| 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 | 67.2 | Low | 83.1 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | 0 | -164.2 | 0 | -78.4 | 161.1 | 152.6 | 0 | 0 | 107.8 | E77 | M1-E77 HydrophobicContact CE-CG 4.15Å; M1-E77 HydrophobicContact SD-CB 4.31Å; M1-E77 HydrophobicContact SD-CG 3.94Å | |||
| 2 | R | 81 | Confident | 82.9 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | trans | -67.8 | 140.7 | 156.5 | -63.9 | -167.2 | -68.3 | 168.1 | 2.7 | 107.3 | R7 E10 S70 | R2-R7 HydrophobicContact CB-CG 4.29Å; R2-E10 IonicContact CZ-OE2 3.18Å; R2-E10 IonicContact NH1-OE2 2.94Å; R2-E10 PolarHBondContact NH1-OE2 3Å; R2-E10 IonicContact NH2-OE2 2.68Å; R2-E10 PolarHBondContact NH2-OE2 3.49Å; R2-S70 PolarHBondContact NH2-O 2.74Å | ||
| 3 | T | 83.4 | Confident | 82.5 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | trans | -69.5 | 157.2 | -179.1 | 74.1 | 0 | 0 | 0 | 0 | 110.3 | H5 D6 R7 | T3-H5 PolarHBondContact O-N 3.18Å; T3-H5 PolarHBondContact OG1-N 2.81Å; T3-D6 VanDerWaalsContact CB-OD2 3.29Å; T3-D6 WeakPolarHBondContact CB-OD2 3.15Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.38Å; T3-D6 PolarHBondContact N-OD2 3.08Å; T3-D6 PolarHBondContact O-N 3.01Å; T3-D6 PolarHBondContact OG1-N 3.05Å; T3-D6 VanDerWaalsContact OG1-N 3.07Å; T3-D6 PolarHBondContact OG1-OD2 3.13Å; T3-R7 WeakPolarHBondContact O-CD 3.36Å; T3-R7 WeakPolarHBondContact O-CG 3.48Å; T3-R7 PolarHBondContact O-N 3.43Å | ||
| 4 | L | 85.4 | Confident | 82 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.1 | -35 | 173.7 | -177.6 | 59.3 | 0 | 0 | 0 | 111.2 | R7 I8 I73 W97 T406 | L4-R7 PolarHBondContact O-N 2.95Å; L4-I8 HydrophobicContact CD1-CD1 4.38Å; L4-I8 HydrophobicContact CD1-CG1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.93Å; L4-I8 HydrophobicContact CG-CG1 4.44Å; L4-I8 WeakPolarHBondContact O-CB 3.17Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.27Å; L4-I8 PolarHBondContact O-N 2.86Å; L4-I73 HydrophobicContact CD1-CD1 4.19Å; L4-I73 HydrophobicContact CD1-CG1 4Å; L4-I73 HydrophobicContact CD2-CD1 4.2Å; L4-W97 HydrophobicContact CD2-CH2 4.01Å; L4-T406 HydrophobicContact CD1-CG2 4.31Å; L4-T406 HydrophobicContact CD2-CG2 3.88Å; L4-T406 HydrophobicContact CG-CG2 4.38Å |
| 5 | H | 82.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 59 Ų | 59 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.2 | -172.1 | 69.2 | 0 | 0 | 0 | 112.5 | T3 R7 I8 N9 | T3-H5 PolarHBondContact O-N 3.18Å; T3-H5 PolarHBondContact OG1-N 2.81Å; H5-R7 VanDerWaalsContact C-N 3.25Å; H5-R7 PolarHBondContact O-N 2.81Å; H5-I8 PolarHBondContact O-N 2.96Å; H5-N9 PolarHBondContact CD2-ND2 2.77Å; H5-N9 PolarHBondContact NE2-ND2 3.27Å; H5-N9 WeakPolarHBondContact O-CB 3.47Å; H5-N9 VanDerWaalsContact O-CG 3.23Å; H5-N9 PolarHBondContact O-N 3.47Å; H5-N9 PolarHBondContact O-ND2 2.94Å |
| 6 | D | 86 | Confident | 80.1 | Confident | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 174.4 | -56.2 | -48.8 | 0 | 0 | 0 | 111.7 | T3 N9 E10 | T3-D6 VanDerWaalsContact CB-OD2 3.29Å; T3-D6 WeakPolarHBondContact CB-OD2 3.15Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.38Å; T3-D6 PolarHBondContact N-OD2 3.08Å; T3-D6 PolarHBondContact O-N 3.01Å; T3-D6 PolarHBondContact OG1-N 3.05Å; T3-D6 VanDerWaalsContact OG1-N 3.07Å; T3-D6 PolarHBondContact OG1-OD2 3.13Å; D6-N9 PolarHBondContact O-N 3.07Å; D6-E10 WeakPolarHBondContact O-CB 3.41Å; D6-E10 PolarHBondContact O-N 2.76Å |
| 7 | R | 89.7 | Confident | 78.7 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.9 | -40.2 | -179.5 | -71.3 | 159.2 | 43.5 | 179.4 | -11.4 | 112.2 | R2 T3 L4 H5 E10 L11 C71 W72 I73 E77 | R2-R7 HydrophobicContact CB-CG 4.29Å; T3-R7 WeakPolarHBondContact O-CD 3.36Å; T3-R7 WeakPolarHBondContact O-CG 3.48Å; T3-R7 PolarHBondContact O-N 3.43Å; L4-R7 PolarHBondContact O-N 2.95Å; H5-R7 VanDerWaalsContact C-N 3.25Å; H5-R7 PolarHBondContact O-N 2.81Å; R7-E10 PolarHBondContact O-N 3.41Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.49Å; R7-C71 HydrophobicContact CB-CB 4.22Å; R7-C71 VanDerWaalsContact CZ-O 3.27Å; R7-C71 PolarHBondContact NE-O 3.1Å; R7-C71 PolarHBondContact NH2-O 3.2Å; R7-W72 PolarHBondContact NH2-O 3.01Å; R7-I73 VanDerWaalsContact NH2-CA 3.35Å; R7-I73 VanDerWaalsContact NH2-N 3.11Å; R7-E77 IonicContact CZ-OE1 2.74Å; R7-E77 IonicContact CZ-OE2 3.31Å; R7-E77 IonicContact NH1-OE1 3.71Å; R7-E77 PolarHBondContact NH1-OE1 3.2Å; R7-E77 IonicContact NH1-OE2 2.78Å; R7-E77 PolarHBondContact NH1-OE2 3.03Å; R7-E77 IonicContact NH2-OE1 2.71Å |
| 8 | I | 85.9 | Confident | 76.9 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 170.8 | -74.1 | 167.1 | 0 | 0 | 0 | 109.7 | L4 H5 E10 L11 V12 T406 P410 | L4-I8 HydrophobicContact CD1-CD1 4.38Å; L4-I8 HydrophobicContact CD1-CG1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.93Å; L4-I8 HydrophobicContact CG-CG1 4.44Å; L4-I8 WeakPolarHBondContact O-CB 3.17Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.27Å; L4-I8 PolarHBondContact O-N 2.86Å; H5-I8 PolarHBondContact O-N 2.96Å; I8-E10 VanDerWaalsContact C-N 3.28Å; I8-E10 PolarHBondContact O-N 2.92Å; I8-L11 WeakPolarHBondContact O-CB 3.33Å; I8-L11 PolarHBondContact O-N 2.99Å; I8-L11 VanDerWaalsContact O-N 3.1Å; I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3Å; I8-T406 HydrophobicContact CD1-CG2 4.07Å; I8-P410 HydrophobicContact CG2-CG 4.09Å |
| 9 | N | 82.4 | Confident | 75.2 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 177.6 | -68.8 | -23.3 | 0 | 0 | 0 | 112.1 | H5 D6 S13 | H5-N9 PolarHBondContact CD2-ND2 2.77Å; H5-N9 PolarHBondContact NE2-ND2 3.27Å; H5-N9 WeakPolarHBondContact O-CB 3.47Å; H5-N9 VanDerWaalsContact O-CG 3.23Å; H5-N9 PolarHBondContact O-N 3.47Å; H5-N9 PolarHBondContact O-ND2 2.94Å; D6-N9 PolarHBondContact O-N 3.07Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.7Å |
| 10 | E | 84.9 | Confident | 73.9 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 172.4 | -178.8 | 159 | -135.4 | 0 | 0 | 112.6 | R2 D6 R7 I8 S13 L14 K67 C71 | R2-E10 IonicContact CZ-OE2 3.18Å; R2-E10 IonicContact NH1-OE2 2.94Å; R2-E10 PolarHBondContact NH1-OE2 3Å; R2-E10 IonicContact NH2-OE2 2.68Å; R2-E10 PolarHBondContact NH2-OE2 3.49Å; D6-E10 WeakPolarHBondContact O-CB 3.41Å; D6-E10 PolarHBondContact O-N 2.76Å; R7-E10 PolarHBondContact O-N 3.41Å; I8-E10 VanDerWaalsContact C-N 3.28Å; I8-E10 PolarHBondContact O-N 2.92Å; E10-S13 PolarHBondContact O-N 3.4Å; E10-S13 PolarHBondContact O-OG 3.36Å; E10-L14 PolarHBondContact O-N 2.8Å; E10-K67 VanDerWaalsContact CG-CE 3.48Å; E10-K67 WeakPolarHBondContact OE1-CE 3.17Å; E10-K67 IonicContact OE1-NZ 3.8Å; E10-K67 PolarHBondContact OE1-NZ 3.01Å; E10-C71 PolarHBondContact OE2-SG 3.26Å |
| 11 | L | 86.1 | Confident | 72.7 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 174 | -73.6 | 169.3 | 0 | 0 | 0 | 112 | R7 I8 S13 L14 Y15 L33 I68 C71 L411 | R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.49Å; I8-L11 WeakPolarHBondContact O-CB 3.33Å; I8-L11 PolarHBondContact O-N 2.99Å; I8-L11 VanDerWaalsContact O-N 3.1Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.9Å; L11-L14 HydrophobicContact CD2-CD1 4.42Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-L14 VanDerWaalsContact O-N 3.08Å; L11-Y15 PolarHBondContact O-N 2.88Å; L11-L33 HydrophobicContact CD1-CD1 4.32Å; L11-L33 HydrophobicContact CD2-CD1 4.11Å; L11-I68 HydrophobicContact CD2-CB 4.45Å; L11-I68 HydrophobicContact CD2-CG1 4.15Å; L11-I68 HydrophobicContact CD2-CG2 4.39Å; L11-C71 HydrophobicContact CD1-CB 3.81Å; L11-C71 HydrophobicContact CD2-CB 3.86Å; L11-C71 HydrophobicContact CG-CB 3.63Å; L11-L411 HydrophobicContact CB-CD1 3.67Å; L11-L411 HydrophobicContact CD1-CD1 4.18Å |
| 12 | V | 80 | Confident | 71.9 | Confident | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.9 | -46.5 | 171.3 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | I8 L14 Y15 T16 P410 L411 | I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3Å; V12-L14 PolarHBondContact O-N 2.95Å; V12-Y15 PolarHBondContact O-N 3.36Å; V12-T16 HydrophobicContact CG1-CG2 3.67Å; V12-T16 PolarHBondContact O-N 3.04Å; V12-T16 PolarHBondContact O-OG1 3.49Å; V12-P410 HydrophobicContact CG2-CG 4.07Å; V12-L411 HydrophobicContact CG2-CD1 4.41Å; V12-L411 HydrophobicContact CG2-CD2 3.66Å; V12-L411 HydrophobicContact CG2-CG 4.05Å |
| 13 | S | 78.2 | Confident | 70.5 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -15.9 | 179.9 | 84.3 | 0 | 0 | 0 | 0 | 115.4 | N9 E10 L11 K17 | N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.7Å; E10-S13 PolarHBondContact O-N 3.4Å; E10-S13 PolarHBondContact O-OG 3.36Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.9Å; S13-K17 WeakPolarHBondContact O-CD 3.31Å; S13-K17 WeakPolarHBondContact O-CG 3.41Å |
| 14 | L | 75.3 | Confident | 68.9 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 36% | 0.356 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.9 | -28.1 | 171.6 | -70.8 | 172 | 0 | 0 | 0 | 112 | E10 L11 V12 K67 | E10-L14 PolarHBondContact O-N 2.8Å; L11-L14 HydrophobicContact CD2-CD1 4.42Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-L14 VanDerWaalsContact O-N 3.08Å; V12-L14 PolarHBondContact O-N 2.95Å; L14-K67 HydrophobicContact CD1-CD 3.93Å; L14-K67 HydrophobicContact CD1-CG 4.18Å; L14-K67 HydrophobicContact CD2-CD 4.05Å; L14-K67 HydrophobicContact CG-CD 4.48Å |
| 15 | Y | 70.2 | Confident | 67.3 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 26% | 0.255 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -91.7 | -46.6 | -178.9 | -170.1 | -105.4 | 0 | 0 | 0 | 112.3 | L11 V12 K17 L22 V29 L32 | L11-Y15 PolarHBondContact O-N 2.88Å; V12-Y15 PolarHBondContact O-N 3.36Å; Y15-K17 VanDerWaalsContact C-N 3.29Å; Y15-K17 PolarHBondContact O-N 2.93Å; Y15-L22 HydrophobicContact CD1-CD1 3.86Å; Y15-L22 HydrophobicContact CE1-CD1 4.12Å; Y15-V29 HydrophobicContact CD1-CG2 4.4Å; Y15-V29 HydrophobicContact CD2-CG1 4.19Å; Y15-V29 HydrophobicContact CE1-CG2 4.14Å; Y15-V29 HydrophobicContact CG-CG1 4.25Å; Y15-L32 HydrophobicContact CD2-CD2 4.39Å; Y15-L32 HydrophobicContact CE2-CD2 3.81Å |
| 16 | T | 64.1 | Low | 66 | Low | 59 Ų | 59 | 78 Ų | 78 | 36% | 0.362 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -74.6 | -9.2 | -171.3 | 56 | 0 | 0 | 0 | 0 | 115.3 | V12 S18 L22 | V12-T16 HydrophobicContact CG1-CG2 3.67Å; V12-T16 PolarHBondContact O-N 3.04Å; V12-T16 PolarHBondContact O-OG1 3.49Å; T16-S18 PolarHBondContact O-N 3.32Å; T16-L22 HydrophobicContact CG2-CD1 3.74Å |
| 17 | K | 55.8 | Low | 64.7 | Low | 177 Ų | 177 | 79.7 Ų | 79.7 | 77% | 0.77 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -64.8 | -7.8 | -173.7 | -96.9 | -176.3 | 179.9 | -173.1 | 0 | 116.1 | S13 Y15 | S13-K17 WeakPolarHBondContact O-CD 3.31Å; S13-K17 WeakPolarHBondContact O-CG 3.41Å; Y15-K17 VanDerWaalsContact C-N 3.29Å; Y15-K17 PolarHBondContact O-N 2.93Å |
| 18 | S | 47.1 | Very low | 63.8 | Low | 115 Ų | 115 | 80.4 Ų | 80.4 | 80% | 0.804 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -156.2 | 21.6 | -179.6 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | T16 | T16-S18 PolarHBondContact O-N 3.32Š|
| 19 | S | 43.4 | Very low | 63.6 | Low | 44 Ų | 44 | 80.2 Ų | 80.2 | 31% | 0.308 | 44% | 0.442 | S | S | . | . | trans | -157.2 | 133.6 | 175.2 | -166 | 0 | 0 | 0 | 0 | 113.5 | L21 | S19-L21 VanDerWaalsContact C-N 3.29Å; S19-L21 PolarHBondContact O-N 3.36Å | ||
| 20 | P | 49.1 | Very low | 63.7 | Low | 121 Ų | 121 | 77.1 Ų | 77.1 | 79% | 0.786 | 43% | 0.426 | S | S | * | . | trans | -85.3 | 8.9 | 176.2 | 36.1 | -36.2 | 0 | 0 | 0 | 114.1 | L22 | P20-L22 PolarHBondContact O-N 3.31Š| ||
| 21 | L | 49.1 | Very low | 63.8 | Low | 107 Ų | 107 | 80.7 Ų | 80.7 | 56% | 0.56 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 21.4 | -171.5 | -113.3 | 155.6 | 0 | 0 | 0 | 116.5 | S19 | S19-L21 VanDerWaalsContact C-N 3.29Å; S19-L21 PolarHBondContact O-N 3.36Å |
| 22 | L | 51.3 | Low | 63.7 | Low | 58 Ų | 58 | 83.2 Ų | 83.2 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2.5 | -177.1 | -129.5 | 137.6 | 0 | 0 | 0 | 113.4 | Y15 T16 P20 | Y15-L22 HydrophobicContact CD1-CD1 3.86Å; Y15-L22 HydrophobicContact CE1-CD1 4.12Å; T16-L22 HydrophobicContact CG2-CD1 3.74Å; P20-L22 PolarHBondContact O-N 3.31Å |
| 23 | E | 51.6 | Low | 64.2 | Low | 182 Ų | 182 | 82.6 Ų | 82.6 | 85% | 0.85 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -86.3 | -19.7 | 172.1 | -62.7 | -168.1 | 148.2 | 0 | 0 | 113 | ||
| 24 | D | 48.1 | Very low | 64.7 | Low | 115 Ų | 115 | 80.6 Ų | 80.6 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -87.9 | 114.5 | 176.3 | -109.8 | -37.8 | 0 | 0 | 0 | 110.9 | S26 | D24-S26 PolarHBondContact O-N 3.38Š|
| 25 | N | 51.8 | Low | 65.4 | Low | 121 Ų | 121 | 78.9 Ų | 78.9 | 65% | 0.647 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 23.9 | -175.7 | -64.3 | -50 | 0 | 0 | 0 | 114.5 | ||
| 26 | S | 55 | Low | 66.4 | Low | 94 Ų | 94 | 78.1 Ų | 78.1 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -9.9 | -166.2 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | D24 | D24-S26 PolarHBondContact O-N 3.38Š|
| 27 | L | 59.4 | Low | 67.6 | Low | 115 Ų | 115 | 75.3 Ų | 75.3 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | trans | -132.9 | 115.3 | -171.6 | -147.8 | 81.7 | 0 | 0 | 0 | 113.5 | V29 | L27-V29 PolarHBondContact O-N 2.89Š| ||
| 28 | S | 71.7 | Confident | 69.3 | Low | 28 Ų | 28 | 66.9 Ų | 66.9 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | trans | -69.6 | 116.3 | 169.6 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | Y31 L32 | S28-Y31 WeakPolarHBondContact O-CB 3.17Å; S28-Y31 PolarHBondContact O-N 3.35Å; S28-Y31 PolarHBondContact OG-N 3.4Å; S28-L32 PolarHBondContact O-N 2.93Å | ||
| 29 | V | 81.2 | Confident | 71.3 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.3 | -31.1 | 175.8 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | Y15 L27 Y31 L32 L33 L411 | Y15-V29 HydrophobicContact CD1-CG2 4.4Å; Y15-V29 HydrophobicContact CD2-CG1 4.19Å; Y15-V29 HydrophobicContact CE1-CG2 4.14Å; Y15-V29 HydrophobicContact CG-CG1 4.25Å; L27-V29 PolarHBondContact O-N 2.89Å; V29-Y31 VanDerWaalsContact C-N 3.29Å; V29-Y31 PolarHBondContact O-N 3.22Å; V29-L32 WeakPolarHBondContact O-CB 3.46Å; V29-L32 PolarHBondContact O-N 2.97Å; V29-L32 VanDerWaalsContact O-N 3.12Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.45Å; V29-L411 CarbonylContact C-O 3.54Å; V29-L411 WeakPolarHBondContact CA-O 3.33Å; V29-L411 HydrophobicContact CB-CB 4.15Å; V29-L411 HydrophobicContact CB-CD2 3.98Å; V29-L411 WeakPolarHBondContact CB-O 3.31Å; V29-L411 HydrophobicContact CG1-CD2 3.9Å; V29-L411 HydrophobicContact CG2-CD2 4.43Å; V29-L411 PolarHBondContact N-O 3.29Å |
| 30 | E | 85.4 | Confident | 73.4 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.023 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 172.6 | -64.7 | -165.8 | 139.9 | 0 | 0 | 111.9 | L32 L33 D34 F405 T406 L411 N412 | E30-L32 PolarHBondContact O-N 3.37Å; E30-L33 PolarHBondContact O-N 2.84Å; E30-D34 WeakPolarHBondContact O-CB 3.2Å; E30-D34 PolarHBondContact O-N 2.74Å; E30-F405 WeakPolarHBondContact OE2-CA 3.37Å; E30-T406 WeakPolarHBondContact OE1-CB 3.1Å; E30-T406 PolarHBondContact OE1-N 2.97Å; E30-T406 PolarHBondContact OE1-OG1 2.89Å; E30-T406 PolarHBondContact OE2-N 3.41Å; E30-L411 HydrophobicContact CG-CB 3.74Å; E30-L411 PolarHBondContact N-O 2.98Å; E30-N412 HydrophobicContact CG-CB 4.48Å; E30-N412 WeakPolarHBondContact OE2-CB 3.31Å |
| 31 | Y | 85.7 | Confident | 75.3 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 172.2 | -170.2 | -81.5 | 0 | 0 | 0 | 112.6 | S28 V29 T35 I401 G402 | S28-Y31 WeakPolarHBondContact O-CB 3.17Å; S28-Y31 PolarHBondContact O-N 3.35Å; S28-Y31 PolarHBondContact OG-N 3.4Å; V29-Y31 VanDerWaalsContact C-N 3.29Å; V29-Y31 PolarHBondContact O-N 3.22Å; Y31-T35 WeakPolarHBondContact O-CB 3.05Å; Y31-T35 PolarHBondContact O-N 2.92Å; Y31-T35 PolarHBondContact O-OG1 3.45Å; Y31-I401 HydrophobicContact CD1-CG2 4.14Å; Y31-I401 HydrophobicContact CD2-CG2 4.3Å; Y31-I401 HydrophobicContact CE1-CG2 3.73Å; Y31-I401 HydrophobicContact CE2-CG2 3.9Å; Y31-I401 HydrophobicContact CG-CG2 4.39Å; Y31-G402 VanDerWaalsContact CD2-CA 3.45Å |
| 32 | L | 85.3 | Confident | 77 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 175.8 | 179.3 | 62 | 0 | 0 | 0 | 112.1 | Y15 S28 V29 E30 T35 I36 | Y15-L32 HydrophobicContact CD2-CD2 4.39Å; Y15-L32 HydrophobicContact CE2-CD2 3.81Å; S28-L32 PolarHBondContact O-N 2.93Å; V29-L32 WeakPolarHBondContact O-CB 3.46Å; V29-L32 PolarHBondContact O-N 2.97Å; V29-L32 VanDerWaalsContact O-N 3.12Å; E30-L32 PolarHBondContact O-N 3.37Å; L32-T35 WeakPolarHBondContact O-CB 3.43Å; L32-T35 PolarHBondContact O-N 2.94Å; L32-I36 HydrophobicContact CD1-CD1 4.35Å; L32-I36 HydrophobicContact CG-CD1 4.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 3.04Å; L32-I36 VanDerWaalsContact O-N 3.09Å |
| 33 | L | 89.1 | Confident | 78.6 | Confident | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -47.7 | 175 | -66 | 175.3 | 0 | 0 | 0 | 111.1 | L11 V29 E30 T35 I36 V37 I68 W72 | L11-L33 HydrophobicContact CD1-CD1 4.32Å; L11-L33 HydrophobicContact CD2-CD1 4.11Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.45Å; E30-L33 PolarHBondContact O-N 2.84Å; L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 2.94Å; L33-I36 PolarHBondContact O-N 2.89Å; L33-V37 WeakPolarHBondContact O-CG2 3.16Å; L33-V37 PolarHBondContact O-N 3.32Å; L33-I68 HydrophobicContact CB-CG2 4.41Å; L33-I68 HydrophobicContact CD2-CD1 3.7Å; L33-I68 HydrophobicContact CD2-CG1 3.93Å; L33-I68 HydrophobicContact CD2-CG2 4.34Å; L33-W72 HydrophobicContact CB-CZ2 4.15Å |
| 34 | D | 89.6 | Confident | 80 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.3 | -46.3 | 171.9 | -96.6 | 3.4 | 0 | 0 | 0 | 111.4 | E30 I36 V37 C38 W72 Q149 I401 G402 F403 T404 | E30-D34 WeakPolarHBondContact O-CB 3.2Å; E30-D34 PolarHBondContact O-N 2.74Å; D34-I36 VanDerWaalsContact C-N 3.33Å; D34-I36 PolarHBondContact O-N 3.12Å; D34-V37 PolarHBondContact O-N 3.19Å; D34-C38 VanDerWaalsContact O-CB 3.25Å; D34-C38 WeakPolarHBondContact O-CB 3.08Å; D34-C38 PolarHBondContact O-N 3.29Å; D34-C38 PolarHBondContact O-SG 3.06Å; D34-W72 WeakPolarHBondContact OD1-CH2 3.45Å; D34-W72 WeakPolarHBondContact OD1-CZ2 3.23Å; D34-Q149 PolarHBondContact OD1-NE2 3.26Å; D34-Q149 PolarHBondContact OD2-NE2 3.41Å; D34-Q149 VanDerWaalsContact OD2-NE2 3.09Å; D34-I401 HydrophobicContact CB-CG2 4.27Å; D34-G402 WeakPolarHBondContact OD2-CA 3.37Å; D34-G402 PolarHBondContact OD2-N 2.89Å; D34-F403 PolarHBondContact OD2-N 2.87Å; D34-T404 VanDerWaalsContact OD1-CB 3.26Å; D34-T404 WeakPolarHBondContact OD1-CB 3.35Å; D34-T404 PolarHBondContact OD1-OG1 3.11Å; D34-T404 PolarHBondContact OD2-N 3.47Å |
| 35 | T | 89.9 | Confident | 81.4 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | Y31 L32 L33 L39 I401 | Y31-T35 WeakPolarHBondContact O-CB 3.05Å; Y31-T35 PolarHBondContact O-N 2.92Å; Y31-T35 PolarHBondContact O-OG1 3.45Å; L32-T35 WeakPolarHBondContact O-CB 3.43Å; L32-T35 PolarHBondContact O-N 2.94Å; L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 2.94Å; T35-L39 HydrophobicContact CG2-CD1 3.83Å; T35-L39 VanDerWaalsContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CB 3.16Å; T35-L39 WeakPolarHBondContact O-CD1 3.48Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.1Å; T35-L39 VanDerWaalsContact O-N 3.11Å; T35-I401 HydrophobicContact CG2-CD1 4.49Å; T35-I401 WeakPolarHBondContact OG1-CG2 3.29Å |
