82% | 0.819 | S | S | * | * | trans | 68.5 | 106.7 | 146.3 | -69.9 | 170.8 | -27.3 | 0 | 0 | 119.3 | ||||
| 460 | S | 44.4 | Very low | 45.4 | Very low | 119 Ų | 119 | 162.2 Ų | 162.2 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -148.7 | 104.1 | 130.6 | 57.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 461 | Y | 42.9 | Very low | 45 | Very low | 224 Ų | 224 | 163.4 Ų | 163.4 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -68.8 | 123.7 | 164.2 | -95 | -101.1 | 0 | 0 | 0 | 108.9 | ||||
| 462 | V | 49.1 | Very low | 45 | Very low | 140 Ų | 140 | 163.9 Ų | 163.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -140 | 116.7 | 151.6 | 177.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 463 | S | 42.2 | Very low | 45.3 | Very low | 106 Ų | 106 | 164.8 Ų | 164.8 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -74.4 | 131.9 | 174.7 | 158.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 464 | R | 49.3 | Very low | 45.9 | Very low | 241 Ų | 241 | 167 Ų | 167 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 114.2 | 151.7 | -152.8 | 170.4 | -168 | 164.2 | 3.4 | 110.5 | ||||
| 465 | R | 42.7 | Very low | 46.2 | Very low | 213 Ų | 213 | 170.1 Ų | 170.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -64.7 | 144.1 | 163.4 | -65.2 | 176.2 | -174.9 | 150.4 | 1.7 | 108.8 | ||||
| 466 | D | 46.3 | Very low | 46.8 | Very low | 150 Ų | 150 | 169.5 Ų | 169.5 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | 178.9 | 147.3 | 104.7 | -84.6 | -30.1 | 0 | 0 | 0 | 111 | |||||
| 467 | S | 46 | Very low | 47.5 | Very low | 104 Ų | 104 | 168.4 Ų | 168.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -38.5 | 143.6 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 468 | Q | 45 | Very low | 48.6 | Very low | 182 Ų | 182 | 163.8 Ų | 163.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | -161.9 | 114.6 | 127.4 | -108.6 | 172 | 4.8 | 0 | 0 | 111.2 | |||||
| 469 | Q | 45.7 | Very low | 49.8 | Very low | 191 Ų | 191 | 162.1 Ų | 162.1 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -66.2 | 138.8 | 157.8 | -76.1 | 169.6 | -42.8 | 0 | 0 | 108.8 | ||||
| 470 | L | 45.3 | Very low | 50.9 | Low | 164 Ų | 164 | 163.4 Ų | 163.4 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -131.8 | 116 | 157.2 | -127.4 | 100.1 | 0 | 0 | 0 | 110.5 | ||||
| 471 | H | 46.5 | Very low | 51.6 | Low | 154 Ų | 154 | 169 Ų | 169 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | trans | -49.3 | 138.1 | 160.8 | -115.4 | -117.2 | 0 | 0 | 0 | 110.6 | ||||
| 472 | R | 49.9 | Very low | 52 | Low | 189 Ų | 189 | 166.2 Ų | 166.2 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | 80.7 | 114.7 | 73.6 | -166.3 | 177.2 | -152.1 | -176.5 | 10.5 | 113.9 | |||||
| 473 | N | 50.2 | Low | 52.2 | Low | 136 Ų | 136 | 167.6 Ų | 167.6 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | 83.7 | 152.5 | 150.4 | -64 | -1.3 | 0 | 0 | 0 | 121.2 | ||||
| 474 | E | 50.9 | Low | 52.8 | Low | 175 Ų | 175 | 171 Ų | 171 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | 91.7 | 94.6 | 165.5 | -67.2 | 178.1 | 169.7 | 0 | 0 | 117.7 | ||||
| 475 | I | 54.8 | Low | 53 | Low | 177 Ų | 177 | 166.9 Ų | 166.9 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | trans | -132.3 | 108 | 133.2 | -60 | -176.6 | 0 | 0 | 0 | 106.9 | ||||
| 476 | L | 58.6 | Low | 53.6 | Low | 141 Ų | 141 | 164 Ų | 164 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 150.4 | 174.3 | -139.1 | 84 | 0 | 0 | 0 | 109.6 | ||
| 477 | T | 56.6 | Low | 54.1 | Low | 127 Ų | 127 | 164.9 Ų | 164.9 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 128.6 | 164.2 | 39.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 478 | D | 67 | Low | 54.7 | Low | 148 Ų | 148 | 169.3 Ų | 169.3 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 116.6 | 160.6 | -82.3 | -29.2 | 0 | 0 | 0 | 108.7 | ||
| 479 | D | 68.7 | Low | 55.4 | Low | 168 Ų | 168 | 168.3 Ų | 168.3 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 123 | 149.7 | -80.8 | -42.2 | 0 | 0 | 0 | 105.8 | ||
| 480 | E | 67.8 | Low | 56.2 | Low | 183 Ų | 183 | 166.4 Ų | 166.4 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -114 | 136.3 | 166 | -87.6 | -155.8 | 153.9 | 0 | 0 | 110 | ||||
| 481 | D | 58.3 | Low | 57.2 | Low | 235 Ų | 235 | 166.6 Ų | 166.6 | 100% | 1.257 | 84% | 0.836 | S | S | * | * | trans | -64.5 | 0 | 152.2 | -78.6 | -47.4 | 0 | 0 | 0 | 112.1 |
Retrieved 481 of 481 residues in 88.7 ms
(Link to these results)