| 36 | I | 90 | Very high | 82.3 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | -178.7 | -67.2 | 164.8 | 0 | 0 | 0 | 111.3 | L32 L33 D34 S40 V61 V65 I68 | L32-I36 HydrophobicContact CD1-CD1 4.35Å; L32-I36 HydrophobicContact CG-CD1 4.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 3.04Å; L32-I36 VanDerWaalsContact O-N 3.09Å; L33-I36 PolarHBondContact O-N 2.89Å; D34-I36 VanDerWaalsContact C-N 3.33Å; D34-I36 PolarHBondContact O-N 3.12Å; I36-S40 WeakPolarHBondContact O-CB 3.26Å; I36-S40 PolarHBondContact O-N 3.42Å; I36-S40 VanDerWaalsContact O-N 3.11Å; I36-V61 HydrophobicContact CG2-CB 4.24Å; I36-V61 HydrophobicContact CG2-CG1 4.48Å; I36-V65 HydrophobicContact CG2-CG2 3.85Å; I36-I68 HydrophobicContact CG2-CD1 4.44Å |
| 37 | V | 90.8 | Very high | 83 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.8 | -48.3 | -178.7 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L33 D34 L39 S40 Y41 V65 I68 W72 | L33-V37 WeakPolarHBondContact O-CG2 3.16Å; L33-V37 PolarHBondContact O-N 3.32Å; D34-V37 PolarHBondContact O-N 3.19Å; V37-L39 PolarHBondContact O-N 3.06Å; V37-S40 WeakPolarHBondContact O-CA 3.21Å; V37-S40 VanDerWaalsContact O-CB 3.29Å; V37-S40 WeakPolarHBondContact O-CB 3.37Å; V37-S40 PolarHBondContact O-N 3.45Å; V37-Y41 HydrophobicContact CG1-CD2 4.14Å; V37-Y41 HydrophobicContact CG1-CE1 4.06Å; V37-Y41 HydrophobicContact CG1-CE2 3.6Å; V37-Y41 PolarHBondContact O-N 3.02Å; V37-V65 HydrophobicContact CG2-CG1 4.41Å; V37-I68 HydrophobicContact CG2-CB 4.32Å; V37-I68 HydrophobicContact CG2-CG2 3.82Å; V37-W72 HydrophobicContact CB-CH2 3.73Å; V37-W72 HydrophobicContact CB-CZ2 4.49Å; V37-W72 HydrophobicContact CB-CZ3 4.08Å; V37-W72 HydrophobicContact CG1-CH2 3.94Å; V37-W72 HydrophobicContact CG1-CZ3 3.76Å; V37-W72 HydrophobicContact CG2-CH2 3.75Å; V37-W72 HydrophobicContact CG2-CZ2 4.09Å; V37-W72 HydrophobicContact CG2-CZ3 4.12Å |
| 38 | C | 90.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -180 | -72.9 | 0 | 0 | 0 | 0 | 112.8 | D34 S40 Y41 E42 Q397 I401 | D34-C38 VanDerWaalsContact O-CB 3.25Å; D34-C38 WeakPolarHBondContact O-CB 3.08Å; D34-C38 PolarHBondContact O-N 3.29Å; D34-C38 PolarHBondContact O-SG 3.06Å; C38-S40 VanDerWaalsContact C-N 3.32Å; C38-S40 PolarHBondContact O-N 3.4Å; C38-Y41 PolarHBondContact O-N 3.16Å; C38-E42 WeakPolarHBondContact O-CB 3.39Å; C38-E42 PolarHBondContact O-N 2.91Å; C38-Q397 HydrophobicContact CB-CB 3.99Å; C38-Q397 WeakPolarHBondContact CB-O 3.27Å; C38-Q397 WeakPolarHBondContact O-CB 3.33Å; C38-Q397 PolarHBondContact SG-O 2.85Å; C38-I401 HydrophobicContact CB-CD1 4.25Å; C38-I401 HydrophobicContact CB-CG1 3.73Å |
| 39 | L | 89.2 | Confident | 83.4 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -32.9 | 172.1 | -71 | 173.8 | 0 | 0 | 0 | 112.4 | T35 V37 C43 F57 V398 | T35-L39 HydrophobicContact CG2-CD1 3.83Å; T35-L39 VanDerWaalsContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CB 3.16Å; T35-L39 WeakPolarHBondContact O-CD1 3.48Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.1Å; T35-L39 VanDerWaalsContact O-N 3.11Å; V37-L39 PolarHBondContact O-N 3.06Å; L39-C43 WeakPolarHBondContact O-CB 3.13Å; L39-C43 PolarHBondContact O-N 3.43Å; L39-C43 PolarHBondContact O-SG 2.86Å; L39-F57 HydrophobicContact CB-CE1 3.71Å; L39-F57 HydrophobicContact CB-CZ 3.87Å; L39-F57 HydrophobicContact CD1-CZ 4.31Å; L39-V398 HydrophobicContact CD2-CG2 4.22Å |
| 40 | S | 88.6 | Confident | 83 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -46 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | I36 V37 C38 C43 K44 Y58 | I36-S40 WeakPolarHBondContact O-CB 3.26Å; I36-S40 PolarHBondContact O-N 3.42Å; I36-S40 VanDerWaalsContact O-N 3.11Å; V37-S40 WeakPolarHBondContact O-CA 3.21Å; V37-S40 VanDerWaalsContact O-CB 3.29Å; V37-S40 WeakPolarHBondContact O-CB 3.37Å; V37-S40 PolarHBondContact O-N 3.45Å; C38-S40 VanDerWaalsContact C-N 3.32Å; C38-S40 PolarHBondContact O-N 3.4Å; S40-C43 PolarHBondContact O-N 2.67Å; S40-K44 WeakPolarHBondContact O-CB 3.43Å; S40-K44 PolarHBondContact O-N 2.99Å; S40-Y58 WeakPolarHBondContact OG-CD2 3.32Å |
| 41 | Y | 87.8 | Confident | 82.8 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 172.9 | -66.3 | -23.6 | 0 | 0 | 0 | 111.7 | V37 C38 C43 K44 L45 E69 E151 Q397 | V37-Y41 HydrophobicContact CG1-CD2 4.14Å; V37-Y41 HydrophobicContact CG1-CE1 4.06Å; V37-Y41 HydrophobicContact CG1-CE2 3.6Å; V37-Y41 PolarHBondContact O-N 3.02Å; C38-Y41 PolarHBondContact O-N 3.16Å; Y41-C43 VanDerWaalsContact C-N 3.34Å; Y41-C43 PolarHBondContact O-N 2.74Å; Y41-K44 WeakPolarHBondContact O-CB 3.18Å; Y41-K44 PolarHBondContact O-N 2.74Å; Y41-K44 VanDerWaalsContact O-N 3.14Å; Y41-L45 PolarHBondContact O-N 3.31Å; Y41-E69 WeakPolarHBondContact CE1-OE1 3.17Å; Y41-E151 HydrophobicContact CE1-CB 4.36Å; Y41-E151 HydrophobicContact CE2-CB 4.39Å; Y41-Q397 HydrophobicContact CD2-CG 4.35Å |
| 42 | E | 86.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.1 | -161 | 76.7 | -147.1 | 0 | 0 | 111.6 | C38 K44 L45 H48 G395 C396 Q397 V398 | C38-E42 WeakPolarHBondContact O-CB 3.39Å; C38-E42 PolarHBondContact O-N 2.91Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.89Å; E42-L45 HydrophobicContact CG-CD1 4.43Å; E42-L45 WeakPolarHBondContact O-CB 3.15Å; E42-L45 PolarHBondContact O-N 2.92Å; E42-L45 WeakPolarHBondContact OE1-CD1 3.44Å; E42-H48 PolarHBondContact O-CD2 2.93Å; E42-G395 VanDerWaalsContact CD-N 3.29Å; E42-G395 PolarHBondContact OE1-N 2.96Å; E42-G395 WeakPolarHBondContact OE2-CA 3.48Å; E42-G395 PolarHBondContact OE2-N 2.67Å; E42-C396 PolarHBondContact OE2-N 3.32Å; E42-C396 VanDerWaalsContact OE2-N 3.13Å; E42-Q397 PolarHBondContact OE2-N 3.33Å; E42-V398 HydrophobicContact CG-CG2 4.28Å |
| 43 | C | 84.5 | Confident | 82.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -26.6 | 173.5 | -71 | 0 | 0 | 0 | 0 | 114 | L39 S40 Y41 L45 C54 | L39-C43 WeakPolarHBondContact O-CB 3.13Å; L39-C43 PolarHBondContact O-N 3.43Å; L39-C43 PolarHBondContact O-SG 2.86Å; S40-C43 PolarHBondContact O-N 2.67Å; Y41-C43 VanDerWaalsContact C-N 3.34Å; Y41-C43 PolarHBondContact O-N 2.74Å; C43-L45 VanDerWaalsContact C-N 3.34Å; C43-C54 HydrophobicContact CB-CB 4.04Å |
| 44 | K | 79.8 | Confident | 82.2 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.8 | -23.4 | 176.7 | 177 | -169.9 | 175.1 | -165.4 | 0 | 112.2 | S40 Y41 E42 Y58 E151 | S40-K44 WeakPolarHBondContact O-CB 3.43Å; S40-K44 PolarHBondContact O-N 2.99Å; Y41-K44 WeakPolarHBondContact O-CB 3.18Å; Y41-K44 PolarHBondContact O-N 2.74Å; Y41-K44 VanDerWaalsContact O-N 3.14Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.89Å; K44-Y58 HydrophobicContact CB-CD2 4.49Å; K44-Y58 HydrophobicContact CB-CE2 4.21Å; K44-E151 WeakPolarHBondContact CD-OE1 3.12Å; K44-E151 VanDerWaalsContact CE-OE1 3.26Å; K44-E151 WeakPolarHBondContact CE-OE1 3.17Å; K44-E151 IonicContact NZ-OE1 3.29Å; K44-E151 PolarHBondContact NZ-OE1 2.96Å; K44-E151 IonicContact NZ-OE2 3.85Å; K44-E151 PolarHBondContact NZ-OE2 3.2Å |
| 45 | L | 78.4 | Confident | 82 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -60 | 147.1 | -179.7 | -66.5 | 175.1 | 0 | 0 | 0 | 112.4 | Y41 E42 C43 Q47 H48 K49 L389 | Y41-L45 PolarHBondContact O-N 3.31Å; E42-L45 HydrophobicContact CG-CD1 4.43Å; E42-L45 WeakPolarHBondContact O-CB 3.15Å; E42-L45 PolarHBondContact O-N 2.92Å; E42-L45 WeakPolarHBondContact OE1-CD1 3.44Å; C43-L45 VanDerWaalsContact C-N 3.34Å; L45-Q47 HydrophobicContact CB-CG 4.37Å; L45-Q47 PolarHBondContact O-N 3.18Å; L45-H48 PolarHBondContact O-N 3.32Å; L45-K49 PolarHBondContact O-N 3.19Å; L45-L389 HydrophobicContact CD2-CB 4.05Å; L45-L389 HydrophobicContact CD2-CD1 4.17Å |
| 46 | P | 70.2 | Confident | 81.9 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.3 | -175.6 | -27.7 | 35.9 | 0 | 0 | 0 | 115.1 | ||
| 47 | Q | 69.6 | Low | 81.9 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.5 | 176.4 | 59.8 | -100.2 | 23.9 | 0 | 0 | 114.5 | L45 P391 | L45-Q47 HydrophobicContact CB-CG 4.37Å; L45-Q47 PolarHBondContact O-N 3.18Å; Q47-P391 HydrophobicContact CB-CB 4.41Å |
| 48 | H | 72 | Confident | 81.9 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -18.1 | -173.5 | -68.8 | -61 | 0 | 0 | 0 | 113 | E42 L45 N50 E51 C54 | E42-H48 PolarHBondContact O-CD2 2.93Å; L45-H48 PolarHBondContact O-N 3.32Å; H48-N50 PolarHBondContact O-N 2.79Å; H48-E51 IonicContact CE1-OE2 2.96Å; H48-E51 IonicContact CG-OE2 2.65Å; H48-E51 IonicContact ND1-OE2 3.47Å; H48-E51 PolarHBondContact ND1-OE2 2.97Å; H48-E51 PolarHBondContact O-N 3.38Å; H48-C54 HydrophobicContact CB-CB 4.25Å; H48-C54 WeakPolarHBondContact O-CB 3.44Å |
| 49 | K | 67.1 | Low | 81.9 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -16.7 | 179.8 | -171 | 170.1 | -178 | 175.4 | 0 | 115.6 | L45 I55 | L45-K49 PolarHBondContact O-N 3.19Å; K49-I55 WeakPolarHBondContact O-CD1 3.46Å; K49-I55 VanDerWaalsContact O-CG1 3.27Å; K49-I55 WeakPolarHBondContact O-CG1 3.41Å |
| 50 | N | 73.9 | Confident | 81.9 | Confident | 142 Ų | 142 | 74.3 Ų | 74.3 | 76% | 0.759 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -9.7 | 176.7 | -67.9 | -30.7 | 0 | 0 | 0 | 114 | H48 | H48-N50 PolarHBondContact O-N 2.79Š|
| 51 | E | 80.4 | Confident | 82 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | trans | -82.1 | 120.9 | -176.9 | -66.3 | -176.9 | 143.2 | 0 | 0 | 110.3 | H48 N53 C54 I55 | H48-E51 IonicContact CE1-OE2 2.96Å; H48-E51 IonicContact CG-OE2 2.65Å; H48-E51 IonicContact ND1-OE2 3.47Å; H48-E51 PolarHBondContact ND1-OE2 2.97Å; H48-E51 PolarHBondContact O-N 3.38Å; E51-N53 PolarHBondContact O-N 2.87Å; E51-C54 HydrophobicContact CB-CB 4.14Å; E51-C54 PolarHBondContact O-N 3.09Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.16Å | ||
| 52 | R | 79.8 | Confident | 82.2 | Confident | 220 Ų | 220 | 78.2 Ų | 78.2 | 83% | 0.83 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -52.4 | -36.3 | -171.6 | -173.1 | -179.9 | -178 | -171.8 | 0.5 | 113.6 | K56 | R52-K56 WeakPolarHBondContact O-CB 3.42Å; R52-K56 PolarHBondContact O-N 3.08Å |
| 53 | N | 83.8 | Confident | 82.4 | Confident | 130 Ų | 130 | 84.3 Ų | 84.3 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -74.9 | -42.8 | 179.7 | -67.7 | -4.8 | 0 | 0 | 0 | 111.7 | E51 I55 K56 F57 | E51-N53 PolarHBondContact O-N 2.87Å; N53-I55 PolarHBondContact O-N 3.12Å; N53-K56 PolarHBondContact O-N 3.2Å; N53-F57 WeakPolarHBondContact O-CB 3.22Å; N53-F57 PolarHBondContact O-N 2.91Å |
| 54 | C | 84.6 | Confident | 82.6 | Confident | 22 Ų | 22 | 88.8 Ų | 88.8 | 15% | 0.149 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | C43 H48 E51 F57 Y58 | C43-C54 HydrophobicContact CB-CB 4.04Å; H48-C54 HydrophobicContact CB-CB 4.25Å; H48-C54 WeakPolarHBondContact O-CB 3.44Å; E51-C54 HydrophobicContact CB-CB 4.14Å; E51-C54 PolarHBondContact O-N 3.09Å; C54-F57 PolarHBondContact O-N 2.98Å; C54-Y58 WeakPolarHBondContact O-CB 3.27Å; C54-Y58 PolarHBondContact O-N 2.93Å |
| 55 | I | 85 | Confident | 83.1 | Confident | 67 Ų | 67 | 85 Ų | 85 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.3 | -61.3 | 165.1 | 0 | 0 | 0 | 111 | K49 E51 N53 N59 | K49-I55 WeakPolarHBondContact O-CD1 3.46Å; K49-I55 VanDerWaalsContact O-CG1 3.27Å; K49-I55 WeakPolarHBondContact O-CG1 3.41Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.16Å; N53-I55 PolarHBondContact O-N 3.12Å; I55-N59 VanDerWaalsContact O-CB 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.36Å; I55-N59 VanDerWaalsContact O-CG 3.26Å; I55-N59 PolarHBondContact O-N 3.15Å; I55-N59 PolarHBondContact O-ND2 2.69Å |
| 56 | K | 87.9 | Confident | 83.7 | Confident | 163 Ų | 163 | 88.2 Ų | 88.2 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 178.6 | -172.5 | -173.7 | 177.4 | -169.9 | 0 | 111.4 | R52 N53 A60 | R52-K56 WeakPolarHBondContact O-CB 3.42Å; R52-K56 PolarHBondContact O-N 3.08Å; N53-K56 PolarHBondContact O-N 3.2Å; K56-A60 VanDerWaalsContact O-CB 3.3Å; K56-A60 WeakPolarHBondContact O-CB 3.49Å; K56-A60 PolarHBondContact O-N 2.7Å; K56-A60 VanDerWaalsContact O-N 3.13Å |
| 57 | F | 90.8 | Very high | 84.5 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -58 | 176.4 | 176.9 | -97.1 | 0 | 0 | 0 | 110.8 | L39 N53 C54 N59 A60 V61 | L39-F57 HydrophobicContact CB-CE1 3.71Å; L39-F57 HydrophobicContact CB-CZ 3.87Å; L39-F57 HydrophobicContact CD1-CZ 4.31Å; N53-F57 WeakPolarHBondContact O-CB 3.22Å; N53-F57 PolarHBondContact O-N 2.91Å; C54-F57 PolarHBondContact O-N 2.98Å; F57-N59 VanDerWaalsContact C-N 3.34Å; F57-N59 PolarHBondContact O-N 3.03Å; F57-A60 WeakPolarHBondContact O-CB 3.19Å; F57-A60 PolarHBondContact O-N 3.13Å; F57-V61 HydrophobicContact CD1-CG2 4.11Å; F57-V61 HydrophobicContact CD2-CG1 4.02Å; F57-V61 HydrophobicContact CE1-CG1 4.18Å; F57-V61 HydrophobicContact CE1-CG2 3.8Å; F57-V61 HydrophobicContact CE2-CG1 3.64Å; F57-V61 HydrophobicContact CG-CG1 4.45Å; F57-V61 HydrophobicContact CZ-CG1 3.74Å; F57-V61 HydrophobicContact CZ-CG2 4.15Å; F57-V61 WeakPolarHBondContact O-CG2 3.25Å; F57-V61 PolarHBondContact O-N 3.21Å |
| 58 | Y | 89.7 | Confident | 85.5 | Confident | 56 Ų | 56 | 85.3 Ų | 85.3 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.5 | -50.4 | 179.6 | 176.9 | -100.4 | 0 | 0 | 0 | 111.8 | S40 K44 C54 A60 V61 K62 | S40-Y58 WeakPolarHBondContact OG-CD2 3.32Å; K44-Y58 HydrophobicContact CB-CD2 4.49Å; K44-Y58 HydrophobicContact CB-CE2 4.21Å; C54-Y58 WeakPolarHBondContact O-CB 3.27Å; C54-Y58 PolarHBondContact O-N 2.93Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.9Å; Y58-V61 PolarHBondContact O-N 3.02Å; Y58-K62 HydrophobicContact CE1-CD 4.2Å; Y58-K62 WeakPolarHBondContact O-CA 3.29Å; Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.42Å |
| 59 | N | 89.6 | Confident | 86.3 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.6 | -29.2 | 179.5 | -70.9 | -18.6 | 0 | 0 | 0 | 113.5 | I55 F57 | I55-N59 VanDerWaalsContact O-CB 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.36Å; I55-N59 VanDerWaalsContact O-CG 3.26Å; I55-N59 PolarHBondContact O-N 3.15Å; I55-N59 PolarHBondContact O-ND2 2.69Å; F57-N59 VanDerWaalsContact C-N 3.34Å; F57-N59 PolarHBondContact O-N 3.03Å |
| 60 | A | 89.7 | Confident | 87.3 | Confident | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -78 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K56 F57 Y58 | K56-A60 VanDerWaalsContact O-CB 3.3Å; K56-A60 WeakPolarHBondContact O-CB 3.49Å; K56-A60 PolarHBondContact O-N 2.7Å; K56-A60 VanDerWaalsContact O-N 3.13Å; F57-A60 WeakPolarHBondContact O-CB 3.19Å; F57-A60 PolarHBondContact O-N 3.13Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.9Å |
| 61 | V | 91.6 | Very high | 88.1 | Confident | 20 Ų | 20 | 77.4 Ų | 77.4 | 12% | 0.121 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -82 | -23.2 | -178.7 | -56 | 0 | 0 | 0 | 0 | 113.3 | I36 F57 Y58 K63 Y64 V65 | I36-V61 HydrophobicContact CG2-CB 4.24Å; I36-V61 HydrophobicContact CG2-CG1 4.48Å; F57-V61 HydrophobicContact CD1-CG2 4.11Å; F57-V61 HydrophobicContact CD2-CG1 4.02Å; F57-V61 HydrophobicContact CE1-CG1 4.18Å; F57-V61 HydrophobicContact CE1-CG2 3.8Å; F57-V61 HydrophobicContact CE2-CG1 3.64Å; F57-V61 HydrophobicContact CG-CG1 4.45Å; F57-V61 HydrophobicContact CZ-CG1 3.74Å; F57-V61 HydrophobicContact CZ-CG2 4.15Å; F57-V61 WeakPolarHBondContact O-CG2 3.25Å; F57-V61 PolarHBondContact O-N 3.21Å; Y58-V61 PolarHBondContact O-N 3.02Å; V61-K63 PolarHBondContact O-N 3.36Å; V61-K63 VanDerWaalsContact O-N 3.16Å; V61-Y64 WeakPolarHBondContact O-CA 3.45Å; V61-Y64 WeakPolarHBondContact O-CB 3.33Å; V61-Y64 PolarHBondContact O-N 2.84Å; V61-V65 HydrophobicContact CB-CG2 4.18Å; V61-V65 HydrophobicContact CG2-CG2 3.91Å; V61-V65 PolarHBondContact O-N 2.92Å |
| 62 | K | 92.1 | Very high | 88.5 | Confident | 80 Ų | 80 | 74.2 Ų | 74.2 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -48 | -50.6 | -171.1 | 175.1 | 169.2 | -178.1 | 171.7 | 0 | 113.8 | Y58 Y64 V65 D66 | Y58-K62 HydrophobicContact CE1-CD 4.2Å; Y58-K62 WeakPolarHBondContact O-CA 3.29Å; Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.42Å; K62-Y64 PolarHBondContact O-N 3.38Å; K62-Y64 VanDerWaalsContact O-N 3.1Å; K62-V65 PolarHBondContact O-N 3Å; K62-V65 VanDerWaalsContact O-N 3.08Å; K62-D66 WeakPolarHBondContact CE-OD1 3.42Å; K62-D66 WeakPolarHBondContact CE-OD2 3.27Å; K62-D66 WeakPolarHBondContact CG-OD1 3.31Å; K62-D66 WeakPolarHBondContact CG-OD2 3.38Å; K62-D66 WeakPolarHBondContact O-CB 3.31Å; K62-D66 PolarHBondContact O-N 3.24Å |
| 63 | K | 90.1 | Very high | 89.1 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.6 | -22.4 | -178.9 | 73 | 174.2 | -172.8 | 177.4 | 0 | 113.8 | V61 | V61-K63 PolarHBondContact O-N 3.36Å; V61-K63 VanDerWaalsContact O-N 3.16Å |
| 64 | Y | 89.5 | Confident | 89.4 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -86.2 | -43.8 | 174.5 | -58.5 | -84 | 0 | 0 | 0 | 110 | V61 K62 K67 I68 | V61-Y64 WeakPolarHBondContact O-CA 3.45Å; V61-Y64 WeakPolarHBondContact O-CB 3.33Å; V61-Y64 PolarHBondContact O-N 2.84Å; K62-Y64 PolarHBondContact O-N 3.38Å; K62-Y64 VanDerWaalsContact O-N 3.1Å; Y64-K67 CarbonylContact O-C 3.44Å; Y64-K67 WeakPolarHBondContact O-CA 3.13Å; Y64-K67 WeakPolarHBondContact O-CB 3.46Å; Y64-K67 PolarHBondContact O-N 3.08Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; Y64-I68 WeakPolarHBondContact O-CG1 3.27Å; Y64-I68 PolarHBondContact O-N 2.89Å |
| 65 | V | 90.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -53 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | I36 V37 V61 K62 K67 I68 E69 | I36-V65 HydrophobicContact CG2-CG2 3.85Å; V37-V65 HydrophobicContact CG2-CG1 4.41Å; V61-V65 HydrophobicContact CB-CG2 4.18Å; V61-V65 HydrophobicContact CG2-CG2 3.91Å; V61-V65 PolarHBondContact O-N 2.92Å; K62-V65 PolarHBondContact O-N 3Å; K62-V65 VanDerWaalsContact O-N 3.08Å; V65-K67 PolarHBondContact O-N 3.06Å; V65-I68 PolarHBondContact O-N 2.84Å; V65-E69 HydrophobicContact CG1-CG 4.39Å; V65-E69 WeakPolarHBondContact CG1-OE1 3.21Å; V65-E69 WeakPolarHBondContact O-CB 3.4Å; V65-E69 WeakPolarHBondContact O-CG 3.36Å; V65-E69 PolarHBondContact O-N 2.77Å |
| 66 | D | 89.2 | Confident | 89.9 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -52.5 | -30.1 | 174.8 | -63.7 | -15.6 | 0 | 0 | 0 | 111.6 | K62 | K62-D66 WeakPolarHBondContact CE-OD1 3.42Å; K62-D66 WeakPolarHBondContact CE-OD2 3.27Å; K62-D66 WeakPolarHBondContact CG-OD1 3.31Å; K62-D66 WeakPolarHBondContact CG-OD2 3.38Å; K62-D66 WeakPolarHBondContact O-CB 3.31Å; K62-D66 PolarHBondContact O-N 3.24Å |
| 67 | K | 88.2 | Confident | 90 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -85.9 | -40.6 | 178 | -175.5 | 170.8 | 177.5 | 175.5 | 0 | 113.1 | E10 L14 Y64 V65 S70 C71 | E10-K67 VanDerWaalsContact CG-CE 3.48Å; E10-K67 WeakPolarHBondContact OE1-CE 3.17Å; E10-K67 IonicContact OE1-NZ 3.8Å; E10-K67 PolarHBondContact OE1-NZ 3.01Å; L14-K67 HydrophobicContact CD1-CD 3.93Å; L14-K67 HydrophobicContact CD1-CG 4.18Å; L14-K67 HydrophobicContact CD2-CD 4.05Å; L14-K67 HydrophobicContact CG-CD 4.48Å; Y64-K67 CarbonylContact O-C 3.44Å; Y64-K67 WeakPolarHBondContact O-CA 3.13Å; Y64-K67 WeakPolarHBondContact O-CB 3.46Å; Y64-K67 PolarHBondContact O-N 3.08Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; V65-K67 PolarHBondContact O-N 3.06Å; K67-S70 WeakPolarHBondContact O-CB 3.26Å; K67-S70 PolarHBondContact O-N 2.74Å; K67-S70 VanDerWaalsContact O-N 3.11Å; K67-S70 PolarHBondContact O-OG 2.75Å; K67-C71 PolarHBondContact O-N 3.08Å; K67-C71 PolarHBondContact O-SG 2.88Å; K67-C71 VanDerWaalsContact O-SG 3.41Å |
| 68 | I | 89.5 | Confident | 90.2 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.1 | -68.4 | 160.7 | 0 | 0 | 0 | 109.3 | L11 L33 I36 V37 Y64 V65 S70 C71 W72 | L11-I68 HydrophobicContact CD2-CB 4.45Å; L11-I68 HydrophobicContact CD2-CG1 4.15Å; L11-I68 HydrophobicContact CD2-CG2 4.39Å; L33-I68 HydrophobicContact CB-CG2 4.41Å; L33-I68 HydrophobicContact CD2-CD1 3.7Å; L33-I68 HydrophobicContact CD2-CG1 3.93Å; L33-I68 HydrophobicContact CD2-CG2 4.34Å; I36-I68 HydrophobicContact CG2-CD1 4.44Å; V37-I68 HydrophobicContact CG2-CB 4.32Å; V37-I68 HydrophobicContact CG2-CG2 3.82Å; Y64-I68 WeakPolarHBondContact O-CG1 3.27Å; Y64-I68 PolarHBondContact O-N 2.89Å; V65-I68 PolarHBondContact O-N 2.84Å; I68-S70 PolarHBondContact O-N 3.23Å; I68-C71 CarbonylContact O-C 3.52Å; I68-C71 WeakPolarHBondContact O-CA 3.35Å; I68-C71 PolarHBondContact O-N 3.01Å; I68-W72 HydrophobicContact CG2-CD2 4.02Å; I68-W72 HydrophobicContact CG2-CG 4.25Å; I68-W72 HydrophobicContact CG2-CZ2 4.03Å; I68-W72 PolarHBondContact O-N 3.47Å |
| 69 | E | 89.1 | Confident | 90.3 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.4 | -36.9 | 172.7 | -70 | 175 | -162.6 | 0 | 0 | 111.9 | Y41 V65 C71 W72 | Y41-E69 WeakPolarHBondContact CE1-OE1 3.17Å; V65-E69 HydrophobicContact CG1-CG 4.39Å; V65-E69 WeakPolarHBondContact CG1-OE1 3.21Å; V65-E69 WeakPolarHBondContact O-CB 3.4Å; V65-E69 WeakPolarHBondContact O-CG 3.36Å; V65-E69 PolarHBondContact O-N 2.77Å; E69-C71 PolarHBondContact O-N 3.12Å; E69-W72 PolarHBondContact O-N 3.27Å |
| 70 | S | 89.1 | Confident | 90.4 | Very high | 60 Ų | 60 | 54 Ų | 54 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -7.3 | 176.5 | 86 | 0 | 0 | 0 | 0 | 115.5 | R2 K67 I68 | R2-S70 PolarHBondContact NH2-O 2.74Å; K67-S70 WeakPolarHBondContact O-CB 3.26Å; K67-S70 PolarHBondContact O-N 2.74Å; K67-S70 VanDerWaalsContact O-N 3.11Å; K67-S70 PolarHBondContact O-OG 2.75Å; I68-S70 PolarHBondContact O-N 3.23Å |
| 71 | C | 89.2 | Confident | 90.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -18.2 | 178 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | R7 E10 L11 K67 I68 E69 | R7-C71 HydrophobicContact CB-CB 4.22Å; R7-C71 VanDerWaalsContact CZ-O 3.27Å; R7-C71 PolarHBondContact NE-O 3.1Å; R7-C71 PolarHBondContact NH2-O 3.2Å; E10-C71 PolarHBondContact OE2-SG 3.26Å; L11-C71 HydrophobicContact CD1-CB 3.81Å; L11-C71 HydrophobicContact CD2-CB 3.86Å; L11-C71 HydrophobicContact CG-CB 3.63Å; K67-C71 PolarHBondContact O-N 3.08Å; K67-C71 PolarHBondContact O-SG 2.88Å; K67-C71 VanDerWaalsContact O-SG 3.41Å; I68-C71 CarbonylContact O-C 3.52Å; I68-C71 WeakPolarHBondContact O-CA 3.35Å; I68-C71 PolarHBondContact O-N 3.01Å; E69-C71 PolarHBondContact O-N 3.12Å |
| 72 | W | 89.9 | Confident | 90 | Very high | 20 Ų | 20 | 58 Ų | 58 | 8% | 0.076 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -73.4 | 155.1 | 174.3 | -83.4 | 3.8 | 0 | 0 | 0 | 113.2 | R7 L33 D34 V37 I68 E69 Q149 | R7-W72 PolarHBondContact NH2-O 3.01Å; L33-W72 HydrophobicContact CB-CZ2 4.15Å; D34-W72 WeakPolarHBondContact OD1-CH2 3.45Å; D34-W72 WeakPolarHBondContact OD1-CZ2 3.23Å; V37-W72 HydrophobicContact CB-CH2 3.73Å; V37-W72 HydrophobicContact CB-CZ2 4.49Å; V37-W72 HydrophobicContact CB-CZ3 4.08Å; V37-W72 HydrophobicContact CG1-CH2 3.94Å; V37-W72 HydrophobicContact CG1-CZ3 3.76Å; V37-W72 HydrophobicContact CG2-CH2 3.75Å; V37-W72 HydrophobicContact CG2-CZ2 4.09Å; V37-W72 HydrophobicContact CG2-CZ3 4.12Å; I68-W72 HydrophobicContact CG2-CD2 4.02Å; I68-W72 HydrophobicContact CG2-CG 4.25Å; I68-W72 HydrophobicContact CG2-CZ2 4.03Å; I68-W72 PolarHBondContact O-N 3.47Å; E69-W72 PolarHBondContact O-N 3.27Å; W72-Q149 HydrophobicContact CH2-CG 4.41Å; W72-Q149 HydrophobicContact CZ3-CG 4.08Å |
| 73 | I | 91.7 | Very high | 89.7 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | trans | -71.2 | 135.2 | 175.9 | -60.9 | 173 | 0 | 0 | 0 | 108.1 | L4 R7 E77 F78 H146 F148 | L4-I73 HydrophobicContact CD1-CD1 4.19Å; L4-I73 HydrophobicContact CD1-CG1 4Å; L4-I73 HydrophobicContact CD2-CD1 4.2Å; R7-I73 VanDerWaalsContact NH2-CA 3.35Å; R7-I73 VanDerWaalsContact NH2-N 3.11Å; I73-E77 WeakPolarHBondContact CA-OE1 3.03Å; I73-F78 HydrophobicContact CG2-CE2 3.66Å; I73-F78 HydrophobicContact CG2-CZ 3.9Å; I73-H146 HydrophobicContact CD1-CB 3.81Å; I73-F148 HydrophobicContact CB-CB 4.07Å; I73-F148 HydrophobicContact CB-CD1 3.91Å; I73-F148 HydrophobicContact CB-CD2 4.29Å; I73-F148 HydrophobicContact CB-CE1 4.41Å; I73-F148 HydrophobicContact CB-CG 3.84Å; I73-F148 HydrophobicContact CG2-CD1 3.6Å; I73-F148 HydrophobicContact CG2-CD2 4.16Å; I73-F148 HydrophobicContact CG2-CE1 3.6Å; I73-F148 HydrophobicContact CG2-CE2 4.15Å; I73-F148 HydrophobicContact CG2-CG 3.89Å; I73-F148 HydrophobicContact CG2-CZ 3.88Å; I73-F148 WeakPolarHBondContact O-CD2 3.35Å | ||
| 74 | S | 90.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | trans | -126.6 | 149.6 | -178.6 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | S76 E77 F78 | S74-S76 PolarHBondContact O-N 2.8Å; S74-S76 PolarHBondContact OG-OG 3.4Å; S74-E77 PolarHBondContact N-OE1 3.2Å; S74-E77 WeakPolarHBondContact O-CB 3.13Å; S74-E77 PolarHBondContact O-N 2.63Å; S74-F78 WeakPolarHBondContact O-CD2 3.45Å | ||
| 75 | K | 90 | Very high | 88.7 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -55.5 | -23.3 | 175.5 | -175 | 159.9 | -178 | 160.2 | 0 | 113.1 | E77 F78 S108 Y155 | K75-E77 VanDerWaalsContact C-N 3.26Å; K75-E77 PolarHBondContact O-N 2.71Å; K75-F78 PolarHBondContact O-N 2.83Å; K75-S108 PolarHBondContact NZ-OG 3.11Å; K75-Y155 HydrophobicContact CB-CE2 4.36Å; K75-Y155 HydrophobicContact CD-CE1 3.7Å; K75-Y155 WeakPolarHBondContact CD-OH 3.46Å |
| 76 | S | 89.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 58% | 0.58 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -66.4 | -22.2 | 176.3 | 80.2 | 0 | 0 | 0 | 0 | 114.5 | S74 F78 K98 | S74-S76 PolarHBondContact O-N 2.8Å; S74-S76 PolarHBondContact OG-OG 3.4Å; S76-F78 PolarHBondContact O-N 3.39Å; S76-K98 PolarHBondContact O-NZ 2.77Å |
| 77 | E | 91.5 | Very high | 86.5 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -76.4 | -11 | 177.6 | -61.8 | 176.7 | -118.2 | 0 | 0 | 113.1 | M1 R7 I73 S74 K75 K98 | M1-E77 HydrophobicContact CE-CG 4.15Å; M1-E77 HydrophobicContact SD-CB 4.31Å; M1-E77 HydrophobicContact SD-CG 3.94Å; R7-E77 IonicContact CZ-OE1 2.74Å; R7-E77 IonicContact CZ-OE2 3.31Å; R7-E77 IonicContact NH1-OE1 3.71Å; R7-E77 PolarHBondContact NH1-OE1 3.2Å; R7-E77 IonicContact NH1-OE2 2.78Å; R7-E77 PolarHBondContact NH1-OE2 3.03Å; R7-E77 IonicContact NH2-OE1 2.71Å; I73-E77 WeakPolarHBondContact CA-OE1 3.03Å; S74-E77 PolarHBondContact N-OE1 3.2Å; S74-E77 WeakPolarHBondContact O-CB 3.13Å; S74-E77 PolarHBondContact O-N 2.63Å; K75-E77 VanDerWaalsContact C-N 3.26Å; K75-E77 PolarHBondContact O-N 2.71Å; E77-K98 VanDerWaalsContact O-CB 3.25Å; E77-K98 WeakPolarHBondContact O-CB 3.42Å; E77-K98 WeakPolarHBondContact O-CD 3.42Å; E77-K98 WeakPolarHBondContact O-CG 3.22Å; E77-K98 PolarHBondContact O-N 3.5Å |
| 78 | F | 93.9 | Very high | 85.2 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.4 | -177.8 | -60.3 | -81.8 | 0 | 0 | 0 | 111.4 | I73 S74 K75 S76 V95 K96 W97 K98 F148 L157 | I73-F78 HydrophobicContact CG2-CE2 3.66Å; I73-F78 HydrophobicContact CG2-CZ 3.9Å; S74-F78 WeakPolarHBondContact O-CD2 3.45Å; K75-F78 PolarHBondContact O-N 2.83Å; S76-F78 PolarHBondContact O-N 3.39Å; F78-V95 HydrophobicContact CB-CB 4.07Å; F78-V95 HydrophobicContact CB-CG1 4.36Å; F78-V95 HydrophobicContact CB-CG2 4.3Å; F78-V95 HydrophobicContact CD1-CB 4.29Å; F78-V95 HydrophobicContact CD1-CG2 3.66Å; F78-V95 HydrophobicContact CE1-CG2 4.42Å; F78-V95 HydrophobicContact CG-CG2 4.22Å; F78-K96 WeakPolarHBondContact CA-O 3.06Å; F78-W97 HydrophobicContact CD1-CB 3.99Å; F78-W97 HydrophobicContact CD1-CG 4.1Å; F78-W97 HydrophobicContact CE1-CB 3.76Å; F78-W97 AromaticContact CE1-CD1 3.64Å; F78-W97 AromaticContact CE1-CD2 3.99Å; F78-W97 HydrophobicContact CE1-CD2 3.99Å; F78-W97 AromaticContact CE1-CG 3.54Å; F78-W97 HydrophobicContact CE1-CG 3.54Å; F78-W97 AromaticContact CZ-CD1 3.97Å; F78-W97 HydrophobicContact CZ-CD2 4.31Å; F78-W97 HydrophobicContact CZ-CG 4.18Å; F78-K98 WeakPolarHBondContact O-CE 3.4Å; F78-K98 PolarHBondContact O-NZ 2.72Å; F78-F148 HydrophobicContact CD2-CZ 4.25Å; F78-F148 AromaticContact CE2-CE1 3.98Å; F78-F148 HydrophobicContact CE2-CE1 3.98Å; F78-F148 HydrophobicContact CE2-CE2 4.49Å; F78-F148 AromaticContact CE2-CZ 3.6Å; F78-F148 HydrophobicContact CE2-CZ 3.6Å; F78-F148 HydrophobicContact CZ-CE1 4.29Å; F78-F148 HydrophobicContact CZ-CZ 4.34Å; F78-L157 HydrophobicContact CD1-CD1 4.11Å; F78-L157 HydrophobicContact CE1-CD1 3.46Å; F78-L157 VanDerWaalsContact CE1-CD1 3.46Å; F78-L157 HydrophobicContact CE1-CD2 3.86Å; F78-L157 HydrophobicContact CE1-CG 4.31Å; F78-L157 HydrophobicContact CZ-CD1 3.91Å; F78-L157 HydrophobicContact CZ-CD2 3.93Å |
| 79 | E | 92.1 | Very high | 83.8 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.8 | 170.4 | 173.3 | 170.7 | -139.1 | 0 | 0 | 107.1 | I81 V95 K96 K98 | E79-I81 PolarHBondContact O-N 3.42Å; E79-V95 CarbonylContact O-C 3.56Å; E79-V95 VanDerWaalsContact O-CA 3.26Å; E79-V95 WeakPolarHBondContact O-CA 3.45Å; E79-K96 HydrophobicContact CB-CB 4.28Å; E79-K96 PolarHBondContact N-O 2.91Å; E79-K96 PolarHBondContact O-N 3.24Å; E79-K98 HydrophobicContact CB-CG 4.41Å |
| 80 | T | 90.6 | Very high | 83 | Confident | 76 Ų | 76 | 45.4 Ų | 45.4 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.6 | 178.5 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 81 | I | 88 | Confident | 82.9 | Confident | 66 Ų | 66 | 44 Ų | 44 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -51.9 | 176.9 | -65.1 | 169 | 0 | 0 | 0 | 109.3 | E79 V94 K96 I103 D370 | E79-I81 PolarHBondContact O-N 3.42Å; I81-V94 HydrophobicContact CB-CG1 4.27Å; I81-V94 HydrophobicContact CD1-CG1 4.29Å; I81-V94 PolarHBondContact N-O 3.43Å; I81-K96 HydrophobicContact CD1-CB 4.03Å; I81-I103 HydrophobicContact CD1-CD1 3.69Å; I81-D370 HydrophobicContact CD1-CB 3.96Å |
| 82 | R | 86.4 | Confident | 82.9 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 145.2 | -176.2 | -154.4 | 175.9 | 175.5 | -170.9 | -10.4 | 111.8 | S93 V94 T372 | R82-S93 CarbonylContact O-C 3.53Å; R82-S93 WeakPolarHBondContact O-CA 3.05Å; R82-V94 PolarHBondContact N-O 3.43Å; R82-V94 PolarHBondContact O-N 2.7Å; R82-T372 VanDerWaalsContact CD-OG1 3.23Å; R82-T372 WeakPolarHBondContact CD-OG1 3.4Å; R82-T372 VanDerWaalsContact NH1-CB 3.33Å; R82-T372 PolarHBondContact NH1-O 3.24Å; R82-T372 VanDerWaalsContact NH1-O 3.07Å; R82-T372 PolarHBondContact NH1-OG1 3.4Å |
| 83 | L | 85.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.5 | 162.1 | -178.9 | 67.6 | 0 | 0 | 0 | 108 | D91 V92 I377 | L83-D91 HydrophobicContact CD1-CB 3.67Å; L83-V92 WeakPolarHBondContact CD1-O 3.48Å; L83-I377 VanDerWaalsContact O-CG2 3.28Å; L83-I377 WeakPolarHBondContact O-CG2 3.05Å |
| 84 | I | 82.6 | Confident | 83 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -19 | 178.8 | 57.7 | 168 | 0 | 0 | 0 | 113.7 | V92 V94 F160 T372 I377 | I84-V92 HydrophobicContact CD1-CG1 3.92Å; I84-V92 HydrophobicContact CG1-CB 4.2Å; I84-V92 HydrophobicContact CG1-CG1 3.87Å; I84-V92 WeakPolarHBondContact CG1-O 3.37Å; I84-V92 PolarHBondContact N-O 3.05Å; I84-V94 HydrophobicContact CD1-CG2 3.94Å; I84-V94 HydrophobicContact CG1-CG2 4.3Å; I84-V94 HydrophobicContact CG2-CG2 3.58Å; I84-F160 HydrophobicContact CD1-CD2 4.33Å; I84-F160 HydrophobicContact CD1-CE2 3.96Å; I84-T372 HydrophobicContact CG2-CG2 3.73Å; I84-I377 HydrophobicContact CB-CD1 4.41Å; I84-I377 HydrophobicContact CG2-CD1 3.83Å; I84-I377 HydrophobicContact CG2-CG1 4.48Å |
| 85 | G | 76.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 147 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V92 | G85-V92 PolarHBondContact N-O 3.43Å; G85-V92 PolarHBondContact O-N 3.21Å |
| 86 | S | 69.7 | Low | 83.4 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 93.5 | 178.2 | -166.6 | 0 | 0 | 0 | 0 | 110 | D91 R382 | S86-D91 VanDerWaalsContact CB-OD1 3.32Å; S86-D91 WeakPolarHBondContact CB-OD1 3.28Å; S86-D91 PolarHBondContact OG-OD1 3.29Å; S86-R382 PolarHBondContact O-NH1 2.73Å |
| 87 | G | 63.6 | Low | 83.6 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | trans | -80.7 | -174.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | F89 G90 | G87-F89 PolarHBondContact O-N 3.12Å; G87-F89 VanDerWaalsContact O-N 3.16Å; G87-G90 PolarHBondContact N-O 3.47Å | ||
| 88 | A | 61.7 | Low | 83.6 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 44% | 0.438 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69 | -10.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R117 | A88-R117 PolarHBondContact O-NH1 3.34Å; A88-R117 PolarHBondContact O-NH2 2.83Å |
| 89 | F | 59 | Low | 83.1 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -132.9 | -4.4 | -170.9 | -59 | -81.5 | 0 | 0 | 0 | 114.2 | G87 L109 H110 M114 R117 | G87-F89 PolarHBondContact O-N 3.12Å; G87-F89 VanDerWaalsContact O-N 3.16Å; F89-L109 HydrophobicContact CB-CD2 4.28Å; F89-H110 PolarHBondContact O-N 2.94Å; F89-M114 HydrophobicContact CB-CG 4.2Å; F89-M114 HydrophobicContact CD1-CB 4.33Å; F89-M114 HydrophobicContact CD1-CG 4Å; F89-M114 HydrophobicContact CG-CG 4.43Å; F89-R117 VanDerWaalsContact CD1-NH1 3.26Å; F89-R117 HydrophobicContact CE1-CB 4.37Å; F89-R117 HydrophobicContact CE1-CG 4.17Å |
| 90 | G | 73.1 | Confident | 82.8 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | -174 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G87 S108 | G87-G90 PolarHBondContact N-O 3.47Å; G90-S108 CarbonylContact C-O 3.56Å; G90-S108 VanDerWaalsContact CA-O 3.25Å; G90-S108 WeakPolarHBondContact CA-O 3.48Å |
| 91 | D | 86.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138 | -160 | -65.2 | -50.4 | 0 | 0 | 0 | 113.1 | L83 S86 S108 | L83-D91 HydrophobicContact CD1-CB 3.67Å; S86-D91 VanDerWaalsContact CB-OD1 3.32Å; S86-D91 WeakPolarHBondContact CB-OD1 3.28Å; S86-D91 PolarHBondContact OG-OD1 3.29Å; D91-S108 PolarHBondContact N-O 3.49Å; D91-S108 WeakPolarHBondContact O-CB 3.43Å; D91-S108 PolarHBondContact O-N 2.87Å |
| 92 | V | 88.7 | Confident | 82.8 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118 | 169.8 | -171.7 | 0 | 0 | 0 | 0 | 109 | L83 I84 G85 A105 K107 | L83-V92 WeakPolarHBondContact CD1-O 3.48Å; I84-V92 HydrophobicContact CD1-CG1 3.92Å; I84-V92 HydrophobicContact CG1-CB 4.2Å; I84-V92 HydrophobicContact CG1-CG1 3.87Å; I84-V92 WeakPolarHBondContact CG1-O 3.37Å; I84-V92 PolarHBondContact N-O 3.05Å; G85-V92 PolarHBondContact N-O 3.43Å; G85-V92 PolarHBondContact O-N 3.21Å; V92-A105 HydrophobicContact CG1-CB 4.49Å; V92-K107 HydrophobicContact CG2-CB 4.23Å; V92-K107 HydrophobicContact CG2-CG 4.03Å |
| 93 | S | 91.2 | Very high | 83.2 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.6 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 112 | R82 V95 L106 | R82-S93 CarbonylContact O-C 3.53Å; R82-S93 WeakPolarHBondContact O-CA 3.05Å; S93-V95 PolarHBondContact O-N 3.26Å; S93-L106 PolarHBondContact N-O 2.91Å; S93-L106 PolarHBondContact O-N 3.21Å |
| 94 | V | 93 | Very high | 83.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.9 | 162.7 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | I81 R82 I84 I103 F160 T372 | I81-V94 HydrophobicContact CB-CG1 4.27Å; I81-V94 HydrophobicContact CD1-CG1 4.29Å; I81-V94 PolarHBondContact N-O 3.43Å; R82-V94 PolarHBondContact N-O 3.43Å; R82-V94 PolarHBondContact O-N 2.7Å; I84-V94 HydrophobicContact CD1-CG2 3.94Å; I84-V94 HydrophobicContact CG1-CG2 4.3Å; I84-V94 HydrophobicContact CG2-CG2 3.58Å; V94-I103 HydrophobicContact CG1-CG2 3.53Å; V94-F160 HydrophobicContact CG1-CD1 4.25Å; V94-F160 HydrophobicContact CG1-CE1 4.25Å; V94-F160 HydrophobicContact CG2-CD1 4.35Å; V94-F160 HydrophobicContact CG2-CD2 3.73Å; V94-F160 HydrophobicContact CG2-CE1 4.04Å; V94-F160 HydrophobicContact CG2-CE2 3.39Å; V94-F160 HydrophobicContact CG2-CG 4.22Å; V94-F160 HydrophobicContact CG2-CZ 3.57Å; V94-T372 HydrophobicContact CG2-CG2 3.84Å |
| 95 | V | 94.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.2 | -178.8 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | F78 E79 S93 I103 Y104 L106 L157 | F78-V95 HydrophobicContact CB-CB 4.07Å; F78-V95 HydrophobicContact CB-CG1 4.36Å; F78-V95 HydrophobicContact CB-CG2 4.3Å; F78-V95 HydrophobicContact CD1-CB 4.29Å; F78-V95 HydrophobicContact CD1-CG2 3.66Å; F78-V95 HydrophobicContact CE1-CG2 4.42Å; F78-V95 HydrophobicContact CG-CG2 4.22Å; E79-V95 CarbonylContact O-C 3.56Å; E79-V95 VanDerWaalsContact O-CA 3.26Å; E79-V95 WeakPolarHBondContact O-CA 3.45Å; S93-V95 PolarHBondContact O-N 3.26Å; V95-I103 CarbonylContact O-C 3.6Å; V95-I103 WeakPolarHBondContact O-CA 3.39Å; V95-Y104 PolarHBondContact N-O 3.04Å; V95-Y104 PolarHBondContact O-N 3.08Å; V95-L106 HydrophobicContact CB-CB 4.45Å; V95-L106 HydrophobicContact CG1-CB 3.74Å; V95-L106 HydrophobicContact CG1-CD2 3.97Å; V95-L106 HydrophobicContact CG2-CB 3.79Å; V95-L157 HydrophobicContact CG2-CD1 4.02Å |
| 96 | K | 94.2 | Very high | 85.1 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 35% | 0.352 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.5 | 166.4 | -171 | 172.8 | -169.7 | 169.4 | 0 | 109.5 | F78 E79 I81 K98 G101 K102 I103 | F78-K96 WeakPolarHBondContact CA-O 3.06Å; E79-K96 HydrophobicContact CB-CB 4.28Å; E79-K96 PolarHBondContact N-O 2.91Å; E79-K96 PolarHBondContact O-N 3.24Å; I81-K96 HydrophobicContact CD1-CB 4.03Å; K96-K98 PolarHBondContact O-N 3.02Å; K96-G101 WeakPolarHBondContact CE-O 3.42Å; K96-K102 VanDerWaalsContact CA-O 3.3Å; K96-K102 WeakPolarHBondContact CA-O 3.39Å; K96-I103 HydrophobicContact CB-CD1 4.07Å; K96-I103 HydrophobicContact CD-CD1 4.31Å; K96-I103 HydrophobicContact CG-CD1 4.06Å |
| 97 | W | 93.6 | Very high | 86.1 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119.9 | 174.8 | -166.2 | 7.6 | 0 | 0 | 0 | 109.4 | L4 F78 N99 D100 G101 K102 Y104 H146 L157 | L4-W97 HydrophobicContact CD2-CH2 4.01Å; F78-W97 HydrophobicContact CD1-CB 3.99Å; F78-W97 HydrophobicContact CD1-CG 4.1Å; F78-W97 HydrophobicContact CE1-CB 3.76Å; F78-W97 AromaticContact CE1-CD1 3.64Å; F78-W97 AromaticContact CE1-CD2 3.99Å; F78-W97 HydrophobicContact CE1-CD2 3.99Å; F78-W97 AromaticContact CE1-CG 3.54Å; F78-W97 HydrophobicContact CE1-CG 3.54Å; F78-W97 AromaticContact CZ-CD1 3.97Å; F78-W97 HydrophobicContact CZ-CD2 4.31Å; F78-W97 HydrophobicContact CZ-CG 4.18Å; W97-N99 PolarHBondContact O-N 2.88Å; W97-D100 PolarHBondContact O-N 3.43Å; W97-G101 WeakPolarHBondContact O-CA 3.41Å; W97-G101 PolarHBondContact O-N 3.13Å; W97-K102 PolarHBondContact N-O 3.4Å; W97-Y104 HydrophobicContact CB-CD2 4.09Å; W97-Y104 HydrophobicContact CB-CE2 3.97Å; W97-Y104 AromaticContact CE3-CE2 3.91Å; W97-Y104 HydrophobicContact CE3-CE2 3.91Å; W97-H146 AromaticContact CH2-CD2 3.63Å; W97-H146 AromaticContact CH2-NE2 3.49Å; W97-H146 WeakPolarHBondContact CH2-NE2 3.11Å; W97-H146 AromaticContact CZ3-CD2 3.88Å; W97-H146 AromaticContact CZ3-NE2 3.78Å; W97-L157 HydrophobicContact CE3-CD2 4.32Å; W97-L157 HydrophobicContact CZ3-CD2 4.39Å |
| 98 | K | 90.6 | Very high | 87.4 | Confident | 107 Ų | 107 | 36.6 Ų | 36.6 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.4 | -175 | -63.4 | 166 | -168.9 | 155.6 | 0 | 114.1 | S76 E77 F78 E79 K96 | S76-K98 PolarHBondContact O-NZ 2.77Å; E77-K98 VanDerWaalsContact O-CB 3.25Å; E77-K98 WeakPolarHBondContact O-CB 3.42Å; E77-K98 WeakPolarHBondContact O-CD 3.42Å; E77-K98 WeakPolarHBondContact O-CG 3.22Å; E77-K98 PolarHBondContact O-N 3.5Å; F78-K98 WeakPolarHBondContact O-CE 3.4Å; F78-K98 PolarHBondContact O-NZ 2.72Å; E79-K98 HydrophobicContact CB-CG 4.41Å; K96-K98 PolarHBondContact O-N 3.02Å |
| 99 | N | 84.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -32 | -177.2 | -166.5 | 73.6 | 0 | 0 | 0 | 113.8 | W97 | W97-N99 PolarHBondContact O-N 2.88Š|
| 100 | D | 85.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 31.5 Ų | 31.5 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -11.6 | 176.9 | 79.1 | -18.6 | 0 | 0 | 0 | 114.2 | W97 K102 | W97-D100 PolarHBondContact O-N 3.43Å; D100-K102 PolarHBondContact OD1-N 2.85Å; D100-K102 WeakPolarHBondContact OD2-CD 3.37Å; D100-K102 WeakPolarHBondContact OD2-CE 3.46Å; D100-K102 WeakPolarHBondContact OD2-CG 3.36Å; D100-K102 IonicContact OD2-NZ 3.93Å; D100-K102 PolarHBondContact OD2-NZ 2.64Å |
| 101 | G | 86.8 | Confident | 90.1 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | trans | 81.9 | 4.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K96 W97 | K96-G101 WeakPolarHBondContact CE-O 3.42Å; W97-G101 WeakPolarHBondContact O-CA 3.41Å; W97-G101 PolarHBondContact O-N 3.13Å | ||
| 102 | K | 92.2 | Very high | 89.4 | Confident | 120 Ų | 120 | 31.7 Ų | 31.7 | 52% | 0.522 | 16% | 0.16 | S | C | . | . | trans | -79.5 | 160.7 | 179.6 | -64.7 | -166.2 | -156.1 | 105.1 | 0 | 113 | K96 W97 D100 Y104 | K96-K102 VanDerWaalsContact CA-O 3.3Å; K96-K102 WeakPolarHBondContact CA-O 3.39Å; W97-K102 PolarHBondContact N-O 3.4Å; D100-K102 PolarHBondContact OD1-N 2.85Å; D100-K102 WeakPolarHBondContact OD2-CD 3.37Å; D100-K102 WeakPolarHBondContact OD2-CE 3.46Å; D100-K102 WeakPolarHBondContact OD2-CG 3.36Å; D100-K102 IonicContact OD2-NZ 3.93Å; D100-K102 PolarHBondContact OD2-NZ 2.64Å; K102-Y104 HydrophobicContact CB-CD2 4.37Å; K102-Y104 HydrophobicContact CB-CE2 3.64Å | ||
| 103 | I | 93.9 | Very high | 88.4 | Confident | 33 Ų | 33 | 31 Ų | 31 | 17% | 0.169 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138 | 179.5 | -48.6 | -54.4 | 0 | 0 | 0 | 109.7 | I81 V94 V95 K96 F160 P369 D370 | I81-I103 HydrophobicContact CD1-CD1 3.69Å; V94-I103 HydrophobicContact CG1-CG2 3.53Å; V95-I103 CarbonylContact O-C 3.6Å; V95-I103 WeakPolarHBondContact O-CA 3.39Å; K96-I103 HydrophobicContact CB-CD1 4.07Å; K96-I103 HydrophobicContact CD-CD1 4.31Å; K96-I103 HydrophobicContact CG-CD1 4.06Å; I103-F160 HydrophobicContact CG2-CB 4.32Å; I103-F160 HydrophobicContact CG2-CD1 3.71Å; I103-F160 HydrophobicContact CG2-CE1 4.49Å; I103-F160 HydrophobicContact CG2-CG 4.3Å; I103-P369 HydrophobicContact CG1-CB 4.21Å; I103-D370 HydrophobicContact CD1-CB 4.17Å; I103-D370 HydrophobicContact CG1-CB 4.21Å; I103-D370 HydrophobicContact CG2-CB 4.34Å |
| 104 | Y | 94.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.3 | -176.3 | -66.7 | -80.6 | 0 | 0 | 0 | 111.1 | V95 W97 K102 H145 L157 M158 | V95-Y104 PolarHBondContact N-O 3.04Å; V95-Y104 PolarHBondContact O-N 3.08Å; W97-Y104 HydrophobicContact CB-CD2 4.09Å; W97-Y104 HydrophobicContact CB-CE2 3.97Å; W97-Y104 AromaticContact CE3-CE2 3.91Å; W97-Y104 HydrophobicContact CE3-CE2 3.91Å; K102-Y104 HydrophobicContact CB-CD2 4.37Å; K102-Y104 HydrophobicContact CB-CE2 3.64Å; Y104-H145 AromaticContact CD1-CD2 3.96Å; Y104-H145 AromaticContact CE1-CD2 3.71Å; Y104-H145 AromaticContact CE1-CE1 3.8Å; Y104-H145 AromaticContact CE1-CG 3.83Å; Y104-H145 AromaticContact CE1-ND1 3.9Å; Y104-H145 AromaticContact CE1-NE2 3.68Å; Y104-L157 HydrophobicContact CD1-CD1 4.47Å; Y104-L157 HydrophobicContact CD1-CD2 4.34Å; Y104-L157 HydrophobicContact CD1-CG 4.12Å; Y104-L157 HydrophobicContact CD2-CD1 4.39Å; Y104-L157 HydrophobicContact CG-CD1 3.91Å; Y104-L157 HydrophobicContact CG-CD2 4.3Å; Y104-L157 HydrophobicContact CG-CG 4.05Å; Y104-M158 WeakPolarHBondContact CA-O 3.03Å |
| 105 | A | 94.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | V92 M158 | V92-A105 HydrophobicContact CG1-CB 4.49Å; A105-M158 HydrophobicContact CB-CB 4.46Å; A105-M158 HydrophobicContact CB-CE 4.27Å; A105-M158 PolarHBondContact N-O 3.49Å; A105-M158 PolarHBondContact O-N 3.23Å |
| 106 | L | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 100.7 | 178.3 | -174.4 | 73.2 | 0 | 0 | 0 | 110.5 | S93 V95 F148 Y155 F156 L157 | S93-L106 PolarHBondContact N-O 2.91Å; S93-L106 PolarHBondContact O-N 3.21Å; V95-L106 HydrophobicContact CB-CB 4.45Å; V95-L106 HydrophobicContact CG1-CB 3.74Å; V95-L106 HydrophobicContact CG1-CD2 3.97Å; V95-L106 HydrophobicContact CG2-CB 3.79Å; L106-F148 HydrophobicContact CD1-CE1 4.04Å; L106-F148 HydrophobicContact CD1-CZ 3.87Å; L106-Y155 HydrophobicContact CD1-CD1 4.36Å; L106-Y155 HydrophobicContact CD2-CD1 4.46Å; L106-Y155 HydrophobicContact CG-CD1 4.39Å; L106-F156 WeakPolarHBondContact CA-O 3.27Å; L106-L157 HydrophobicContact CD1-CB 4.42Å; L106-L157 HydrophobicContact CD1-CD1 4.02Å |
| 107 | K | 91.9 | Very high | 82.5 | Confident | 21 Ų | 21 | 43 Ų | 43 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 113.4 | 173.7 | -174 | 177.7 | -164.7 | -168.2 | 0 | 108.8 | V92 L109 E126 Y155 F156 M158 D223 | V92-K107 HydrophobicContact CG2-CB 4.23Å; V92-K107 HydrophobicContact CG2-CG 4.03Å; K107-L109 HydrophobicContact CD-CD1 4.49Å; K107-L109 HydrophobicContact CD-CD2 4.42Å; K107-L109 HydrophobicContact CG-CD1 4.47Å; K107-L109 HydrophobicContact CG-CD2 3.86Å; K107-L109 HydrophobicContact CG-CG 4.09Å; K107-E126 IonicContact NZ-OE1 3.62Å; K107-E126 PolarHBondContact NZ-OE1 2.87Å; K107-E126 IonicContact NZ-OE2 3.77Å; K107-E126 PolarHBondContact NZ-OE2 3.33Å; K107-Y155 WeakPolarHBondContact O-CA 3.45Å; K107-F156 HydrophobicContact CB-CB 4.28Å; K107-F156 HydrophobicContact CD-CD2 4.43Å; K107-F156 PolarHBondContact N-O 2.86Å; K107-F156 PolarHBondContact O-N 3.28Å; K107-M158 HydrophobicContact CB-CE 3.74Å; K107-M158 HydrophobicContact CD-CE 4.47Å; K107-D223 IonicContact NZ-OD1 3.7Å; K107-D223 PolarHBondContact NZ-OD1 2.91Å |
| 108 | S | 90.5 | Very high | 80.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 94.9 | -172.9 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | K75 G90 D91 Y155 | K75-S108 PolarHBondContact NZ-OG 3.11Å; G90-S108 CarbonylContact C-O 3.56Å; G90-S108 VanDerWaalsContact CA-O 3.25Å; G90-S108 WeakPolarHBondContact CA-O 3.48Å; D91-S108 PolarHBondContact N-O 3.49Å; D91-S108 WeakPolarHBondContact O-CB 3.43Å; D91-S108 PolarHBondContact O-N 2.87Å; S108-Y155 WeakPolarHBondContact OG-CD1 3.18Å; S108-Y155 WeakPolarHBondContact OG-CE1 3.18Å |
| 109 | L | 85.9 | Confident | 77.8 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132 | -173.9 | -53.7 | 179 | 0 | 0 | 0 | 111.8 | F89 K107 K111 M114 F153 L154 F156 | F89-L109 HydrophobicContact CB-CD2 4.28Å; K107-L109 HydrophobicContact CD-CD1 4.49Å; K107-L109 HydrophobicContact CD-CD2 4.42Å; K107-L109 HydrophobicContact CG-CD1 4.47Å; K107-L109 HydrophobicContact CG-CD2 3.86Å; K107-L109 HydrophobicContact CG-CG 4.09Å; L109-K111 PolarHBondContact O-N 3.16Å; L109-M114 HydrophobicContact CB-CE 3.86Å; L109-M114 HydrophobicContact CB-SD 3.58Å; L109-M114 VanDerWaalsContact CB-SD 3.58Å; L109-M114 HydrophobicContact CD1-CE 3.59Å; L109-M114 HydrophobicContact CD1-SD 4.46Å; L109-M114 HydrophobicContact CG-CE 4.35Å; L109-F153 CarbonylContact O-C 3.6Å; L109-F153 VanDerWaalsContact O-CA 3.28Å; L109-F153 WeakPolarHBondContact O-CA 3.31Å; L109-L154 HydrophobicContact CB-CB 4.47Å; L109-L154 PolarHBondContact N-O 3.43Å; L109-L154 PolarHBondContact O-N 3.16Å; L109-F156 HydrophobicContact CD1-CD2 4.33Å; L109-F156 HydrophobicContact CD1-CE2 3.84Å |
| 110 | H | 82.2 | Confident | 76 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.8 | -175 | -171.7 | -117.4 | 0 | 0 | 0 | 111.4 | F89 Y112 D113 M114 K152 F153 G386 | F89-H110 PolarHBondContact O-N 2.94Å; H110-Y112 PolarHBondContact O-N 3.08Å; H110-D113 HydrophobicContact CB-CB 4.44Å; H110-D113 IonicContact CG-OD2 3.38Å; H110-D113 IonicContact ND1-OD2 2.69Å; H110-D113 PolarHBondContact ND1-OD2 3.49Å; H110-D113 VanDerWaalsContact ND1-OD2 3.15Å; H110-D113 PolarHBondContact O-N 2.9Å; H110-M114 WeakPolarHBondContact O-CG 3.12Å; H110-M114 PolarHBondContact O-N 3.28Å; H110-K152 PolarHBondContact CD2-O 2.75Å; H110-F153 HydrophobicContact CB-CD1 4.07Å; H110-F153 HydrophobicContact CB-CE1 3.83Å; H110-F153 AromaticContact CD2-CE1 3.68Å; H110-F153 AromaticContact CD2-CZ 3.79Å; H110-G386 VanDerWaalsContact CE1-CA 3.46Å; H110-G386 WeakPolarHBondContact CE1-CA 3.22Å |
| 111 | K | 82.7 | Confident | 74.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -47.6 | -42.8 | -170.4 | -73.3 | 176.6 | 167.2 | 180 | 0 | 113.6 | L109 L115 Q149 D150 K152 L154 | L109-K111 PolarHBondContact O-N 3.16Å; K111-L115 PolarHBondContact O-N 2.88Å; K111-Q149 VanDerWaalsContact CE-OE1 3.3Å; K111-D150 PolarHBondContact NZ-O 3.09Å; K111-K152 WeakPolarHBondContact CB-O 3.48Å; K111-K152 WeakPolarHBondContact CG-O 3.26Å; K111-K152 PolarHBondContact N-O 3.47Å; K111-L154 HydrophobicContact CD-CD2 4.35Å; K111-L154 HydrophobicContact CG-CD2 4.09Å; K111-L154 HydrophobicContact CG-CG 3.92Å |
| 112 | Y | 71.2 | Confident | 72.9 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | -179.9 | 172.8 | -93.5 | 0 | 0 | 0 | 113.5 | H110 M114 L115 K116 P387 L389 F393 | H110-Y112 PolarHBondContact O-N 3.08Å; Y112-M114 VanDerWaalsContact C-N 3.28Å; Y112-M114 PolarHBondContact O-N 3.25Å; Y112-L115 PolarHBondContact O-N 3.17Å; Y112-K116 HydrophobicContact CE1-CB 4.41Å; Y112-K116 HydrophobicContact CE1-CD 3.8Å; Y112-K116 WeakPolarHBondContact O-CB 2.99Å; Y112-K116 PolarHBondContact O-N 3.36Å; Y112-P387 HydrophobicContact CD1-CG 4.35Å; Y112-P387 HydrophobicContact CE1-CG 3.57Å; Y112-L389 HydrophobicContact CD2-CD2 4.05Å; Y112-L389 HydrophobicContact CG-CD2 4.46Å; Y112-F393 AromaticContact CE2-CD2 3.83Å; Y112-F393 HydrophobicContact CE2-CD2 3.83Å; Y112-F393 AromaticContact CE2-CE2 3.7Å; Y112-F393 HydrophobicContact CE2-CE2 3.7Å; Y112-F393 HydrophobicContact CE2-CG 4.44Å; Y112-F393 HydrophobicContact CE2-CZ 4.22Å |
| 113 | D | 68.7 | Low | 71.8 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.2 | -27.3 | -177 | -70.6 | -33.9 | 0 | 0 | 0 | 111.9 | H110 H384 | H110-D113 HydrophobicContact CB-CB 4.44Å; H110-D113 IonicContact CG-OD2 3.38Å; H110-D113 IonicContact ND1-OD2 2.69Å; H110-D113 PolarHBondContact ND1-OD2 3.49Å; H110-D113 VanDerWaalsContact ND1-OD2 3.15Å; H110-D113 PolarHBondContact O-N 2.9Å; D113-H384 IonicContact OD2-ND1 2.79Å; D113-H384 PolarHBondContact OD2-ND1 2.96Å; D113-H384 VanDerWaalsContact OD2-ND1 3.13Å |
| 114 | M | 69 | Low | 70.7 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -60.2 | 169.2 | -54.9 | 169 | 90 | 0 | 0 | 110.4 | F89 L109 H110 Y112 K116 R117 F123 L154 | F89-M114 HydrophobicContact CB-CG 4.2Å; F89-M114 HydrophobicContact CD1-CB 4.33Å; F89-M114 HydrophobicContact CD1-CG 4Å; F89-M114 HydrophobicContact CG-CG 4.43Å; L109-M114 HydrophobicContact CB-CE 3.86Å; L109-M114 HydrophobicContact CB-SD 3.58Å; L109-M114 VanDerWaalsContact CB-SD 3.58Å; L109-M114 HydrophobicContact CD1-CE 3.59Å; L109-M114 HydrophobicContact CD1-SD 4.46Å; L109-M114 HydrophobicContact CG-CE 4.35Å; H110-M114 WeakPolarHBondContact O-CG 3.12Å; H110-M114 PolarHBondContact O-N 3.28Å; Y112-M114 VanDerWaalsContact C-N 3.28Å; Y112-M114 PolarHBondContact O-N 3.25Å; M114-K116 VanDerWaalsContact C-N 3.26Å; M114-K116 PolarHBondContact O-N 2.89Å; M114-R117 PolarHBondContact O-N 2.95Å; M114-F123 HydrophobicContact CE-CB 3.75Å; M114-F123 HydrophobicContact CE-CD1 3.56Å; M114-F123 HydrophobicContact CE-CG 4.02Å; M114-F123 HydrophobicContact SD-CD1 4.49Å; M114-L154 HydrophobicContact CE-CD1 4.15Å; M114-L154 HydrophobicContact SD-CD1 3.99Å |
| 115 | L | 65.3 | Low | 69.8 | Low | 57 Ų | 57 | 48.3 Ų | 48.3 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.2 | -31.1 | -178.4 | -80.5 | 161.7 | 0 | 0 | 0 | 113.7 | K111 Y112 R117 S118 C396 A399 | K111-L115 PolarHBondContact O-N 2.88Å; Y112-L115 PolarHBondContact O-N 3.17Å; L115-R117 VanDerWaalsContact C-N 3.26Å; L115-R117 PolarHBondContact O-N 3.08Å; L115-S118 PolarHBondContact O-N 2.93Å; L115-C396 HydrophobicContact CD1-CB 4.11Å; L115-C396 VanDerWaalsContact CD1-SG 3.51Å; L115-A399 HydrophobicContact CD1-CB 4.47Å; L115-A399 HydrophobicContact CD2-CB 4.11Å |
| 116 | K | 60.6 | Low | 69.4 | Low | 125 Ų | 125 | 48.3 Ų | 48.3 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -27.5 | 179 | 177.8 | -174.2 | 167.7 | -158.2 | 0 | 113.4 | Y112 M114 S118 | Y112-K116 HydrophobicContact CE1-CB 4.41Å; Y112-K116 HydrophobicContact CE1-CD 3.8Å; Y112-K116 WeakPolarHBondContact O-CB 2.99Å; Y112-K116 PolarHBondContact O-N 3.36Å; M114-K116 VanDerWaalsContact C-N 3.26Å; M114-K116 PolarHBondContact O-N 2.89Å; K116-S118 VanDerWaalsContact C-N 3.3Å |
| 117 | R | 54 | Low | 69 | Low | 129 Ų | 129 | 49.1 Ų | 49.1 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.8 | 177.3 | -72.7 | -160.7 | 177.9 | 86 | -5.9 | 114.1 | A88 F89 M114 L115 D119 | A88-R117 PolarHBondContact O-NH1 3.34Å; A88-R117 PolarHBondContact O-NH2 2.83Å; F89-R117 VanDerWaalsContact CD1-NH1 3.26Å; F89-R117 HydrophobicContact CE1-CB 4.37Å; F89-R117 HydrophobicContact CE1-CG 4.17Å; M114-R117 PolarHBondContact O-N 2.95Å; L115-R117 VanDerWaalsContact C-N 3.26Å; L115-R117 PolarHBondContact O-N 3.08Å; R117-D119 PolarHBondContact O-N 2.8Å |
| 118 | S | 42.7 | Very low | 68.6 | Low | 101 Ų | 101 | 50 Ų | 50 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | trans | 57.3 | -23.8 | 173 | 55.5 | 0 | 0 | 0 | 0 | 119.4 | L115 K116 R120 | L115-S118 PolarHBondContact O-N 2.93Å; K116-S118 VanDerWaalsContact C-N 3.3Å; S118-R120 PolarHBondContact O-N 2.67Å; S118-R120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | D | 41.6 | Very low | 68.4 | Low | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -88.6 | 77.8 | -172.4 | -82.2 | 34.4 | 0 | 0 | 0 | 112.4 | R117 T240 | R117-D119 PolarHBondContact O-N 2.8Å; D119-T240 HydrophobicContact CB-CG2 3.92Å; D119-T240 WeakPolarHBondContact OD2-CG2 3.5Å; D119-T240 PolarHBondContact OD2-OG1 3.03Å |
| 120 | R | 47.4 | Very low | 68.4 | Low | 134 Ų | 134 | 49.4 Ų | 49.4 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | trans | 68.4 | 142.7 | 169.3 | -47.8 | -178 | -169.4 | -156 | -1 | 114.6 | S118 C122 N238 | S118-R120 PolarHBondContact O-N 2.67Å; S118-R120 VanDerWaalsContact O-N 3.08Å; R120-C122 PolarHBondContact O-N 3.06Å; R120-N238 PolarHBondContact NE-OD1 3.41Å; R120-N238 PolarHBondContact NH2-OD1 3.36Å | ||
| 121 | A | 48.6 | Very low | 68.6 | Low | 48 Ų | 48 | 49.2 Ų | 49.2 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | trans | -94.9 | 61.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F123 Q124 | A121-F123 HydrophobicContact CB-CD1 4.16Å; A121-F123 HydrophobicContact CB-CE1 3.74Å; A121-F123 HydrophobicContact CB-CZ 4.25Å; A121-F123 PolarHBondContact O-N 3.29Å; A121-Q124 PolarHBondContact O-N 2.73Å | ||
| 122 | C | 59.8 | Low | 68.6 | Low | 28 Ų | 28 | 52.6 Ų | 52.6 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -5.5 | -169.6 | -51.4 | 0 | 0 | 0 | 0 | 116.8 | R120 Q124 E125 E126 G225 | R120-C122 PolarHBondContact O-N 3.06Å; C122-Q124 PolarHBondContact O-N 2.71Å; C122-E125 VanDerWaalsContact CA-OE2 3.31Å; C122-E125 WeakPolarHBondContact CA-OE2 3.41Å; C122-E125 PolarHBondContact O-N 2.83Å; C122-E126 WeakPolarHBondContact O-CB 3.38Å; C122-E126 PolarHBondContact O-N 3.36Å; C122-G225 WeakPolarHBondContact CB-O 3.21Å |
| 123 | F | 68.3 | Low | 69.3 | Low | 14 Ų | 14 | 51.2 Ų | 51.2 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -21.7 | 177 | 64.8 | -105.9 | 0 | 0 | 0 | 113.1 | M114 A121 R127 L154 F156 A399 F403 | M114-F123 HydrophobicContact CE-CB 3.75Å; M114-F123 HydrophobicContact CE-CD1 3.56Å; M114-F123 HydrophobicContact CE-CG 4.02Å; M114-F123 HydrophobicContact SD-CD1 4.49Å; A121-F123 HydrophobicContact CB-CD1 4.16Å; A121-F123 HydrophobicContact CB-CE1 3.74Å; A121-F123 HydrophobicContact CB-CZ 4.25Å; A121-F123 PolarHBondContact O-N 3.29Å; F123-R127 WeakPolarHBondContact O-CB 3.46Å; F123-R127 PolarHBondContact O-N 3.16Å; F123-L154 HydrophobicContact CB-CD1 4.39Å; F123-L154 HydrophobicContact CD1-CD1 3.89Å; F123-L154 HydrophobicContact CD2-CD1 3.9Å; F123-L154 HydrophobicContact CE1-CD1 4.02Å; F123-L154 HydrophobicContact CE2-CD1 4.06Å; F123-L154 HydrophobicContact CG-CD1 3.81Å; F123-L154 HydrophobicContact CZ-CD1 4.11Å; F123-F156 HydrophobicContact CB-CZ 4.41Å; F123-A399 WeakPolarHBondContact CZ-O 3.32Å; F123-F403 HydrophobicContact CB-CE2 4.49Å; F123-F403 AromaticContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CE2 4.1Å; F123-F403 HydrophobicContact CE2-CD2 4.08Å |
| 124 | Q | 70.3 | Confident | 70.1 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -78.5 | -41.7 | 175.1 | -168.5 | 163.8 | 11.4 | 0 | 0 | 110.5 | A121 C122 R127 D128 | A121-Q124 PolarHBondContact O-N 2.73Å; C122-Q124 PolarHBondContact O-N 2.71Å; Q124-R127 PolarHBondContact O-N 3.33Å; Q124-D128 VanDerWaalsContact O-CB 3.31Å; Q124-D128 WeakPolarHBondContact O-CB 3.17Å; Q124-D128 PolarHBondContact O-N 3.29Å |
| 125 | E | 76.5 | Confident | 70.6 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 168.7 | -67.2 | 88.4 | 157 | 0 | 0 | 111.8 | C122 R127 D128 V129 Y201 | C122-E125 VanDerWaalsContact CA-OE2 3.31Å; C122-E125 WeakPolarHBondContact CA-OE2 3.41Å; C122-E125 PolarHBondContact O-N 2.83Å; E125-R127 PolarHBondContact O-N 3.43Å; E125-D128 PolarHBondContact O-N 2.93Å; E125-V129 WeakPolarHBondContact O-CB 3.46Å; E125-V129 VanDerWaalsContact O-CG2 3.3Å; E125-V129 WeakPolarHBondContact O-CG2 3.48Å; E125-V129 PolarHBondContact O-N 2.68Å; E125-Y201 HydrophobicContact CB-CE1 4.37Å; E125-Y201 HydrophobicContact CG-CE1 4.42Å |
| 126 | E | 86 | Confident | 71.4 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.2 | 174.5 | 168.9 | -164.3 | 0 | 0 | 112.1 | K107 C122 M130 F156 F224 | K107-E126 IonicContact NZ-OE1 3.62Å; K107-E126 PolarHBondContact NZ-OE1 2.87Å; K107-E126 IonicContact NZ-OE2 3.77Å; K107-E126 PolarHBondContact NZ-OE2 3.33Å; C122-E126 WeakPolarHBondContact O-CB 3.38Å; C122-E126 PolarHBondContact O-N 3.36Å; E126-M130 HydrophobicContact CG-CE 3.54Å; E126-M130 VanDerWaalsContact O-CE 3.31Å; E126-M130 WeakPolarHBondContact O-CE 3.16Å; E126-M130 PolarHBondContact O-N 2.83Å; E126-F156 HydrophobicContact CB-CZ 4.22Å; E126-F156 HydrophobicContact CG-CE1 3.9Å; E126-F156 HydrophobicContact CG-CE2 4.45Å; E126-F156 HydrophobicContact CG-CZ 3.76Å; E126-F224 HydrophobicContact CB-CB 4.36Å; E126-F224 HydrophobicContact CG-CB 4.21Å |
| 127 | R | 85.3 | Confident | 72.5 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 173.6 | -172.5 | -147.6 | 78.5 | 117.7 | 2.1 | 111.2 | F123 Q124 E125 V129 M130 V131 T147 F156 E413 | F123-R127 WeakPolarHBondContact O-CB 3.46Å; F123-R127 PolarHBondContact O-N 3.16Å; Q124-R127 PolarHBondContact O-N 3.33Å; E125-R127 PolarHBondContact O-N 3.43Å; R127-V129 PolarHBondContact O-N 2.97Å; R127-M130 PolarHBondContact O-N 3.08Å; R127-V131 HydrophobicContact CG-CG2 4.18Å; R127-V131 WeakPolarHBondContact O-CB 3.4Å; R127-V131 VanDerWaalsContact O-CG2 3.3Å; R127-V131 WeakPolarHBondContact O-CG2 3.36Å; R127-V131 PolarHBondContact O-N 2.79Å; R127-T147 HydrophobicContact CG-CG2 4.36Å; R127-F156 HydrophobicContact CB-CE1 4.06Å; R127-E413 IonicContact CZ-OE1 3.54Å; R127-E413 VanDerWaalsContact CZ-OE1 3.22Å; R127-E413 IonicContact NH1-OE1 3.13Å; R127-E413 PolarHBondContact NH1-OE1 2.93Å; R127-E413 IonicContact NH2-OE1 3.41Å; R127-E413 PolarHBondContact NH2-OE1 3.07Å; R127-E413 IonicContact NH2-OE2 3.3Å |
| 128 | D | 84.3 | Confident | 74.1 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | -173.8 | -74.7 | 6.3 | 0 | 0 | 0 | 112.1 | Q124 E125 K132 Y201 | Q124-D128 VanDerWaalsContact O-CB 3.31Å; Q124-D128 WeakPolarHBondContact O-CB 3.17Å; Q124-D128 PolarHBondContact O-N 3.29Å; E125-D128 PolarHBondContact O-N 2.93Å; D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.46Å; D128-K132 WeakPolarHBondContact O-CD 3.41Å; D128-K132 WeakPolarHBondContact O-CG 3.33Å; D128-K132 PolarHBondContact O-N 3.11Å; D128-Y201 WeakPolarHBondContact CB-OH 3.39Å |
| 129 | V | 85.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -52.1 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | E125 R127 K132 A133 L196 Y201 F224 C227 | E125-V129 WeakPolarHBondContact O-CB 3.46Å; E125-V129 VanDerWaalsContact O-CG2 3.3Å; E125-V129 WeakPolarHBondContact O-CG2 3.48Å; E125-V129 PolarHBondContact O-N 2.68Å; R127-V129 PolarHBondContact O-N 2.97Å; V129-K132 PolarHBondContact O-N 3.21Å; V129-A133 WeakPolarHBondContact O-CB 3.41Å; V129-A133 PolarHBondContact O-N 3.16Å; V129-L196 HydrophobicContact CB-CD1 4.48Å; V129-L196 HydrophobicContact CG1-CD1 3.49Å; V129-L196 VanDerWaalsContact CG1-CD1 3.49Å; V129-L196 HydrophobicContact CG2-CD1 4.07Å; V129-Y201 HydrophobicContact CG2-CD1 3.59Å; V129-Y201 HydrophobicContact CG2-CD2 3.69Å; V129-Y201 HydrophobicContact CG2-CE1 3.82Å; V129-Y201 HydrophobicContact CG2-CE2 3.92Å; V129-Y201 HydrophobicContact CG2-CG 3.55Å; V129-F224 HydrophobicContact CB-CB 4.36Å; V129-F224 HydrophobicContact CB-CG 4.31Å; V129-F224 HydrophobicContact CG1-CB 4.21Å; V129-F224 HydrophobicContact CG1-CD1 3.7Å; V129-F224 HydrophobicContact CG1-CD2 3.95Å; V129-F224 HydrophobicContact CG1-CE1 4.01Å; V129-F224 HydrophobicContact CG1-CE2 4.23Å; V129-F224 HydrophobicContact CG1-CG 3.66Å; V129-F224 HydrophobicContact CG1-CZ 4.26Å; V129-C227 HydrophobicContact CG2-CB 4.3Å |
| 130 | M | 87.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69 | -36.7 | -178.5 | -70.2 | -173.9 | -83.4 | 0 | 0 | 113.5 | E126 R127 A133 M134 L144 F156 M158 F224 | E126-M130 HydrophobicContact CG-CE 3.54Å; E126-M130 VanDerWaalsContact O-CE 3.31Å; E126-M130 WeakPolarHBondContact O-CE 3.16Å; E126-M130 PolarHBondContact O-N 2.83Å; R127-M130 PolarHBondContact O-N 3.08Å; M130-A133 PolarHBondContact O-N 3.08Å; M130-M134 WeakPolarHBondContact O-CB 3.33Å; M130-M134 PolarHBondContact O-N 3.12Å; M130-L144 HydrophobicContact CB-CB 3.62Å; M130-L144 HydrophobicContact CB-CD2 4.01Å; M130-L144 HydrophobicContact CB-CG 4.44Å; M130-L144 HydrophobicContact CG-CB 4.37Å; M130-L144 HydrophobicContact SD-CB 4Å; M130-F156 HydrophobicContact CE-CD1 3.47Å; M130-F156 VanDerWaalsContact CE-CD1 3.47Å; M130-F156 HydrophobicContact CE-CE1 3.66Å; M130-F156 HydrophobicContact CE-CG 4.33Å; M130-M158 HydrophobicContact CE-SD 4.3Å; M130-M158 HydrophobicContact SD-CG 4.25Å; M130-M158 HydrophobicContact SD-SD 3.9Å; M130-F224 HydrophobicContact CG-CD2 3.51Å; M130-F224 HydrophobicContact CG-CE2 3.57Å; M130-F224 HydrophobicContact SD-CD2 4.13Å; M130-F224 HydrophobicContact SD-CE2 4.26Å |
| 131 | V | 84.7 | Confident | 80.9 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 174.4 | 172 | 0 | 0 | 0 | 0 | 110.2 | R127 M134 V135 L144 F405 L414 | R127-V131 HydrophobicContact CG-CG2 4.18Å; R127-V131 WeakPolarHBondContact O-CB 3.4Å; R127-V131 VanDerWaalsContact O-CG2 3.3Å; R127-V131 WeakPolarHBondContact O-CG2 3.36Å; R127-V131 PolarHBondContact O-N 2.79Å; V131-M134 PolarHBondContact O-N 3.22Å; V131-V135 WeakPolarHBondContact O-CG2 3.46Å; V131-V135 PolarHBondContact O-N 3.14Å; V131-L144 HydrophobicContact CG2-CD2 3.91Å; V131-F405 HydrophobicContact CG1-CE2 4.1Å; V131-F405 HydrophobicContact CG1-CZ 4.15Å; V131-F405 HydrophobicContact CG2-CD1 3.84Å; V131-F405 HydrophobicContact CG2-CD2 4.2Å; V131-F405 HydrophobicContact CG2-CE1 3.92Å; V131-F405 HydrophobicContact CG2-CE2 4.27Å; V131-F405 HydrophobicContact CG2-CG 3.99Å; V131-F405 HydrophobicContact CG2-CZ 4.13Å; V131-L414 HydrophobicContact CG1-CD1 3.97Å |
| 132 | K | 84.5 | Confident | 83 | Confident | 76 Ų | 76 | 39.1 Ų | 39.1 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.1 | -76.2 | 171.1 | 173.7 | -178 | 0 | 112.7 | D128 V129 M134 V135 S136 L199 Y201 | D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.46Å; D128-K132 WeakPolarHBondContact O-CD 3.41Å; D128-K132 WeakPolarHBondContact O-CG 3.33Å; D128-K132 PolarHBondContact O-N 3.11Å; V129-K132 PolarHBondContact O-N 3.21Å; K132-M134 VanDerWaalsContact C-N 3.27Å; K132-M134 PolarHBondContact O-N 3.17Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-N 3.11Å; K132-S136 PolarHBondContact O-N 3.11Å; K132-S136 PolarHBondContact O-OG 2.78Å; K132-L199 HydrophobicContact CB-CD1 4.04Å; K132-L199 HydrophobicContact CB-CD2 4.04Å; K132-Y201 HydrophobicContact CD-CE2 3.84Å; K132-Y201 VanDerWaalsContact NZ-CE2 3.3Å; K132-Y201 PolarHBondContact NZ-OH 2.83Å |
| 133 | A | 85.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V129 M130 S136 K137 S138 L141 L199 | V129-A133 WeakPolarHBondContact O-CB 3.41Å; V129-A133 PolarHBondContact O-N 3.16Å; M130-A133 PolarHBondContact O-N 3.08Å; A133-S136 PolarHBondContact O-OG 3.32Å; A133-K137 WeakPolarHBondContact O-CA 3.21Å; A133-K137 PolarHBondContact O-N 3.3Å; A133-S138 PolarHBondContact O-N 2.95Å; A133-L141 HydrophobicContact CB-CB 3.88Å; A133-L141 HydrophobicContact CB-CD1 3.75Å; A133-L141 HydrophobicContact CB-CG 4.44Å; A133-L199 HydrophobicContact CB-CD1 4Å |
| 134 | M | 84.7 | Confident | 85.4 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 173.9 | -168.5 | -165.1 | 73.1 | 0 | 0 | 112.2 | M130 V131 K132 K137 F405 N407 L414 | M130-M134 WeakPolarHBondContact O-CB 3.33Å; M130-M134 PolarHBondContact O-N 3.12Å; V131-M134 PolarHBondContact O-N 3.22Å; K132-M134 VanDerWaalsContact C-N 3.27Å; K132-M134 PolarHBondContact O-N 3.17Å; M134-K137 PolarHBondContact O-N 2.84Å; M134-F405 HydrophobicContact CE-CE1 4.18Å; M134-F405 HydrophobicContact CE-CZ 3.81Å; M134-N407 HydrophobicContact CE-CB 4.42Å; M134-N407 WeakPolarHBondContact CE-OD1 3.24Å; M134-N407 HydrophobicContact SD-CB 4.18Å; M134-N407 PolarHBondContact SD-ND2 2.9Å; M134-L414 HydrophobicContact CE-CD1 4.18Å |
| 135 | V | 80.6 | Confident | 86.3 | Confident | 72 Ų | 72 | 39 Ų | 39 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70 | -42.5 | 177.2 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | V131 K132 K137 L414 | V131-V135 WeakPolarHBondContact O-CG2 3.46Å; V131-V135 PolarHBondContact O-N 3.14Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-N 3.11Å; V135-K137 PolarHBondContact O-N 3.49Å; V135-L414 HydrophobicContact CG2-CD1 3.41Å; V135-L414 VanDerWaalsContact CG2-CD1 3.41Å; V135-L414 HydrophobicContact CG2-CD2 3.79Å; V135-L414 HydrophobicContact CG2-CG 4.26Å |
| 136 | S | 80.7 | Confident | 87 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -74 | -9 | 174 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | K132 A133 S138 | K132-S136 PolarHBondContact O-N 3.11Å; K132-S136 PolarHBondContact O-OG 2.78Å; A133-S136 PolarHBondContact O-OG 3.32Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 3.38Å |
| 137 | K | 84 | Confident | 87.3 | Confident | 156 Ų | 156 | 37 Ų | 37 | 68% | 0.678 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 37 | -174.9 | -52.8 | 175.5 | -174.6 | 171.7 | 0 | 112.8 | A133 M134 V135 L139 | A133-K137 WeakPolarHBondContact O-CA 3.21Å; A133-K137 PolarHBondContact O-N 3.3Å; M134-K137 PolarHBondContact O-N 2.84Å; V135-K137 PolarHBondContact O-N 3.49Å; K137-L139 PolarHBondContact O-N 3.45Å |
| 138 | S | 87.1 | Confident | 87.7 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | trans | -57.1 | 130.6 | 176.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | A133 S136 W140 | A133-S138 PolarHBondContact O-N 2.95Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 3.38Å; S138-W140 VanDerWaalsContact C-N 3.31Å; S138-W140 PolarHBondContact OG-N 3.48Å | ||
| 139 | L | 89.5 | Confident | 88 | Confident | 100 Ų | 100 | 34.7 Ų | 34.7 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -79.2 | -19.3 | 175.9 | -59.3 | 175.2 | 0 | 0 | 0 | 112.1 | K137 | K137-L139 PolarHBondContact O-N 3.45Š|
| 140 | W | 93 | Very high | 88.2 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -99.8 | -7 | -165 | -57.2 | 114.8 | 0 | 0 | 0 | 114.9 | S138 E188 L191 A192 S195 V220 L221 I355 H356 | S138-W140 VanDerWaalsContact C-N 3.31Å; S138-W140 PolarHBondContact OG-N 3.48Å; W140-E188 HydrophobicContact CE3-CB 4.48Å; W140-E188 HydrophobicContact CH2-CB 4.2Å; W140-E188 HydrophobicContact CH2-CG 3.9Å; W140-E188 HydrophobicContact CZ3-CB 3.73Å; W140-E188 HydrophobicContact CZ3-CG 3.75Å; W140-E188 WeakPolarHBondContact CZ3-OE1 3.41Å; W140-L191 HydrophobicContact CD2-CB 4.34Å; W140-L191 HydrophobicContact CH2-CD1 4.29Å; W140-L191 HydrophobicContact CZ2-CB 4.12Å; W140-L191 HydrophobicContact CZ2-CD1 3.64Å; W140-A192 HydrophobicContact CB-CB 3.81Å; W140-A192 HydrophobicContact CG-CB 4.46Å; W140-S195 VanDerWaalsContact CD1-OG 3.26Å; W140-V220 CarbonylContact O-C 3.53Å; W140-V220 WeakPolarHBondContact O-CA 3.3Å; W140-L221 PolarHBondContact O-N 3.01Å; W140-I355 HydrophobicContact CH2-CG2 4.13Å; W140-I355 HydrophobicContact CZ2-CG2 4.2Å; W140-H356 HydrophobicContact CH2-CB 4.05Å; W140-H356 AromaticContact CH2-ND1 3.6Å; W140-H356 HydrophobicContact CZ2-CB 4.16Å; W140-H356 AromaticContact CZ3-ND1 3.73Å |
| 141 | L | 93.3 | Very high | 88 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -119.6 | 137.4 | -172.9 | -58.9 | 179.9 | 0 | 0 | 0 | 110.5 | A133 K143 L196 L199 L221 F224 | A133-L141 HydrophobicContact CB-CB 3.88Å; A133-L141 HydrophobicContact CB-CD1 3.75Å; A133-L141 HydrophobicContact CB-CG 4.44Å; L141-K143 PolarHBondContact O-N 3.45Å; L141-L196 HydrophobicContact CD2-CB 4.29Å; L141-L199 HydrophobicContact CD1-CD1 3.71Å; L141-L221 HydrophobicContact CD2-CB 4.05Å; L141-L221 HydrophobicContact CD2-CD2 4.28Å; L141-F224 HydrophobicContact CB-CZ 4.02Å; L141-F224 HydrophobicContact CD2-CE1 4.06Å; L141-F224 HydrophobicContact CD2-CZ 4.08Å |
| 142 | A | 91.4 | Very high | 88 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 131.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y161 L221 A222 F224 | A142-Y161 HydrophobicContact CB-CE2 4.11Å; A142-L221 WeakPolarHBondContact CB-O 3.48Å; A142-L221 PolarHBondContact N-O 3.27Å; A142-A222 HydrophobicContact CB-CB 3.96Å; A142-F224 HydrophobicContact CB-CE2 4.16Å |
| 143 | K | 89.3 | Confident | 88.2 | Confident | 98 Ų | 98 | 44.1 Ų | 44.1 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -95 | 125.5 | -165.8 | -174.3 | 171.1 | 174 | -172.9 | 0 | 113.3 | L141 M158 D159 Y161 | L141-K143 PolarHBondContact O-N 3.45Å; K143-M158 CarbonylContact O-C 3.4Å; K143-M158 VanDerWaalsContact O-CA 3.24Å; K143-M158 WeakPolarHBondContact O-CA 3.49Å; K143-M158 WeakPolarHBondContact O-CB 3.4Å; K143-D159 WeakPolarHBondContact CB-OD2 3.01Å; K143-D159 WeakPolarHBondContact CD-OD2 2.89Å; K143-D159 PolarHBondContact O-N 3.34Å; K143-Y161 PolarHBondContact N-OH 2.95Å; K143-Y161 VanDerWaalsContact N-OH 3.09Å |
| 144 | L | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.3 | 174.9 | 179.3 | 66.6 | 0 | 0 | 0 | 111.7 | M130 V131 T147 F156 M158 F405 | M130-L144 HydrophobicContact CB-CB 3.62Å; M130-L144 HydrophobicContact CB-CD2 4.01Å; M130-L144 HydrophobicContact CB-CG 4.44Å; M130-L144 HydrophobicContact CG-CB 4.37Å; M130-L144 HydrophobicContact SD-CB 4Å; V131-L144 HydrophobicContact CG2-CD2 3.91Å; L144-T147 HydrophobicContact CD1-CG2 3.88Å; L144-T147 HydrophobicContact CD2-CG2 4.02Å; L144-F156 HydrophobicContact CD1-CB 4.17Å; L144-F156 HydrophobicContact CD1-CD1 4.01Å; L144-M158 HydrophobicContact CD1-CG 4.21Å; L144-F405 HydrophobicContact CD2-CD1 4.25Å |
| 145 | H | 89.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -53.6 | 169.2 | -67 | -99.3 | 0 | 0 | 0 | 111.2 | Y104 L157 D159 N407 | Y104-H145 AromaticContact CD1-CD2 3.96Å; Y104-H145 AromaticContact CE1-CD2 3.71Å; Y104-H145 AromaticContact CE1-CE1 3.8Å; Y104-H145 AromaticContact CE1-CG 3.83Å; Y104-H145 AromaticContact CE1-ND1 3.9Å; Y104-H145 AromaticContact CE1-NE2 3.68Å; H145-L157 HydrophobicContact CB-CD2 4.39Å; H145-L157 PolarHBondContact N-O 3.32Å; H145-D159 IonicContact CD2-OD1 3.76Å; H145-D159 IonicContact CE1-OD1 2.99Å; H145-D159 IonicContact NE2-OD1 3.81Å; H145-D159 PolarHBondContact NE2-OD1 2.88Å; H145-D159 IonicContact NE2-OD2 2.74Å; H145-D159 PolarHBondContact NE2-OD2 3.31Å; H145-N407 WeakPolarHBondContact O-CB 3.48Å; H145-N407 PolarHBondContact O-N 3.39Å |
| 146 | H | 90.7 | Very high | 89.5 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 142.6 | -174.9 | -59.7 | -53 | 0 | 0 | 0 | 111.5 | I73 W97 L157 F405 N407 | I73-H146 HydrophobicContact CD1-CB 3.81Å; W97-H146 AromaticContact CH2-CD2 3.63Å; W97-H146 AromaticContact CH2-NE2 3.49Å; W97-H146 WeakPolarHBondContact CH2-NE2 3.11Å; W97-H146 AromaticContact CZ3-CD2 3.88Å; W97-H146 AromaticContact CZ3-NE2 3.78Å; H146-L157 HydrophobicContact CB-CB 4.36Å; H146-L157 PolarHBondContact N-O 3.49Å; H146-L157 WeakPolarHBondContact O-CB 3.38Å; H146-L157 PolarHBondContact O-N 3.24Å; H146-F405 CarbonylContact C-O 3.58Å; H146-F405 WeakPolarHBondContact CA-O 3.26Å; H146-N407 PolarHBondContact ND1-N 3.38Å |
| 147 | T | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.9 | 159.3 | 54.2 | 0 | 0 | 0 | 0 | 111 | R127 L144 Y155 F156 F403 F405 | R127-T147 HydrophobicContact CG-CG2 4.36Å; L144-T147 HydrophobicContact CD1-CG2 3.88Å; L144-T147 HydrophobicContact CD2-CG2 4.02Å; T147-Y155 WeakPolarHBondContact CA-O 3.31Å; T147-Y155 WeakPolarHBondContact CB-O 3.43Å; T147-F156 HydrophobicContact CG2-CB 4.39Å; T147-F156 HydrophobicContact CG2-CD1 3.28Å; T147-F156 HydrophobicContact CG2-CE1 3.71Å; T147-F156 HydrophobicContact CG2-CG 3.91Å; T147-F403 WeakPolarHBondContact CB-O 3.41Å; T147-F403 HydrophobicContact CG2-CE1 4.18Å; T147-F403 HydrophobicContact CG2-CE2 4.41Å; T147-F403 HydrophobicContact CG2-CZ 3.84Å; T147-F403 PolarHBondContact OG1-O 3.3Å; T147-F405 PolarHBondContact N-O 3.2Å; T147-F405 PolarHBondContact O-N 3.15Å; T147-F405 VanDerWaalsContact O-N 3.09Å; T147-F405 VanDerWaalsContact OG1-CB 3.29Å; T147-F405 WeakPolarHBondContact OG1-CB 3.28Å; T147-F405 PolarHBondContact OG1-N 3.3Å |
| 148 | F | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 163 | 179.6 | 60.7 | -85.2 | 0 | 0 | 0 | 110.8 | I73 F78 L106 Y155 F403 | I73-F148 HydrophobicContact CB-CB 4.07Å; I73-F148 HydrophobicContact CB-CD1 3.91Å; I73-F148 HydrophobicContact CB-CD2 4.29Å; I73-F148 HydrophobicContact CB-CE1 4.41Å; I73-F148 HydrophobicContact CB-CG 3.84Å; I73-F148 HydrophobicContact CG2-CD1 3.6Å; I73-F148 HydrophobicContact CG2-CD2 4.16Å; I73-F148 HydrophobicContact CG2-CE1 3.6Å; I73-F148 HydrophobicContact CG2-CE2 4.15Å; I73-F148 HydrophobicContact CG2-CG 3.89Å; I73-F148 HydrophobicContact CG2-CZ 3.88Å; I73-F148 WeakPolarHBondContact O-CD2 3.35Å; F78-F148 HydrophobicContact CD2-CZ 4.25Å; F78-F148 AromaticContact CE2-CE1 3.98Å; F78-F148 HydrophobicContact CE2-CE1 3.98Å; F78-F148 HydrophobicContact CE2-CE2 4.49Å; F78-F148 AromaticContact CE2-CZ 3.6Å; F78-F148 HydrophobicContact CE2-CZ 3.6Å; F78-F148 HydrophobicContact CZ-CE1 4.29Å; F78-F148 HydrophobicContact CZ-CZ 4.34Å; L106-F148 HydrophobicContact CD1-CE1 4.04Å; L106-F148 HydrophobicContact CD1-CZ 3.87Å; F148-Y155 AromaticContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CD2 3.46Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CE2 4.35Å; F148-Y155 HydrophobicContact CD2-CG 4.01Å; F148-Y155 HydrophobicContact CE1-CG 4.47Å; F148-Y155 HydrophobicContact CE2-CD1 4.49Å; F148-Y155 AromaticContact CE2-CD2 3.23Å; F148-Y155 HydrophobicContact CE2-CD2 3.23Å; F148-Y155 AromaticContact CE2-CE2 3.97Å; F148-Y155 HydrophobicContact CE2-CE2 3.97Å; F148-Y155 AromaticContact CE2-CG 3.53Å; F148-Y155 HydrophobicContact CE2-CG 3.53Å; F148-Y155 HydrophobicContact CG-CD2 4.39Å; F148-Y155 HydrophobicContact CZ-CD2 4Å; F148-Y155 AromaticContact CZ-CG 3.8Å; F148-Y155 HydrophobicContact CZ-CG 3.8Å; F148-Y155 PolarHBondContact N-O 3.39Å; F148-Y155 VanDerWaalsContact N-O 3.09Å; F148-Y155 WeakPolarHBondContact O-CB 3.48Å; F148-Y155 PolarHBondContact O-N 3.33Å; F148-F403 WeakPolarHBondContact O-CE1 3.45Å |
| 149 | Q | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154.1 | -174.9 | 58.5 | 176.1 | -41.9 | 0 | 0 | 113.5 | D34 W72 K111 F153 L154 C400 F403 | D34-Q149 PolarHBondContact OD1-NE2 3.26Å; D34-Q149 PolarHBondContact OD2-NE2 3.41Å; D34-Q149 VanDerWaalsContact OD2-NE2 3.09Å; W72-Q149 HydrophobicContact CH2-CG 4.41Å; W72-Q149 HydrophobicContact CZ3-CG 4.08Å; K111-Q149 VanDerWaalsContact CE-OE1 3.3Å; Q149-F153 WeakPolarHBondContact CA-O 3.44Å; Q149-L154 HydrophobicContact CB-CD2 3.78Å; Q149-C400 PolarHBondContact NE2-O 2.75Å; Q149-F403 HydrophobicContact CB-CD1 4.19Å |
| 150 | D | 89 | Confident | 91 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 30% | 0.299 | 13% | 0.126 | S | C | . | . | trans | -123 | -166.4 | 170.2 | 75.3 | 19.4 | 0 | 0 | 0 | 111.6 | K111 K152 F153 Y155 | K111-D150 PolarHBondContact NZ-O 3.09Å; D150-K152 PolarHBondContact O-N 3.32Å; D150-K152 WeakPolarHBondContact OD1-CA 3.44Å; D150-K152 PolarHBondContact OD1-N 2.82Å; D150-F153 PolarHBondContact N-O 2.75Å; D150-F153 VanDerWaalsContact N-O 3.09Å; D150-F153 PolarHBondContact OD1-N 2.86Å; D150-Y155 PolarHBondContact OD2-OH 2.88Å | ||
| 151 | E | 83.5 | Confident | 91 | Very high | 72 Ų | 72 | 27.1 Ų | 27.1 | 34% | 0.336 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -63.8 | -18.8 | 179.8 | -177.8 | 163.3 | -140.6 | 0 | 0 | 113.8 | Y41 K44 Q397 | Y41-E151 HydrophobicContact CE1-CB 4.36Å; Y41-E151 HydrophobicContact CE2-CB 4.39Å; K44-E151 WeakPolarHBondContact CD-OE1 3.12Å; K44-E151 VanDerWaalsContact CE-OE1 3.26Å; K44-E151 WeakPolarHBondContact CE-OE1 3.17Å; K44-E151 IonicContact NZ-OE1 3.29Å; K44-E151 PolarHBondContact NZ-OE1 2.96Å; K44-E151 IonicContact NZ-OE2 3.85Å; K44-E151 PolarHBondContact NZ-OE2 3.2Å; E151-Q397 PolarHBondContact O-NE2 3.36Å |
| 152 | K | 83.7 | Confident | 90.8 | Very high | 115 Ų | 115 | 27.8 Ų | 27.8 | 50% | 0.5 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -122.5 | -35.3 | -174.3 | -66.5 | -174.5 | 177.8 | -171.6 | 0 | 114.8 | H110 K111 D150 | H110-K152 PolarHBondContact CD2-O 2.75Å; K111-K152 WeakPolarHBondContact CB-O 3.48Å; K111-K152 WeakPolarHBondContact CG-O 3.26Å; K111-K152 PolarHBondContact N-O 3.47Å; D150-K152 PolarHBondContact O-N 3.32Å; D150-K152 WeakPolarHBondContact OD1-CA 3.44Å; D150-K152 PolarHBondContact OD1-N 2.82Å |
| 153 | F | 88.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 27.8 Ų | 27.8 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155.4 | -167.2 | -66.8 | -85.8 | 0 | 0 | 0 | 113.3 | L109 H110 Q149 D150 Y155 | L109-F153 CarbonylContact O-C 3.6Å; L109-F153 VanDerWaalsContact O-CA 3.28Å; L109-F153 WeakPolarHBondContact O-CA 3.31Å; H110-F153 HydrophobicContact CB-CD1 4.07Å; H110-F153 HydrophobicContact CB-CE1 3.83Å; H110-F153 AromaticContact CD2-CE1 3.68Å; H110-F153 AromaticContact CD2-CZ 3.79Å; Q149-F153 WeakPolarHBondContact CA-O 3.44Å; D150-F153 PolarHBondContact N-O 2.75Å; D150-F153 VanDerWaalsContact N-O 3.09Å; D150-F153 PolarHBondContact OD1-N 2.86Å; F153-Y155 HydrophobicContact CB-CD2 4.42Å; F153-Y155 HydrophobicContact CB-CE1 3.83Å; F153-Y155 HydrophobicContact CB-CE2 3.72Å; F153-Y155 WeakPolarHBondContact CB-OH 3.5Å; F153-Y155 WeakPolarHBondContact CD2-OH 3.09Å; F153-Y155 HydrophobicContact CG-CE1 4.29Å; F153-Y155 AromaticContact CG-CZ 3.95Å; F153-Y155 WeakPolarHBondContact CG-OH 3.48Å |
| 154 | L | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.7 | 161 | -58.1 | -177.4 | 0 | 0 | 0 | 108.4 | L109 K111 M114 F123 Q149 C400 F403 | L109-L154 HydrophobicContact CB-CB 4.47Å; L109-L154 PolarHBondContact N-O 3.43Å; L109-L154 PolarHBondContact O-N 3.16Å; K111-L154 HydrophobicContact CD-CD2 4.35Å; K111-L154 HydrophobicContact CG-CD2 4.09Å; K111-L154 HydrophobicContact CG-CG 3.92Å; M114-L154 HydrophobicContact CE-CD1 4.15Å; M114-L154 HydrophobicContact SD-CD1 3.99Å; F123-L154 HydrophobicContact CB-CD1 4.39Å; F123-L154 HydrophobicContact CD1-CD1 3.89Å; F123-L154 HydrophobicContact CD2-CD1 3.9Å; F123-L154 HydrophobicContact CE1-CD1 4.02Å; F123-L154 HydrophobicContact CE2-CD1 4.06Å; F123-L154 HydrophobicContact CG-CD1 3.81Å; F123-L154 HydrophobicContact CZ-CD1 4.11Å; Q149-L154 HydrophobicContact CB-CD2 3.78Å; L154-C400 HydrophobicContact CD2-CB 4.03Å; L154-F403 HydrophobicContact CB-CD1 4.29Å; L154-F403 HydrophobicContact CB-CE1 3.76Å; L154-F403 HydrophobicContact CB-CE2 4.14Å; L154-F403 HydrophobicContact CB-CZ 3.69Å; L154-F403 HydrophobicContact CD1-CD2 4.03Å; L154-F403 HydrophobicContact CD1-CE2 4.06Å; L154-F403 HydrophobicContact CD1-CG 4.39Å; L154-F403 HydrophobicContact CD1-CZ 4.46Å; L154-F403 HydrophobicContact CD2-CB 4.37Å; L154-F403 HydrophobicContact CD2-CD1 3.7Å; L154-F403 HydrophobicContact CD2-CD2 4.28Å; L154-F403 HydrophobicContact CD2-CE1 4.06Å; L154-F403 HydrophobicContact CD2-CG 3.81Å; L154-F403 HydrophobicContact CG-CD1 4.46Å; L154-F403 HydrophobicContact CG-CE1 4.4Å; L154-F403 HydrophobicContact CG-CE2 4.5Å; L154-F403 HydrophobicContact CG-CZ 4.44Å |
| 155 | Y | 93.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.02 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.9 | -178.1 | -61.3 | -68.8 | 0 | 0 | 0 | 111.6 | K75 L106 K107 S108 T147 F148 D150 F153 F403 | K75-Y155 HydrophobicContact CB-CE2 4.36Å; K75-Y155 HydrophobicContact CD-CE1 3.7Å; K75-Y155 WeakPolarHBondContact CD-OH 3.46Å; L106-Y155 HydrophobicContact CD1-CD1 4.36Å; L106-Y155 HydrophobicContact CD2-CD1 4.46Å; L106-Y155 HydrophobicContact CG-CD1 4.39Å; K107-Y155 WeakPolarHBondContact O-CA 3.45Å; S108-Y155 WeakPolarHBondContact OG-CD1 3.18Å; S108-Y155 WeakPolarHBondContact OG-CE1 3.18Å; T147-Y155 WeakPolarHBondContact CA-O 3.31Å; T147-Y155 WeakPolarHBondContact CB-O 3.43Å; F148-Y155 AromaticContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CD2 3.46Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CE2 4.35Å; F148-Y155 HydrophobicContact CD2-CG 4.01Å; F148-Y155 HydrophobicContact CE1-CG 4.47Å; F148-Y155 HydrophobicContact CE2-CD1 4.49Å; F148-Y155 AromaticContact CE2-CD2 3.23Å; F148-Y155 HydrophobicContact CE2-CD2 3.23Å; F148-Y155 AromaticContact CE2-CE2 3.97Å; F148-Y155 HydrophobicContact CE2-CE2 3.97Å; F148-Y155 AromaticContact CE2-CG 3.53Å; F148-Y155 HydrophobicContact CE2-CG 3.53Å; F148-Y155 HydrophobicContact CG-CD2 4.39Å; F148-Y155 HydrophobicContact CZ-CD2 4Å; F148-Y155 AromaticContact CZ-CG 3.8Å; F148-Y155 HydrophobicContact CZ-CG 3.8Å; F148-Y155 PolarHBondContact N-O 3.39Å; F148-Y155 VanDerWaalsContact N-O 3.09Å; F148-Y155 WeakPolarHBondContact O-CB 3.48Å; F148-Y155 PolarHBondContact O-N 3.33Å; D150-Y155 PolarHBondContact OD2-OH 2.88Å; F153-Y155 HydrophobicContact CB-CD2 4.42Å; F153-Y155 HydrophobicContact CB-CE1 3.83Å; F153-Y155 HydrophobicContact CB-CE2 3.72Å; F153-Y155 WeakPolarHBondContact CB-OH 3.5Å; F153-Y155 WeakPolarHBondContact CD2-OH 3.09Å; F153-Y155 HydrophobicContact CG-CE1 4.29Å; F153-Y155 AromaticContact CG-CZ 3.95Å; F153-Y155 WeakPolarHBondContact CG-OH 3.48Å; Y155-F403 WeakPolarHBondContact O-CE1 3.19Å |
| 156 | F | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.7 | 164.3 | -60.2 | -101.4 | 0 | 0 | 0 | 109.3 | L106 K107 L109 F123 E126 R127 M130 L144 T147 M158 F403 | L106-F156 WeakPolarHBondContact CA-O 3.27Å; K107-F156 HydrophobicContact CB-CB 4.28Å; K107-F156 HydrophobicContact CD-CD2 4.43Å; K107-F156 PolarHBondContact N-O 2.86Å; K107-F156 PolarHBondContact O-N 3.28Å; L109-F156 HydrophobicContact CD1-CD2 4.33Å; L109-F156 HydrophobicContact CD1-CE2 3.84Å; F123-F156 HydrophobicContact CB-CZ 4.41Å; E126-F156 HydrophobicContact CB-CZ 4.22Å; E126-F156 HydrophobicContact CG-CE1 3.9Å; E126-F156 HydrophobicContact CG-CE2 4.45Å; E126-F156 HydrophobicContact CG-CZ 3.76Å; R127-F156 HydrophobicContact CB-CE1 4.06Å; M130-F156 HydrophobicContact CE-CD1 3.47Å; M130-F156 VanDerWaalsContact CE-CD1 3.47Å; M130-F156 HydrophobicContact CE-CE1 3.66Å; M130-F156 HydrophobicContact CE-CG 4.33Å; L144-F156 HydrophobicContact CD1-CB 4.17Å; L144-F156 HydrophobicContact CD1-CD1 4.01Å; T147-F156 HydrophobicContact CG2-CB 4.39Å; T147-F156 HydrophobicContact CG2-CD1 3.28Å; T147-F156 HydrophobicContact CG2-CE1 3.71Å; T147-F156 HydrophobicContact CG2-CG 3.91Å; F156-M158 HydrophobicContact CB-CG 4.19Å; F156-M158 HydrophobicContact CB-SD 4.17Å; F156-F403 HydrophobicContact CD1-CZ 4.49Å; F156-F403 HydrophobicContact CD2-CZ 4.05Å; F156-F403 HydrophobicContact CE1-CE2 4.07Å; F156-F403 HydrophobicContact CE1-CZ 4.21Å; F156-F403 AromaticContact CE2-CE2 3.79Å; F156-F403 HydrophobicContact CE2-CE2 3.79Å; F156-F403 AromaticContact CE2-CZ 3.74Å; F156-F403 HydrophobicContact CE2-CZ 3.74Å; F156-F403 HydrophobicContact CG-CZ 4.42Å; F156-F403 AromaticContact CZ-CE2 3.54Å; F156-F403 HydrophobicContact CZ-CE2 3.54Å; F156-F403 AromaticContact CZ-CZ 3.85Å; F156-F403 HydrophobicContact CZ-CZ 3.85Å |
| 157 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.5 | 172.2 | -172.3 | 78 | 0 | 0 | 0 | 109.1 | F78 V95 W97 Y104 L106 H145 H146 | F78-L157 HydrophobicContact CD1-CD1 4.11Å; F78-L157 HydrophobicContact CE1-CD1 3.46Å; F78-L157 VanDerWaalsContact CE1-CD1 3.46Å; F78-L157 HydrophobicContact CE1-CD2 3.86Å; F78-L157 HydrophobicContact CE1-CG 4.31Å; F78-L157 HydrophobicContact CZ-CD1 3.91Å; F78-L157 HydrophobicContact CZ-CD2 3.93Å; V95-L157 HydrophobicContact CG2-CD1 4.02Å; W97-L157 HydrophobicContact CE3-CD2 4.32Å; W97-L157 HydrophobicContact CZ3-CD2 4.39Å; Y104-L157 HydrophobicContact CD1-CD1 4.47Å; Y104-L157 HydrophobicContact CD1-CD2 4.34Å; Y104-L157 HydrophobicContact CD1-CG 4.12Å; Y104-L157 HydrophobicContact CD2-CD1 4.39Å; Y104-L157 HydrophobicContact CG-CD1 3.91Å; Y104-L157 HydrophobicContact CG-CD2 4.3Å; Y104-L157 HydrophobicContact CG-CG 4.05Å; L106-L157 HydrophobicContact CD1-CB 4.42Å; L106-L157 HydrophobicContact CD1-CD1 4.02Å; H145-L157 HydrophobicContact CB-CD2 4.39Å; H145-L157 PolarHBondContact N-O 3.32Å; H146-L157 HydrophobicContact CB-CB 4.36Å; H146-L157 PolarHBondContact N-O 3.49Å; H146-L157 WeakPolarHBondContact O-CB 3.38Å; H146-L157 PolarHBondContact O-N 3.24Å |
| 158 | M | 93.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 11% | 0.108 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 163.3 | -170.4 | -55.9 | 169.6 | -61.7 | 0 | 0 | 110.5 | Y104 A105 K107 M130 K143 L144 F156 | Y104-M158 WeakPolarHBondContact CA-O 3.03Å; A105-M158 HydrophobicContact CB-CB 4.46Å; A105-M158 HydrophobicContact CB-CE 4.27Å; A105-M158 PolarHBondContact N-O 3.49Å; A105-M158 PolarHBondContact O-N 3.23Å; K107-M158 HydrophobicContact CB-CE 3.74Å; K107-M158 HydrophobicContact CD-CE 4.47Å; M130-M158 HydrophobicContact CE-SD 4.3Å; M130-M158 HydrophobicContact SD-CG 4.25Å; M130-M158 HydrophobicContact SD-SD 3.9Å; K143-M158 CarbonylContact O-C 3.4Å; K143-M158 VanDerWaalsContact O-CA 3.24Å; K143-M158 WeakPolarHBondContact O-CA 3.49Å; K143-M158 WeakPolarHBondContact O-CB 3.4Å; L144-M158 HydrophobicContact CD1-CG 4.21Å; F156-M158 HydrophobicContact CB-CG 4.19Å; F156-M158 HydrophobicContact CB-SD 4.17Å |
| 159 | D | 92.6 | Very high | 90 | Very high | 48 Ų | 48 | 25.7 Ų | 25.7 | 26% | 0.257 | 13% | 0.125 | S | C | . | . | trans | -58.1 | 147.6 | 167.8 | -82.2 | -35.9 | 0 | 0 | 0 | 111 | K143 H145 Y161 | K143-D159 WeakPolarHBondContact CB-OD2 3.01Å; K143-D159 WeakPolarHBondContact CD-OD2 2.89Å; K143-D159 PolarHBondContact O-N 3.34Å; H145-D159 IonicContact CD2-OD1 3.76Å; H145-D159 IonicContact CE1-OD1 2.99Å; H145-D159 IonicContact NE2-OD1 3.81Å; H145-D159 PolarHBondContact NE2-OD1 2.88Å; H145-D159 IonicContact NE2-OD2 2.74Å; H145-D159 PolarHBondContact NE2-OD2 3.31Å; D159-Y161 HydrophobicContact CB-CE1 4.41Å; D159-Y161 HydrophobicContact CB-CE2 4.02Å; D159-Y161 WeakPolarHBondContact O-CE2 3.41Å | ||
| 160 | F | 93.2 | Very high | 89.6 | Confident | 24 Ų | 24 | 25.8 Ų | 25.8 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | trans | -102.3 | 119.7 | 176.9 | 175.9 | -124.2 | 0 | 0 | 0 | 110.8 | I84 V94 I103 N162 P369 D371 T372 F375 | I84-F160 HydrophobicContact CD1-CD2 4.33Å; I84-F160 HydrophobicContact CD1-CE2 3.96Å; V94-F160 HydrophobicContact CG1-CD1 4.25Å; V94-F160 HydrophobicContact CG1-CE1 4.25Å; V94-F160 HydrophobicContact CG2-CD1 4.35Å; V94-F160 HydrophobicContact CG2-CD2 3.73Å; V94-F160 HydrophobicContact CG2-CE1 4.04Å; V94-F160 HydrophobicContact CG2-CE2 3.39Å; V94-F160 HydrophobicContact CG2-CG 4.22Å; V94-F160 HydrophobicContact CG2-CZ 3.57Å; I103-F160 HydrophobicContact CG2-CB 4.32Å; I103-F160 HydrophobicContact CG2-CD1 3.71Å; I103-F160 HydrophobicContact CG2-CE1 4.49Å; I103-F160 HydrophobicContact CG2-CG 4.3Å; F160-N162 HydrophobicContact CD1-CB 4.14Å; F160-N162 HydrophobicContact CE1-CB 3.62Å; F160-N162 HydrophobicContact CZ-CB 4.09Å; F160-N162 PolarHBondContact O-N 2.88Å; F160-P369 WeakPolarHBondContact CD1-O 3.38Å; F160-D371 WeakPolarHBondContact CE1-O 3.39Å; F160-D371 VanDerWaalsContact CZ-O 3.25Å; F160-D371 WeakPolarHBondContact CZ-O 3.45Å; F160-T372 HydrophobicContact CE1-CG2 4.41Å; F160-T372 HydrophobicContact CE2-CG2 4.49Å; F160-T372 HydrophobicContact CZ-CG2 3.71Å; F160-F375 HydrophobicContact CE2-CD2 4.4Å; F160-F375 AromaticContact CE2-CE2 3.5Å; F160-F375 HydrophobicContact CE2-CE2 3.5Å; F160-F375 AromaticContact CE2-CZ 3.9Å; F160-F375 HydrophobicContact CE2-CZ 3.9Å; F160-F375 HydrophobicContact CZ-CD2 4.46Å; F160-F375 AromaticContact CZ-CE2 3.76Å; F160-F375 HydrophobicContact CZ-CE2 3.76Å | ||
| 161 | Y | 92.8 | Very high | 89.2 | Confident | 24 Ų | 24 | 25 Ų | 25 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | trans | -97 | 79 | -174.5 | -61.6 | -77.6 | 0 | 0 | 0 | 110.4 | A142 K143 D159 G163 G164 L212 L213 Q214 V220 F375 | A142-Y161 HydrophobicContact CB-CE2 4.11Å; K143-Y161 PolarHBondContact N-OH 2.95Å; K143-Y161 VanDerWaalsContact N-OH 3.09Å; D159-Y161 HydrophobicContact CB-CE1 4.41Å; D159-Y161 HydrophobicContact CB-CE2 4.02Å; D159-Y161 WeakPolarHBondContact O-CE2 3.41Å; Y161-G163 PolarHBondContact O-N 2.65Å; Y161-G163 VanDerWaalsContact O-N 3.09Å; Y161-G164 PolarHBondContact O-N 2.82Å; Y161-G164 VanDerWaalsContact O-N 3.1Å; Y161-L212 HydrophobicContact CD2-CB 4.48Å; Y161-L212 HydrophobicContact CD2-CD1 3.87Å; Y161-L212 HydrophobicContact CG-CB 4.32Å; Y161-L212 HydrophobicContact CG-CD1 4.43Å; Y161-L213 CarbonylContact C-O 3.47Å; Y161-L213 WeakPolarHBondContact CB-O 3.43Å; Y161-Q214 HydrophobicContact CD1-CG 4.02Å; Y161-Q214 HydrophobicContact CE1-CG 4.23Å; Y161-V220 HydrophobicContact CD1-CG2 3.8Å; Y161-V220 HydrophobicContact CD2-CG2 4.09Å; Y161-V220 HydrophobicContact CE1-CB 4.5Å; Y161-V220 HydrophobicContact CE1-CG1 4.08Å; Y161-V220 HydrophobicContact CE1-CG2 3.67Å; Y161-V220 HydrophobicContact CE2-CG2 3.97Å; Y161-V220 HydrophobicContact CG-CG2 4.02Å; Y161-F375 WeakPolarHBondContact O-CE2 3.41Å; Y161-F375 WeakPolarHBondContact O-CZ 3.38Å | ||
| 162 | N | 89.8 | Confident | 89.1 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 10% | 0.102 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -5.6 | -175.3 | 62.1 | -7.9 | 0 | 0 | 0 | 115.4 | F160 G164 S215 V366 S368 N374 | F160-N162 HydrophobicContact CD1-CB 4.14Å; F160-N162 HydrophobicContact CE1-CB 3.62Å; F160-N162 HydrophobicContact CZ-CB 4.09Å; F160-N162 PolarHBondContact O-N 2.88Å; N162-G164 PolarHBondContact O-N 3.07Å; N162-S215 WeakPolarHBondContact OD1-CB 3.11Å; N162-V366 HydrophobicContact CB-CG1 4.48Å; N162-V366 VanDerWaalsContact ND2-CG1 3.26Å; N162-V366 WeakPolarHBondContact ND2-CG1 3.43Å; N162-S368 PolarHBondContact ND2-O 2.99Å; N162-S368 VanDerWaalsContact ND2-O 3.12Å; N162-N374 PolarHBondContact O-ND2 3.14Å |
| 163 | G | 89.9 | Confident | 89 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y161 L213 P364 N374 | Y161-G163 PolarHBondContact O-N 2.65Å; Y161-G163 VanDerWaalsContact O-N 3.09Å; G163-L213 WeakPolarHBondContact CA-O 3Å; G163-L213 PolarHBondContact N-O 3.38Å; G163-L213 VanDerWaalsContact N-O 3.08Å; G163-P364 VanDerWaalsContact CA-CG 3.46Å; G163-P364 WeakPolarHBondContact O-CB 3.48Å; G163-N374 VanDerWaalsContact O-CB 3.25Å; G163-N374 WeakPolarHBondContact O-CB 3.48Å |
| 164 | G | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.5 | -162 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y161 N162 L212 L213 N374 | Y161-G164 PolarHBondContact O-N 2.82Å; Y161-G164 VanDerWaalsContact O-N 3.1Å; N162-G164 PolarHBondContact O-N 3.07Å; G164-L212 CarbonylContact O-C 3.57Å; G164-L212 WeakPolarHBondContact O-CA 3.29Å; G164-L213 PolarHBondContact O-N 3.04Å; G164-N374 WeakPolarHBondContact CA-O 3.38Å |
| 165 | D | 90.6 | Very high | 87.1 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 156.6 | 169.5 | 54.1 | 71.5 | 0 | 0 | 0 | 111.5 | L167 T168 M169 L212 N374 F375 | D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 3.32Å; D165-T168 PolarHBondContact O-N 2.82Å; D165-T168 WeakPolarHBondContact OD1-CB 3.45Å; D165-T168 PolarHBondContact OD1-N 3.11Å; D165-T168 PolarHBondContact OD1-OG1 2.95Å; D165-T168 PolarHBondContact OD2-OG1 2.89Å; D165-M169 PolarHBondContact O-N 2.84Å; D165-L212 HydrophobicContact CB-CD2 4.01Å; D165-N374 PolarHBondContact N-O 3.46Å; D165-F375 HydrophobicContact CB-CD1 4.49Å; D165-F375 VanDerWaalsContact OD2-CD1 3.24Å; D165-F375 WeakPolarHBondContact OD2-CD1 3.49Å |
| 166 | M | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.3 | -23.1 | -178.6 | -179.1 | 176.5 | -87.1 | 0 | 0 | 112.5 | M169 L170 Y185 M189 P208 V211 L213 I219 M279 | M166-M169 HydrophobicContact CE-CE 4.44Å; M166-M169 WeakPolarHBondContact O-CB 3.43Å; M166-M169 PolarHBondContact O-N 3.02Å; M166-L170 WeakPolarHBondContact O-CG 3.3Å; M166-L170 PolarHBondContact O-N 2.8Å; M166-Y185 HydrophobicContact CE-CD1 4.18Å; M166-Y185 HydrophobicContact CE-CG 4.09Å; M166-M189 HydrophobicContact CE-SD 4.24Å; M166-M189 HydrophobicContact SD-SD 3.98Å; M166-P208 HydrophobicContact CB-CB 4.22Å; M166-P208 WeakPolarHBondContact CB-O 3.42Å; M166-P208 HydrophobicContact CG-CB 4.28Å; M166-P208 PolarHBondContact N-O 3.37Å; M166-P208 VanDerWaalsContact N-O 3.17Å; M166-V211 HydrophobicContact CB-CB 3.98Å; M166-V211 HydrophobicContact CB-CG1 4.26Å; M166-V211 WeakPolarHBondContact CB-O 3.49Å; M166-V211 HydrophobicContact CE-CB 4.4Å; M166-V211 HydrophobicContact CE-CG1 3.63Å; M166-V211 PolarHBondContact N-O 3.37Å; M166-V211 HydrophobicContact SD-CB 4.05Å; M166-V211 HydrophobicContact SD-CG1 3.93Å; M166-V211 HydrophobicContact SD-CG2 4.45Å; M166-L213 HydrophobicContact CB-CD1 4.25Å; M166-I219 HydrophobicContact CE-CG2 3.78Å; M166-M279 HydrophobicContact CE-CE 3.75Å; M166-M279 HydrophobicContact CG-CE 4.25Å; M166-M279 HydrophobicContact SD-CE 3.22Å; M166-M279 WeakPolarHBondContact SD-CE 3.44Å |
| 167 | L | 87.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 36.3 Ų | 36.3 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 170.2 | -174.7 | 61 | 0 | 0 | 0 | 111.4 | D165 M169 L170 S171 P208 D209 | D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 3.32Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 2.81Å; L167-L170 PolarHBondContact O-N 3.43Å; L167-S171 PolarHBondContact O-N 2.98Å; L167-P208 HydrophobicContact CB-CB 3.96Å; L167-P208 HydrophobicContact CD1-CB 4.47Å; L167-P208 PolarHBondContact N-O 3.47Å; L167-D209 WeakPolarHBondContact CD2-OD1 3.25Å |
| 168 | T | 84.7 | Confident | 85.6 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | 174.6 | -61 | 0 | 0 | 0 | 0 | 110.8 | D165 S171 K172 N374 | D165-T168 PolarHBondContact O-N 2.82Å; D165-T168 WeakPolarHBondContact OD1-CB 3.45Å; D165-T168 PolarHBondContact OD1-N 3.11Å; D165-T168 PolarHBondContact OD1-OG1 2.95Å; D165-T168 PolarHBondContact OD2-OG1 2.89Å; T168-S171 PolarHBondContact O-N 3.17Å; T168-S171 PolarHBondContact O-OG 3.27Å; T168-K172 WeakPolarHBondContact O-CG 3.38Å; T168-K172 PolarHBondContact O-N 3.19Å; T168-N374 WeakPolarHBondContact CB-O 3.33Å; T168-N374 WeakPolarHBondContact CG2-O 3.45Å; T168-N374 PolarHBondContact OG1-O 3Å |
| 169 | M | 84.6 | Confident | 85.5 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 171.7 | -167.4 | -143.6 | -67.3 | 0 | 0 | 112.3 | D165 M166 L167 S171 K172 F173 I177 Y185 L213 Y362 | D165-M169 PolarHBondContact O-N 2.84Å; M166-M169 HydrophobicContact CE-CE 4.44Å; M166-M169 WeakPolarHBondContact O-CB 3.43Å; M166-M169 PolarHBondContact O-N 3.02Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 2.81Å; M169-S171 PolarHBondContact O-N 3.43Å; M169-K172 WeakPolarHBondContact O-CB 3.43Å; M169-K172 PolarHBondContact O-N 3.25Å; M169-F173 HydrophobicContact CG-CD2 4.04Å; M169-F173 HydrophobicContact CG-CE2 3.84Å; M169-F173 WeakPolarHBondContact O-CD2 3.29Å; M169-F173 PolarHBondContact O-N 2.8Å; M169-F173 HydrophobicContact SD-CD2 4.31Å; M169-F173 HydrophobicContact SD-CE2 3.91Å; M169-I177 HydrophobicContact SD-CD1 3.86Å; M169-Y185 HydrophobicContact CE-CD2 3.99Å; M169-Y185 HydrophobicContact CE-CE1 4.17Å; M169-Y185 HydrophobicContact CE-CE2 3.44Å; M169-Y185 VanDerWaalsContact CE-CE2 3.44Å; M169-Y185 HydrophobicContact SD-CD2 4.32Å; M169-Y185 HydrophobicContact SD-CE2 3.9Å; M169-L213 HydrophobicContact CE-CD1 3.95Å; M169-L213 HydrophobicContact CE-CD2 3.47Å; M169-L213 VanDerWaalsContact CE-CD2 3.47Å; M169-L213 HydrophobicContact CE-CG 4.29Å; M169-Y362 HydrophobicContact CE-CD1 4.1Å; M169-Y362 HydrophobicContact CG-CD1 3.9Å; M169-Y362 HydrophobicContact CG-CE1 3.86Å; M169-Y362 HydrophobicContact CG-CG 4.43Å; M169-Y362 HydrophobicContact SD-CD1 4.26Å |
| 170 | L | 83.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.2 | -48.1 | 175.4 | -76.8 | 162.4 | 0 | 0 | 0 | 110.8 | M166 L167 K172 F173 D175 I177 P208 E278 M279 | M166-L170 WeakPolarHBondContact O-CG 3.3Å; M166-L170 PolarHBondContact O-N 2.8Å; L167-L170 PolarHBondContact O-N 3.43Å; L170-K172 PolarHBondContact O-N 3.3Å; L170-K172 VanDerWaalsContact O-N 3.13Å; L170-F173 PolarHBondContact O-N 2.93Å; L170-D175 PolarHBondContact O-N 3.21Å; L170-I177 HydrophobicContact CD2-CD1 3.66Å; L170-I177 HydrophobicContact CD2-CG1 4.06Å; L170-I177 HydrophobicContact CG-CD1 4.24Å; L170-P208 HydrophobicContact CD1-CB 3.74Å; L170-P208 HydrophobicContact CD1-CG 3.67Å; L170-E278 HydrophobicContact CD1-CG 4.37Å; L170-M279 HydrophobicContact CD2-CB 4.36Å; L170-M279 HydrophobicContact CD2-CG 3.96Å |
| 171 | S | 80.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.1 | -179.4 | 87.7 | 0 | 0 | 0 | 0 | 115.6 | L167 T168 M169 | L167-S171 PolarHBondContact O-N 2.98Å; T168-S171 PolarHBondContact O-N 3.17Å; T168-S171 PolarHBondContact O-OG 3.27Å; M169-S171 PolarHBondContact O-N 3.43Å |
| 172 | K | 80.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -18.9 | 171.7 | -72.4 | 169.8 | 177.5 | 171.9 | 0 | 113.1 | T168 M169 L170 D174 Y362 N374 | T168-K172 WeakPolarHBondContact O-CG 3.38Å; T168-K172 PolarHBondContact O-N 3.19Å; M169-K172 WeakPolarHBondContact O-CB 3.43Å; M169-K172 PolarHBondContact O-N 3.25Å; L170-K172 PolarHBondContact O-N 3.3Å; L170-K172 VanDerWaalsContact O-N 3.13Å; K172-D174 VanDerWaalsContact C-N 3.3Å; K172-D174 PolarHBondContact O-N 2.8Å; K172-Y362 VanDerWaalsContact CD-OH 3.27Å; K172-Y362 WeakPolarHBondContact CD-OH 3.44Å; K172-Y362 PolarHBondContact NZ-OH 3Å; K172-N374 PolarHBondContact NZ-OD1 3.14Å |
| 173 | F | 81.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 24% | 0.237 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 20.6 | 178.7 | -83.1 | -78.6 | 0 | 0 | 0 | 113 | M169 L170 D175 K176 I177 I181 Y362 | M169-F173 HydrophobicContact CG-CD2 4.04Å; M169-F173 HydrophobicContact CG-CE2 3.84Å; M169-F173 WeakPolarHBondContact O-CD2 3.29Å; M169-F173 PolarHBondContact O-N 2.8Å; M169-F173 HydrophobicContact SD-CD2 4.31Å; M169-F173 HydrophobicContact SD-CE2 3.91Å; L170-F173 PolarHBondContact O-N 2.93Å; F173-D175 PolarHBondContact O-N 2.84Å; F173-K176 PolarHBondContact O-N 2.87Å; F173-I177 HydrophobicContact CB-CG1 3.94Å; F173-I177 HydrophobicContact CD2-CD1 4.17Å; F173-I177 HydrophobicContact CD2-CG1 3.82Å; F173-I177 HydrophobicContact CG-CG1 3.93Å; F173-I181 HydrophobicContact CE1-CD1 4.02Å; F173-I181 HydrophobicContact CZ-CD1 3.97Å; F173-Y362 AromaticContact CE2-CD2 3.76Å; F173-Y362 HydrophobicContact CE2-CD2 3.76Å; F173-Y362 HydrophobicContact CE2-CE2 4.24Å; F173-Y362 HydrophobicContact CE2-CG 4.1Å; F173-Y362 AromaticContact CZ-CD2 3.71Å; F173-Y362 HydrophobicContact CZ-CD2 3.71Å; F173-Y362 HydrophobicContact CZ-CE2 4.44Å; F173-Y362 HydrophobicContact CZ-CG 4.23Å |
| 174 | D | 70.4 | Confident | 85.9 | Confident | 146 Ų | 146 | 43.3 Ų | 43.3 | 78% | 0.781 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 49 | -168 | -76.5 | -37.6 | 0 | 0 | 0 | 111.2 | K172 K176 | K172-D174 VanDerWaalsContact C-N 3.3Å; K172-D174 PolarHBondContact O-N 2.8Å; D174-K176 PolarHBondContact O-N 2.83Å; D174-K176 VanDerWaalsContact O-N 3.1Å |
| 175 | D | 68.3 | Low | 86.1 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 0.9 | 176.8 | -43.8 | -41.7 | 0 | 0 | 0 | 115.5 | L170 F173 G282 | L170-D175 PolarHBondContact O-N 3.21Å; F173-D175 PolarHBondContact O-N 2.84Å; D175-G282 WeakPolarHBondContact O-CA 3.42Å |
| 176 | K | 77.1 | Confident | 86.4 | Confident | 94 Ų | 94 | 42.3 Ų | 42.3 | 41% | 0.409 | 22% | 0.218 | S | C | . | . | trans | -134.1 | 110.3 | 179.6 | -56.8 | -164.6 | -168.8 | -142.6 | 0 | 113.9 | F173 D174 F281 | F173-K176 PolarHBondContact O-N 2.87Å; D174-K176 PolarHBondContact O-N 2.83Å; D174-K176 VanDerWaalsContact O-N 3.1Å; K176-F281 WeakPolarHBondContact CE-O 3.48Å; K176-F281 PolarHBondContact NZ-O 2.82Å | ||
| 177 | I | 85.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -83.6 | 131.6 | -179.3 | -61.3 | -175.2 | 0 | 0 | 0 | 109.8 | M169 L170 F173 I181 V182 M279 | M169-I177 HydrophobicContact SD-CD1 3.86Å; L170-I177 HydrophobicContact CD2-CD1 3.66Å; L170-I177 HydrophobicContact CD2-CG1 4.06Å; L170-I177 HydrophobicContact CG-CD1 4.24Å; F173-I177 HydrophobicContact CB-CG1 3.94Å; F173-I177 HydrophobicContact CD2-CD1 4.17Å; F173-I177 HydrophobicContact CD2-CG1 3.82Å; F173-I177 HydrophobicContact CG-CG1 3.93Å; I177-I181 HydrophobicContact CG2-CB 3.58Å; I177-I181 HydrophobicContact CG2-CG2 3.5Å; I177-V182 HydrophobicContact CB-CG2 3.8Å; I177-V182 HydrophobicContact CG2-CG2 3.61Å; I177-M279 HydrophobicContact CD1-CG 4.3Å; I177-M279 PolarHBondContact N-O 3.23Å | ||
| 178 | P | 88.5 | Confident | 87.1 | Confident | 60 Ų | 60 | 39.2 Ų | 39.2 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | trans | -56.5 | 138.9 | 174.4 | -25.8 | 34.1 | 0 | 0 | 0 | 112.7 | N180 I181 V182 | P178-N180 VanDerWaalsContact C-N 3.25Å; P178-N180 PolarHBondContact O-N 3.01Å; P178-N180 VanDerWaalsContact O-N 3.07Å; P178-I181 HydrophobicContact CB-CD1 4.43Å; P178-I181 HydrophobicContact CB-CG1 4.29Å; P178-I181 HydrophobicContact CG-CD1 4.2Å; P178-I181 WeakPolarHBondContact O-CA 3.25Å; P178-I181 WeakPolarHBondContact O-CB 3.45Å; P178-I181 PolarHBondContact O-N 3.21Å; P178-V182 PolarHBondContact O-N 2.95Å; P178-V182 VanDerWaalsContact O-N 3.12Å | ||
| 179 | E | 90.8 | Very high | 87.6 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 23% | 0.229 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.3 | -33.6 | -169.8 | -169.4 | 179.5 | 143.4 | 0 | 0 | 114.3 | I181 V182 Q183 L280 I314 S315 A318 F346 | E179-I181 VanDerWaalsContact C-N 3.28Å; E179-I181 PolarHBondContact O-N 3.12Å; E179-V182 WeakPolarHBondContact O-CB 3.42Å; E179-V182 PolarHBondContact O-N 2.91Å; E179-Q183 WeakPolarHBondContact O-CB 3.46Å; E179-Q183 PolarHBondContact O-N 2.85Å; E179-L280 HydrophobicContact CB-CD2 4.09Å; E179-L280 HydrophobicContact CG-CD2 4.1Å; E179-I314 WeakPolarHBondContact OE2-CA 3.36Å; E179-S315 WeakPolarHBondContact OE1-CB 3.41Å; E179-S315 PolarHBondContact OE1-OG 3.38Å; E179-S315 PolarHBondContact OE2-N 3.13Å; E179-A318 HydrophobicContact CG-CB 4.37Å; E179-F346 HydrophobicContact CG-CE2 3.85Å |
| 180 | N | 89.7 | Confident | 88.2 | Confident | 102 Ų | 102 | 38.5 Ų | 38.5 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.6 | -22.9 | 175.9 | 70.6 | -81.6 | 0 | 0 | 0 | 113.7 | P178 | P178-N180 VanDerWaalsContact C-N 3.25Å; P178-N180 PolarHBondContact O-N 3.01Å; P178-N180 VanDerWaalsContact O-N 3.07Å |
| 181 | I | 92.3 | Very high | 88.8 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -83.2 | -38 | 174.3 | -56.3 | -169 | 0 | 0 | 0 | 109.1 | F173 I177 P178 E179 F184 Y185 P361 | F173-I181 HydrophobicContact CE1-CD1 4.02Å; F173-I181 HydrophobicContact CZ-CD1 3.97Å; I177-I181 HydrophobicContact CG2-CB 3.58Å; I177-I181 HydrophobicContact CG2-CG2 3.5Å; P178-I181 HydrophobicContact CB-CD1 4.43Å; P178-I181 HydrophobicContact CB-CG1 4.29Å; P178-I181 HydrophobicContact CG-CD1 4.2Å; P178-I181 WeakPolarHBondContact O-CA 3.25Å; P178-I181 WeakPolarHBondContact O-CB 3.45Å; P178-I181 PolarHBondContact O-N 3.21Å; E179-I181 VanDerWaalsContact C-N 3.28Å; E179-I181 PolarHBondContact O-N 3.12Å; I181-F184 PolarHBondContact O-N 2.71Å; I181-Y185 HydrophobicContact CG2-CD2 3.82Å; I181-Y185 HydrophobicContact CG2-CE2 3.75Å; I181-Y185 WeakPolarHBondContact O-CD2 3.22Å; I181-Y185 PolarHBondContact O-N 3.36Å; I181-Y185 VanDerWaalsContact O-N 3.15Å; I181-P361 HydrophobicContact CB-CG 4.38Å; I181-P361 HydrophobicContact CG1-CB 4.07Å; I181-P361 HydrophobicContact CG1-CG 4.36Å; I181-P361 HydrophobicContact CG2-CG 4.07Å |
| 182 | V | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | I177 P178 E179 F184 Y185 V186 M276 M279 L280 F346 | I177-V182 HydrophobicContact CB-CG2 3.8Å; I177-V182 HydrophobicContact CG2-CG2 3.61Å; P178-V182 PolarHBondContact O-N 2.95Å; P178-V182 VanDerWaalsContact O-N 3.12Å; E179-V182 WeakPolarHBondContact O-CB 3.42Å; E179-V182 PolarHBondContact O-N 2.91Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 2.92Å; V182-Y185 PolarHBondContact O-N 3.5Å; V182-V186 HydrophobicContact CG1-CG2 3.68Å; V182-V186 VanDerWaalsContact O-CB 3.31Å; V182-V186 WeakPolarHBondContact O-CB 3.36Å; V182-V186 VanDerWaalsContact O-CG2 3.27Å; V182-V186 WeakPolarHBondContact O-CG2 3.46Å; V182-V186 PolarHBondContact O-N 3.06Å; V182-M276 HydrophobicContact CG1-CG 4.2Å; V182-M279 HydrophobicContact CG1-CB 4.18Å; V182-M279 HydrophobicContact CG1-SD 3.88Å; V182-M279 HydrophobicContact CG2-CB 3.79Å; V182-M279 HydrophobicContact CG2-SD 4.4Å; V182-L280 HydrophobicContact CB-CD2 4.13Å; V182-L280 HydrophobicContact CB-CG 4.49Å; V182-L280 HydrophobicContact CG1-CD1 4.29Å; V182-L280 HydrophobicContact CG1-CD2 4.25Å; V182-L280 HydrophobicContact CG1-CG 4.1Å; V182-L280 HydrophobicContact CG2-CD2 3.72Å; V182-L280 HydrophobicContact CG2-CG 4.11Å; V182-F346 HydrophobicContact CG1-CZ 4.33Å |
| 183 | Q | 95.1 | Very high | 90.2 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 22% | 0.22 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.9 | -45.4 | 178.6 | -164.2 | -165.3 | 29.4 | 0 | 0 | 112.1 | E179 S187 F346 N348 I350 | E179-Q183 WeakPolarHBondContact O-CB 3.46Å; E179-Q183 PolarHBondContact O-N 2.85Å; Q183-S187 WeakPolarHBondContact O-CB 3.31Å; Q183-S187 PolarHBondContact O-N 2.86Å; Q183-S187 PolarHBondContact O-OG 2.66Å; Q183-F346 HydrophobicContact CB-CE1 4.24Å; Q183-F346 HydrophobicContact CB-CZ 3.93Å; Q183-F346 HydrophobicContact CG-CE1 4.17Å; Q183-F346 HydrophobicContact CG-CZ 4.19Å; Q183-F346 PolarHBondContact NE2-O 3.23Å; Q183-N348 PolarHBondContact NE2-O 3.17Å; Q183-I350 HydrophobicContact CG-CD1 4.07Å; Q183-I350 HydrophobicContact CG-CG1 4.25Å |
| 184 | F | 95.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -55.8 | 176.2 | -177.9 | -88.8 | 0 | 0 | 0 | 111.6 | I181 V182 V186 S187 E188 I355 Q358 P360 P361 | I181-F184 PolarHBondContact O-N 2.71Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 2.92Å; F184-V186 PolarHBondContact O-N 3.2Å; F184-S187 WeakPolarHBondContact O-CB 3.44Å; F184-S187 PolarHBondContact O-N 3.24Å; F184-S187 VanDerWaalsContact O-N 3.1Å; F184-E188 HydrophobicContact CD1-CG 4.29Å; F184-E188 VanDerWaalsContact CE1-CD 3.41Å; F184-E188 HydrophobicContact CE1-CG 3.85Å; F184-E188 HydrophobicContact CZ-CG 4.17Å; F184-E188 PolarHBondContact O-N 2.81Å; F184-I355 HydrophobicContact CD2-CD1 4.13Å; F184-I355 HydrophobicContact CD2-CG1 4.15Å; F184-I355 HydrophobicContact CE2-CD1 4.12Å; F184-I355 HydrophobicContact CE2-CG1 3.67Å; F184-I355 HydrophobicContact CZ-CG1 4.23Å; F184-Q358 HydrophobicContact CE2-CB 4.48Å; F184-P360 HydrophobicContact CE1-CB 3.93Å; F184-P360 HydrophobicContact CE1-CG 4.27Å; F184-P360 HydrophobicContact CZ-CB 4.06Å; F184-P360 HydrophobicContact CZ-CG 4.06Å; F184-P361 HydrophobicContact CB-CG 3.86Å; F184-P361 VanDerWaalsContact CD1-CD 3.44Å; F184-P361 HydrophobicContact CD1-CG 4.01Å; F184-P361 VanDerWaalsContact CG-CD 3.5Å; F184-P361 HydrophobicContact CG-CG 3.89Å |
| 185 | Y | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.3 | -33.6 | -174.1 | -75 | -55.1 | 0 | 0 | 0 | 114 | M166 M169 I181 V182 S187 E188 M189 L213 G217 I219 Y362 | M166-Y185 HydrophobicContact CE-CD1 4.18Å; M166-Y185 HydrophobicContact CE-CG 4.09Å; M169-Y185 HydrophobicContact CE-CD2 3.99Å; M169-Y185 HydrophobicContact CE-CE1 4.17Å; M169-Y185 HydrophobicContact CE-CE2 3.44Å; M169-Y185 VanDerWaalsContact CE-CE2 3.44Å; M169-Y185 HydrophobicContact SD-CD2 4.32Å; M169-Y185 HydrophobicContact SD-CE2 3.9Å; I181-Y185 HydrophobicContact CG2-CD2 3.82Å; I181-Y185 HydrophobicContact CG2-CE2 3.75Å; I181-Y185 WeakPolarHBondContact O-CD2 3.22Å; I181-Y185 PolarHBondContact O-N 3.36Å; I181-Y185 VanDerWaalsContact O-N 3.15Å; V182-Y185 PolarHBondContact O-N 3.5Å; Y185-S187 VanDerWaalsContact C-N 3.31Å; Y185-E188 PolarHBondContact O-N 3.42Å; Y185-M189 WeakPolarHBondContact O-CB 3.26Å; Y185-M189 VanDerWaalsContact O-CG 3.28Å; Y185-M189 WeakPolarHBondContact O-CG 3.15Å; Y185-M189 PolarHBondContact O-N 3.47Å; Y185-L213 HydrophobicContact CE1-CD2 4.48Å; Y185-G217 VanDerWaalsContact CE1-O 3.32Å; Y185-G217 WeakPolarHBondContact CE1-O 3.38Å; Y185-G217 PolarHBondContact OH-O 3.25Å; Y185-G217 VanDerWaalsContact OH-O 3.04Å; Y185-I219 HydrophobicContact CD1-CG2 3.55Å; Y185-I219 HydrophobicContact CE1-CG2 3.74Å; Y185-Y362 PolarHBondContact OH-O 2.91Å |
| 186 | V | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 172 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | V182 F184 M189 V190 L272 M276 M279 F347 | V182-V186 HydrophobicContact CG1-CG2 3.68Å; V182-V186 VanDerWaalsContact O-CB 3.31Å; V182-V186 WeakPolarHBondContact O-CB 3.36Å; V182-V186 VanDerWaalsContact O-CG2 3.27Å; V182-V186 WeakPolarHBondContact O-CG2 3.46Å; V182-V186 PolarHBondContact O-N 3.06Å; F184-V186 PolarHBondContact O-N 3.2Å; V186-M189 PolarHBondContact O-N 2.85Å; V186-V190 WeakPolarHBondContact O-CB 3.27Å; V186-V190 VanDerWaalsContact O-CG2 3.26Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 3.16Å; V186-L272 HydrophobicContact CG1-CD1 4.32Å; V186-M276 HydrophobicContact CG1-SD 4.35Å; V186-M276 HydrophobicContact CG2-CB 4.15Å; V186-M276 HydrophobicContact CG2-CG 4.09Å; V186-M276 HydrophobicContact CG2-SD 4.48Å; V186-M279 HydrophobicContact CG2-SD 4.05Å; V186-F347 HydrophobicContact CB-CE1 4.37Å; V186-F347 HydrophobicContact CG1-CE1 3.92Å; V186-F347 HydrophobicContact CG1-CZ 3.82Å |
| 187 | S | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | Q183 F184 Y185 V190 L191 F347 W352 | Q183-S187 WeakPolarHBondContact O-CB 3.31Å; Q183-S187 PolarHBondContact O-N 2.86Å; Q183-S187 PolarHBondContact O-OG 2.66Å; F184-S187 WeakPolarHBondContact O-CB 3.44Å; F184-S187 PolarHBondContact O-N 3.24Å; F184-S187 VanDerWaalsContact O-N 3.1Å; Y185-S187 VanDerWaalsContact C-N 3.31Å; S187-V190 PolarHBondContact O-N 2.7Å; S187-L191 PolarHBondContact O-N 3.42Å; S187-L191 VanDerWaalsContact O-N 3.16Å; S187-F347 WeakPolarHBondContact OG-CD1 3.48Å; S187-F347 WeakPolarHBondContact OG-CE1 3.43Å; S187-W352 WeakPolarHBondContact O-CZ3 3.38Å |
| 188 | E | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.4 | -65.3 | -155.4 | 133.1 | 0 | 0 | 111.9 | W140 F184 Y185 V190 L191 A192 H218 I219 I355 | W140-E188 HydrophobicContact CE3-CB 4.48Å; W140-E188 HydrophobicContact CH2-CB 4.2Å; W140-E188 HydrophobicContact CH2-CG 3.9Å; W140-E188 HydrophobicContact CZ3-CB 3.73Å; W140-E188 HydrophobicContact CZ3-CG 3.75Å; W140-E188 WeakPolarHBondContact CZ3-OE1 3.41Å; F184-E188 HydrophobicContact CD1-CG 4.29Å; F184-E188 VanDerWaalsContact CE1-CD 3.41Å; F184-E188 HydrophobicContact CE1-CG 3.85Å; F184-E188 HydrophobicContact CZ-CG 4.17Å; F184-E188 PolarHBondContact O-N 2.81Å; Y185-E188 PolarHBondContact O-N 3.42Å; E188-V190 VanDerWaalsContact C-N 3.33Å; E188-V190 PolarHBondContact O-N 2.87Å; E188-L191 PolarHBondContact O-N 2.9Å; E188-A192 WeakPolarHBondContact O-CB 3.33Å; E188-A192 PolarHBondContact O-N 3.48Å; E188-H218 IonicContact OE1-CE1 2.63Å; E188-H218 IonicContact OE1-CG 3.68Å; E188-H218 IonicContact OE1-ND1 2.76Å; E188-H218 PolarHBondContact OE1-ND1 3.33Å; E188-I219 HydrophobicContact CB-CD1 4.08Å; E188-I219 HydrophobicContact CB-CG1 3.49Å; E188-I219 VanDerWaalsContact CB-CG1 3.49Å; E188-I219 HydrophobicContact CG-CG1 4.43Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.45Å; E188-I219 PolarHBondContact OE2-N 2.7Å; E188-I355 HydrophobicContact CG-CD1 3.99Å; E188-I355 HydrophobicContact CG-CG1 4.4Å |
| 189 | M | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.5 | -75.4 | -179 | 69.2 | 0 | 0 | 112.6 | M166 Y185 V186 A192 I193 I206 V211 I219 L272 V275 M279 | M166-M189 HydrophobicContact CE-SD 4.24Å; M166-M189 HydrophobicContact SD-SD 3.98Å; Y185-M189 WeakPolarHBondContact O-CB 3.26Å; Y185-M189 VanDerWaalsContact O-CG 3.28Å; Y185-M189 WeakPolarHBondContact O-CG 3.15Å; Y185-M189 PolarHBondContact O-N 3.47Å; V186-M189 PolarHBondContact O-N 2.85Å; M189-A192 PolarHBondContact O-N 2.66Å; M189-I193 WeakPolarHBondContact O-CB 3.48Å; M189-I193 VanDerWaalsContact O-CG1 3.25Å; M189-I193 WeakPolarHBondContact O-CG1 3.05Å; M189-I193 PolarHBondContact O-N 3.44Å; M189-I206 HydrophobicContact CE-CG2 3.85Å; M189-V211 HydrophobicContact CE-CG2 3.89Å; M189-V211 HydrophobicContact CG-CG1 4.49Å; M189-V211 HydrophobicContact SD-CG2 4.3Å; M189-I219 HydrophobicContact CG-CD1 4.14Å; M189-L272 HydrophobicContact CB-CD1 3.74Å; M189-L272 HydrophobicContact CE-CD1 3.72Å; M189-L272 HydrophobicContact SD-CD1 4.17Å; M189-V275 HydrophobicContact CE-CB 4.37Å; M189-V275 HydrophobicContact CE-CG1 4.03Å; M189-V275 HydrophobicContact SD-CG1 4.16Å; M189-M279 HydrophobicContact SD-CE 4.16Å |
| 190 | V | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 174 | 164.6 | 0 | 0 | 0 | 0 | 111 | V186 S187 E188 D194 L272 I338 L341 F347 W352 | V186-V190 WeakPolarHBondContact O-CB 3.27Å; V186-V190 VanDerWaalsContact O-CG2 3.26Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 3.16Å; S187-V190 PolarHBondContact O-N 2.7Å; E188-V190 VanDerWaalsContact C-N 3.33Å; E188-V190 PolarHBondContact O-N 2.87Å; V190-D194 WeakPolarHBondContact O-CB 3.46Å; V190-D194 PolarHBondContact O-N 2.99Å; V190-L272 HydrophobicContact CG2-CD2 3.55Å; V190-I338 HydrophobicContact CG1-CD1 3.58Å; V190-I338 HydrophobicContact CG1-CG1 3.67Å; V190-L341 HydrophobicContact CG1-CB 4.37Å; V190-L341 HydrophobicContact CG1-CD1 4.1Å; V190-L341 HydrophobicContact CG2-CD1 4.16Å; V190-F347 HydrophobicContact CG2-CZ 4.5Å; V190-W352 HydrophobicContact CB-CH2 4.33Å; V190-W352 HydrophobicContact CB-CZ3 4.16Å; V190-W352 HydrophobicContact CG1-CH2 4.11Å; V190-W352 HydrophobicContact CG1-CZ3 3.94Å |
| 191 | L | 95.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 17.8 Ų | 17.8 | 9% | 0.094 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.4 | -33.3 | 175.3 | -66.9 | 174.7 | 0 | 0 | 0 | 113 | W140 S187 E188 S195 I338 W352 I355 | W140-L191 HydrophobicContact CD2-CB 4.34Å; W140-L191 HydrophobicContact CH2-CD1 4.29Å; W140-L191 HydrophobicContact CZ2-CB 4.12Å; W140-L191 HydrophobicContact CZ2-CD1 3.64Å; S187-L191 PolarHBondContact O-N 3.42Å; S187-L191 VanDerWaalsContact O-N 3.16Å; E188-L191 PolarHBondContact O-N 2.9Å; L191-S195 VanDerWaalsContact O-CB 3.25Å; L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 3.46Å; L191-S195 PolarHBondContact O-OG 2.87Å; L191-I338 HydrophobicContact CD2-CD1 4.02Å; L191-W352 HydrophobicContact CD1-CE3 4.22Å; L191-W352 HydrophobicContact CD2-CE3 4.07Å; L191-W352 HydrophobicContact CG-CE3 4.02Å; L191-W352 HydrophobicContact CG-CZ3 4.22Å; L191-I355 HydrophobicContact CD1-CG2 3.59Å |
| 192 | A | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71.9 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | W140 E188 M189 S195 L196 I219 L221 | W140-A192 HydrophobicContact CB-CB 3.81Å; W140-A192 HydrophobicContact CG-CB 4.46Å; E188-A192 WeakPolarHBondContact O-CB 3.33Å; E188-A192 PolarHBondContact O-N 3.48Å; M189-A192 PolarHBondContact O-N 2.66Å; A192-S195 PolarHBondContact O-N 2.69Å; A192-L196 PolarHBondContact O-N 3.32Å; A192-I219 HydrophobicContact CB-CD1 3.9Å; A192-L221 HydrophobicContact CB-CB 4.33Å |
| 193 | I | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 174.7 | -70.3 | 166.8 | 0 | 0 | 0 | 109.9 | M189 S195 L196 H197 I206 D268 Y269 L272 | M189-I193 WeakPolarHBondContact O-CB 3.48Å; M189-I193 VanDerWaalsContact O-CG1 3.25Å; M189-I193 WeakPolarHBondContact O-CG1 3.05Å; M189-I193 PolarHBondContact O-N 3.44Å; I193-S195 VanDerWaalsContact C-N 3.33Å; I193-S195 PolarHBondContact O-N 3.16Å; I193-L196 WeakPolarHBondContact O-CB 3.44Å; I193-L196 PolarHBondContact O-N 2.81Å; I193-L196 VanDerWaalsContact O-N 3.08Å; I193-H197 WeakPolarHBondContact CG2-CE1 3.38Å; I193-H197 PolarHBondContact O-CD2 2.93Å; I193-H197 PolarHBondContact O-N 2.75Å; I193-I206 HydrophobicContact CD1-CD1 4.33Å; I193-I206 HydrophobicContact CD1-CG1 4.33Å; I193-I206 HydrophobicContact CD1-CG2 4.34Å; I193-I206 HydrophobicContact CG1-CD1 3.95Å; I193-I206 HydrophobicContact CG1-CG1 4.41Å; I193-D268 HydrophobicContact CG2-CB 3.92Å; I193-Y269 HydrophobicContact CB-CE1 4.45Å; I193-Y269 HydrophobicContact CG2-CD1 4.39Å; I193-Y269 HydrophobicContact CG2-CE1 3.78Å; I193-Y269 HydrophobicContact CG2-CE2 4.38Å; I193-L272 HydrophobicContact CD1-CB 4.08Å; I193-L272 HydrophobicContact CD1-CD1 4.19Å; I193-L272 HydrophobicContact CD1-CD2 4.36Å; I193-L272 HydrophobicContact CD1-CG 4.44Å |
| 194 | D | 94.3 | Very high | 93.9 | Very high | 26 Ų | 26 | 14.9 Ų | 14.9 | 14% | 0.139 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.3 | -175.5 | 60.1 | 0 | 0 | 0 | 112.1 | V190 L196 H197 Q198 I338 | V190-D194 WeakPolarHBondContact O-CB 3.46Å; V190-D194 PolarHBondContact O-N 2.99Å; D194-L196 PolarHBondContact O-N 3.38Å; D194-H197 PolarHBondContact O-N 2.72Å; D194-Q198 WeakPolarHBondContact O-CB 3.49Å; D194-Q198 WeakPolarHBondContact O-CG 3.3Å; D194-Q198 PolarHBondContact O-N 2.98Å; D194-Q198 PolarHBondContact OD2-NE2 3.24Å; D194-I338 HydrophobicContact CB-CD1 3.66Å; D194-I338 HydrophobicContact CB-CG1 4.48Å |
| 195 | S | 92.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 14% | 0.14 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.2 | -34.4 | 172.9 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | W140 L191 A192 I193 L199 | W140-S195 VanDerWaalsContact CD1-OG 3.26Å; L191-S195 VanDerWaalsContact O-CB 3.25Å; L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 3.46Å; L191-S195 PolarHBondContact O-OG 2.87Å; A192-S195 PolarHBondContact O-N 2.69Å; I193-S195 VanDerWaalsContact C-N 3.33Å; I193-S195 PolarHBondContact O-N 3.16Å; S195-L199 WeakPolarHBondContact O-CG 3.33Å |
| 196 | L | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -75.6 | -40 | 174 | -179.3 | 67.7 | 0 | 0 | 0 | 111.8 | V129 L141 A192 I193 D194 L199 G200 Y201 H203 L221 F224 | V129-L196 HydrophobicContact CB-CD1 4.48Å; V129-L196 HydrophobicContact CG1-CD1 3.49Å; V129-L196 VanDerWaalsContact CG1-CD1 3.49Å; V129-L196 HydrophobicContact CG2-CD1 4.07Å; L141-L196 HydrophobicContact CD2-CB 4.29Å; A192-L196 PolarHBondContact O-N 3.32Å; I193-L196 WeakPolarHBondContact O-CB 3.44Å; I193-L196 PolarHBondContact O-N 2.81Å; I193-L196 VanDerWaalsContact O-N 3.08Å; D194-L196 PolarHBondContact O-N 3.38Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-L199 VanDerWaalsContact O-N 3.15Å; L196-G200 PolarHBondContact O-N 2.91Å; L196-Y201 PolarHBondContact O-N 2.85Å; L196-H203 HydrophobicContact CD2-CB 3.7Å; L196-L221 HydrophobicContact CD2-CD2 4.24Å; L196-F224 HydrophobicContact CD1-CD1 4.34Å; L196-F224 HydrophobicContact CD1-CE1 4.4Å |
| 197 | H | 93.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 15.8 Ų | 15.8 | 8% | 0.083 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.9 | -65.2 | 180 | 0 | 0 | 0 | 111.3 | I193 D194 L199 G200 Y201 V265 D268 Y269 | I193-H197 WeakPolarHBondContact CG2-CE1 3.38Å; I193-H197 PolarHBondContact O-CD2 2.93Å; I193-H197 PolarHBondContact O-N 2.75Å; D194-H197 PolarHBondContact O-N 2.72Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 3.49Å; H197-G200 WeakPolarHBondContact O-CA 3.4Å; H197-G200 PolarHBondContact O-N 3.43Å; H197-Y201 WeakPolarHBondContact CA-O 3.47Å; H197-Y201 PolarHBondContact CD2-O 2.78Å; H197-Y201 VanDerWaalsContact CD2-O 3.25Å; H197-V265 HydrophobicContact CB-CG1 4.08Å; H197-V265 PolarHBondContact CE1-O 3.28Å; H197-V265 WeakPolarHBondContact ND1-CB 3.12Å; H197-D268 IonicContact CD2-OD2 3.33Å; H197-D268 IonicContact CE1-OD2 3.42Å; H197-D268 IonicContact NE2-OD2 2.82Å; H197-D268 PolarHBondContact NE2-OD2 2.72Å; H197-Y269 AromaticContact CE1-CE2 3.51Å; H197-Y269 AromaticContact CE1-CZ 3.87Å; H197-Y269 AromaticContact ND1-CE2 3.67Å; H197-Y269 AromaticContact ND1-CZ 3.88Å; H197-Y269 PolarHBondContact ND1-OH 3.27Å |
| 198 | Q | 91.4 | Very high | 93 | Very high | 145 Ų | 145 | 15.8 Ų | 15.8 | 68% | 0.678 | 8% | 0.084 | S | C | * | . | H | α-helix | trans | -61.1 | -30.4 | 173.1 | -70.7 | -177.1 | 30.7 | 0 | 0 | 113.5 | D194 G200 | D194-Q198 WeakPolarHBondContact O-CB 3.49Å; D194-Q198 WeakPolarHBondContact O-CG 3.3Å; D194-Q198 PolarHBondContact O-N 2.98Å; D194-Q198 PolarHBondContact OD2-NE2 3.24Å; Q198-G200 PolarHBondContact O-N 2.98Å |
| 199 | L | 89.4 | Confident | 92.6 | Very high | 33 Ų | 33 | 19 Ų | 19 | 17% | 0.173 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.2 | 172.3 | -66.2 | -177.6 | 0 | 0 | 0 | 113.5 | K132 A133 L141 S195 L196 H197 Y201 | K132-L199 HydrophobicContact CB-CD1 4.04Å; K132-L199 HydrophobicContact CB-CD2 4.04Å; A133-L199 HydrophobicContact CB-CD1 4Å; L141-L199 HydrophobicContact CD1-CD1 3.71Å; S195-L199 WeakPolarHBondContact O-CG 3.33Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-L199 VanDerWaalsContact O-N 3.15Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 3.49Å; L199-Y201 HydrophobicContact CB-CD2 4.15Å; L199-Y201 VanDerWaalsContact O-CD2 3.31Å; L199-Y201 WeakPolarHBondContact O-CD2 3.38Å; L199-Y201 VanDerWaalsContact O-CE2 3.27Å; L199-Y201 WeakPolarHBondContact O-CE2 3.36Å |
| 200 | G | 89.9 | Confident | 92.3 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 22% | 0.216 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 31.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L196 H197 Q198 K229 L230 | L196-G200 PolarHBondContact O-N 2.91Å; H197-G200 WeakPolarHBondContact O-CA 3.4Å; H197-G200 PolarHBondContact O-N 3.43Å; Q198-G200 PolarHBondContact O-N 2.98Å; G200-K229 CarbonylContact O-C 3.49Å; G200-K229 WeakPolarHBondContact O-CA 3.25Å; G200-K229 WeakPolarHBondContact O-CG 3.44Å; G200-L230 PolarHBondContact O-N 2.99Å |
| 201 | Y | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.3 | 179.4 | -60.4 | -102 | 0 | 0 | 0 | 112.1 | E125 D128 V129 K132 L196 H197 L199 L228 K229 | E125-Y201 HydrophobicContact CB-CE1 4.37Å; E125-Y201 HydrophobicContact CG-CE1 4.42Å; D128-Y201 WeakPolarHBondContact CB-OH 3.39Å; V129-Y201 HydrophobicContact CG2-CD1 3.59Å; V129-Y201 HydrophobicContact CG2-CD2 3.69Å; V129-Y201 HydrophobicContact CG2-CE1 3.82Å; V129-Y201 HydrophobicContact CG2-CE2 3.92Å; V129-Y201 HydrophobicContact CG2-CG 3.55Å; K132-Y201 HydrophobicContact CD-CE2 3.84Å; K132-Y201 VanDerWaalsContact NZ-CE2 3.3Å; K132-Y201 PolarHBondContact NZ-OH 2.83Å; L196-Y201 PolarHBondContact O-N 2.85Å; H197-Y201 WeakPolarHBondContact CA-O 3.47Å; H197-Y201 PolarHBondContact CD2-O 2.78Å; H197-Y201 VanDerWaalsContact CD2-O 3.25Å; L199-Y201 HydrophobicContact CB-CD2 4.15Å; L199-Y201 VanDerWaalsContact O-CD2 3.31Å; L199-Y201 WeakPolarHBondContact O-CD2 3.38Å; L199-Y201 VanDerWaalsContact O-CE2 3.27Å; L199-Y201 WeakPolarHBondContact O-CE2 3.36Å; Y201-L228 CarbonylContact C-O 3.55Å; Y201-L228 VanDerWaalsContact CA-O 3.27Å; Y201-L228 WeakPolarHBondContact CA-O 3.19Å; Y201-K229 HydrophobicContact CD1-CB 3.97Å; Y201-K229 HydrophobicContact CE1-CB 3.79Å; Y201-K229 HydrophobicContact CE1-CG 4.19Å |
| 202 | V | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151 | 166.1 | -67.4 | 0 | 0 | 0 | 0 | 110.1 | R204 C227 L228 L230 V236 V265 D268 | V202-R204 HydrophobicContact CB-CG 4.49Å; V202-R204 HydrophobicContact CG2-CG 3.91Å; V202-C227 VanDerWaalsContact O-CA 3.22Å; V202-C227 WeakPolarHBondContact O-CA 3.4Å; V202-L228 HydrophobicContact CG2-CB 4.49Å; V202-L228 PolarHBondContact N-O 3.47Å; V202-L228 PolarHBondContact O-N 2.73Å; V202-L228 VanDerWaalsContact O-N 3.17Å; V202-L230 HydrophobicContact CG1-CD1 4.46Å; V202-L230 HydrophobicContact CG1-CD2 3.81Å; V202-L230 HydrophobicContact CG1-CG 4.19Å; V202-V236 HydrophobicContact CG2-CG2 3.77Å; V202-V265 HydrophobicContact CG1-CG1 4.08Å; V202-D268 WeakPolarHBondContact CA-OD2 3.02Å; V202-D268 WeakPolarHBondContact CB-OD2 3.31Å |
| 203 | H | 91.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -84.1 | -48.2 | -174 | -153.5 | -103.5 | 0 | 0 | 0 | 113.1 | L196 D205 I206 A222 F224 S226 C227 D268 | L196-H203 HydrophobicContact CD2-CB 3.7Å; H203-D205 PolarHBondContact CE1-O 3.46Å; H203-D205 VanDerWaalsContact ND1-C 3.34Å; H203-D205 PolarHBondContact ND1-O 2.89Å; H203-D205 PolarHBondContact O-N 3.01Å; H203-D205 VanDerWaalsContact O-N 3.14Å; H203-I206 HydrophobicContact CB-CD1 3.52Å; H203-I206 HydrophobicContact CB-CG1 3.95Å; H203-A222 PolarHBondContact CE1-O 2.92Å; H203-A222 VanDerWaalsContact CE1-O 3.25Å; H203-A222 PolarHBondContact NE2-O 3.29Å; H203-F224 AromaticContact CD2-CD1 3.69Å; H203-F224 AromaticContact NE2-CD1 3.52Å; H203-F224 AromaticContact NE2-CE1 4Å; H203-S226 CarbonylContact O-C 3.36Å; H203-S226 VanDerWaalsContact O-CB 3.25Å; H203-S226 WeakPolarHBondContact O-CB 2.96Å; H203-C227 VanDerWaalsContact CD2-SG 3.56Å; H203-D268 WeakPolarHBondContact CB-OD1 3.4Å; H203-D268 PolarHBondContact N-OD1 3.22Å; H203-D268 PolarHBondContact N-OD2 2.78Å | ||
| 204 | R | 89.8 | Confident | 91.9 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 66.5 | -5.3 | -177.8 | -45 | -175 | -56.9 | 134.2 | 6.1 | 116.2 | V202 S226 T240 I252 Y263 D268 | V202-R204 HydrophobicContact CB-CG 4.49Å; V202-R204 HydrophobicContact CG2-CG 3.91Å; R204-S226 VanDerWaalsContact CZ-O 3.25Å; R204-S226 PolarHBondContact NE-O 3.35Å; R204-S226 PolarHBondContact NH2-O 2.82Å; R204-T240 PolarHBondContact NH1-O 2.88Å; R204-I252 HydrophobicContact CB-CD1 4.01Å; R204-I252 HydrophobicContact CG-CD1 4.36Å; R204-Y263 VanDerWaalsContact CD-CE2 3.5Å; R204-Y263 WeakPolarHBondContact CD-OH 3.45Å; R204-Y263 HydrophobicContact CG-CE2 4.24Å; R204-Y263 PolarHBondContact NH1-OH 2.73Å; R204-D268 PolarHBondContact N-OD1 2.85Å |
| 205 | D | 90 | Very high | 91.6 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | trans | -140.7 | 55.7 | 178.4 | -167.7 | 44.4 | 0 | 0 | 0 | 110 | H203 K207 N210 G243 T244 | H203-D205 PolarHBondContact CE1-O 3.46Å; H203-D205 VanDerWaalsContact ND1-C 3.34Å; H203-D205 PolarHBondContact ND1-O 2.89Å; H203-D205 PolarHBondContact O-N 3.01Å; H203-D205 VanDerWaalsContact O-N 3.14Å; D205-K207 IonicContact OD1-NZ 2.65Å; D205-K207 PolarHBondContact OD1-NZ 3.06Å; D205-K207 IonicContact OD2-NZ 2.74Å; D205-K207 PolarHBondContact OD2-NZ 2.73Å; D205-N210 PolarHBondContact O-ND2 2.85Å; D205-N210 PolarHBondContact OD2-ND2 2.99Å; D205-G243 WeakPolarHBondContact OD1-CA 3.39Å; D205-T244 PolarHBondContact OD1-N 3.12Å; D205-T244 PolarHBondContact OD1-OG1 3.14Å | ||
| 206 | I | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | -79.1 | 124.5 | 170.4 | -58.1 | -66 | 0 | 0 | 0 | 107.9 | M189 I193 H203 L221 D268 | M189-I206 HydrophobicContact CE-CG2 3.85Å; I193-I206 HydrophobicContact CD1-CD1 4.33Å; I193-I206 HydrophobicContact CD1-CG1 4.33Å; I193-I206 HydrophobicContact CD1-CG2 4.34Å; I193-I206 HydrophobicContact CG1-CD1 3.95Å; I193-I206 HydrophobicContact CG1-CG1 4.41Å; H203-I206 HydrophobicContact CB-CD1 3.52Å; H203-I206 HydrophobicContact CB-CG1 3.95Å; I206-L221 HydrophobicContact CD1-CD1 3.65Å; I206-L221 HydrophobicContact CD1-CD2 3.81Å; I206-L221 HydrophobicContact CD1-CG 4.39Å; I206-D268 HydrophobicContact CG1-CB 4.05Å | ||
| 207 | K | 92.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -164.7 | 166.2 | -179.1 | 66.1 | -172 | -173.1 | -136.3 | 0 | 110.2 | D205 D209 N210 T244 Y247 | D205-K207 IonicContact OD1-NZ 2.65Å; D205-K207 PolarHBondContact OD1-NZ 3.06Å; D205-K207 IonicContact OD2-NZ 2.74Å; D205-K207 PolarHBondContact OD2-NZ 2.73Å; K207-D209 VanDerWaalsContact C-N 3.3Å; K207-D209 HydrophobicContact CD-CB 4.42Å; K207-D209 VanDerWaalsContact CD-OD2 3.24Å; K207-D209 WeakPolarHBondContact CD-OD2 3.5Å; K207-D209 VanDerWaalsContact CE-OD2 3.31Å; K207-D209 WeakPolarHBondContact CE-OD2 3.12Å; K207-D209 HydrophobicContact CG-CB 4.25Å; K207-D209 WeakPolarHBondContact CG-OD2 3.33Å; K207-D209 PolarHBondContact O-N 3.45Å; K207-N210 WeakPolarHBondContact CE-ND2 3.28Å; K207-N210 WeakPolarHBondContact CE-OD1 3.33Å; K207-N210 HydrophobicContact CG-CB 4.1Å; K207-N210 PolarHBondContact O-N 3.05Å; K207-N210 VanDerWaalsContact O-N 3.08Å; K207-T244 HydrophobicContact CD-CG2 4.32Å; K207-T244 WeakPolarHBondContact CD-OG1 3.42Å; K207-T244 WeakPolarHBondContact CE-OG1 3.32Å; K207-T244 PolarHBondContact NZ-OG1 2.86Å; K207-Y247 HydrophobicContact CB-CD1 4.18Å; K207-Y247 HydrophobicContact CB-CD2 3.77Å; K207-Y247 HydrophobicContact CB-CE1 4.32Å; K207-Y247 HydrophobicContact CB-CE2 3.9Å; K207-Y247 HydrophobicContact CB-CG 3.92Å |
| 208 | P | 90.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -63.8 | -27.9 | -175.3 | -21.8 | 34.8 | 0 | 0 | 0 | 114.6 | M166 L167 L170 N210 V211 Y247 V275 E278 | M166-P208 HydrophobicContact CB-CB 4.22Å; M166-P208 WeakPolarHBondContact CB-O 3.42Å; M166-P208 HydrophobicContact CG-CB 4.28Å; M166-P208 PolarHBondContact N-O 3.37Å; M166-P208 VanDerWaalsContact N-O 3.17Å; L167-P208 HydrophobicContact CB-CB 3.96Å; L167-P208 HydrophobicContact CD1-CB 4.47Å; L167-P208 PolarHBondContact N-O 3.47Å; L170-P208 HydrophobicContact CD1-CB 3.74Å; L170-P208 HydrophobicContact CD1-CG 3.67Å; P208-N210 VanDerWaalsContact C-N 3.27Å; P208-N210 PolarHBondContact O-N 3Å; P208-V211 PolarHBondContact O-N 3.3Å; P208-Y247 WeakPolarHBondContact CD-OH 3.36Å; P208-Y247 HydrophobicContact CG-CE1 4.34Å; P208-V275 HydrophobicContact CG-CG1 4.4Å; P208-V275 HydrophobicContact CG-CG2 4.28Å; P208-E278 WeakPolarHBondContact CG-OE2 3.37Å |
| 209 | D | 87.1 | Confident | 91.8 | Very high | 67 Ų | 67 | 18.4 Ų | 18.4 | 36% | 0.358 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -63.4 | -34 | 174.5 | -37.7 | -114.7 | 0 | 0 | 0 | 112.6 | L167 K207 V211 | L167-D209 WeakPolarHBondContact CD2-OD1 3.25Å; K207-D209 VanDerWaalsContact C-N 3.3Å; K207-D209 HydrophobicContact CD-CB 4.42Å; K207-D209 VanDerWaalsContact CD-OD2 3.24Å; K207-D209 WeakPolarHBondContact CD-OD2 3.5Å; K207-D209 VanDerWaalsContact CE-OD2 3.31Å; K207-D209 WeakPolarHBondContact CE-OD2 3.12Å; K207-D209 HydrophobicContact CG-CB 4.25Å; K207-D209 WeakPolarHBondContact CG-OD2 3.33Å; K207-D209 PolarHBondContact O-N 3.45Å; D209-V211 VanDerWaalsContact C-N 3.34Å |
| 210 | N | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.053 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -90.4 | -1.1 | -173 | -71.2 | -4.3 | 0 | 0 | 0 | 112.3 | D205 K207 P208 A222 | D205-N210 PolarHBondContact O-ND2 2.85Å; D205-N210 PolarHBondContact OD2-ND2 2.99Å; K207-N210 WeakPolarHBondContact CE-ND2 3.28Å; K207-N210 WeakPolarHBondContact CE-OD1 3.33Å; K207-N210 HydrophobicContact CG-CB 4.1Å; K207-N210 PolarHBondContact O-N 3.05Å; K207-N210 VanDerWaalsContact O-N 3.08Å; P208-N210 VanDerWaalsContact C-N 3.27Å; P208-N210 PolarHBondContact O-N 3Å; N210-A222 PolarHBondContact O-N 2.8Å |
| 211 | V | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 105.9 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | M166 M189 P208 D209 I219 L221 | M166-V211 HydrophobicContact CB-CB 3.98Å; M166-V211 HydrophobicContact CB-CG1 4.26Å; M166-V211 WeakPolarHBondContact CB-O 3.49Å; M166-V211 HydrophobicContact CE-CB 4.4Å; M166-V211 HydrophobicContact CE-CG1 3.63Å; M166-V211 PolarHBondContact N-O 3.37Å; M166-V211 HydrophobicContact SD-CB 4.05Å; M166-V211 HydrophobicContact SD-CG1 3.93Å; M166-V211 HydrophobicContact SD-CG2 4.45Å; M189-V211 HydrophobicContact CE-CG2 3.89Å; M189-V211 HydrophobicContact CG-CG1 4.49Å; M189-V211 HydrophobicContact SD-CG2 4.3Å; P208-V211 PolarHBondContact O-N 3.3Å; D209-V211 VanDerWaalsContact C-N 3.34Å; V211-I219 HydrophobicContact CG1-CB 3.7Å; V211-I219 HydrophobicContact CG1-CD1 4.11Å; V211-I219 HydrophobicContact CG1-CG1 4.35Å; V211-I219 HydrophobicContact CG1-CG2 3.78Å; V211-L221 HydrophobicContact CG2-CD1 4.46Å |
| 212 | L | 94.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 16.3 Ų | 16.3 | 15% | 0.152 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 152.9 | -176.8 | -55.8 | -177.5 | 0 | 0 | 0 | 111.2 | Y161 G164 D165 I219 V220 A222 F375 | Y161-L212 HydrophobicContact CD2-CB 4.48Å; Y161-L212 HydrophobicContact CD2-CD1 3.87Å; Y161-L212 HydrophobicContact CG-CB 4.32Å; Y161-L212 HydrophobicContact CG-CD1 4.43Å; G164-L212 CarbonylContact O-C 3.57Å; G164-L212 WeakPolarHBondContact O-CA 3.29Å; D165-L212 HydrophobicContact CB-CD2 4.01Å; L212-I219 CarbonylContact O-C 3.57Å; L212-I219 VanDerWaalsContact O-CA 3.3Å; L212-I219 WeakPolarHBondContact O-CA 2.97Å; L212-V220 HydrophobicContact CB-CG2 3.95Å; L212-V220 PolarHBondContact N-O 2.89Å; L212-V220 PolarHBondContact O-N 2.86Å; L212-A222 HydrophobicContact CD1-CB 3.68Å; L212-A222 HydrophobicContact CG-CB 3.91Å; L212-F375 HydrophobicContact CD2-CE1 4.18Å |
| 213 | L | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.1 | 179.2 | -76.2 | 96.5 | 0 | 0 | 0 | 112.7 | Y161 G163 G164 M166 M169 Y185 I219 Y362 | Y161-L213 CarbonylContact C-O 3.47Å; Y161-L213 WeakPolarHBondContact CB-O 3.43Å; G163-L213 WeakPolarHBondContact CA-O 3Å; G163-L213 PolarHBondContact N-O 3.38Å; G163-L213 VanDerWaalsContact N-O 3.08Å; G164-L213 PolarHBondContact O-N 3.04Å; M166-L213 HydrophobicContact CB-CD1 4.25Å; M169-L213 HydrophobicContact CE-CD1 3.95Å; M169-L213 HydrophobicContact CE-CD2 3.47Å; M169-L213 VanDerWaalsContact CE-CD2 3.47Å; M169-L213 HydrophobicContact CE-CG 4.29Å; Y185-L213 HydrophobicContact CE1-CD2 4.48Å; L213-I219 HydrophobicContact CG-CG2 4.34Å; L213-Y362 HydrophobicContact CD2-CD1 4.41Å |
| 214 | Q | 92.5 | Very high | 91.6 | Very high | 50 Ų | 50 | 19.5 Ų | 19.5 | 23% | 0.234 | 11% | 0.111 | C | C | . | . | trans | -69 | 160.7 | 164.4 | -59.7 | -176.9 | 19 | 0 | 0 | 110.7 | Y161 S216 G217 H218 V220 | Y161-Q214 HydrophobicContact CD1-CG 4.02Å; Y161-Q214 HydrophobicContact CE1-CG 4.23Å; Q214-S216 VanDerWaalsContact CB-OG 3.23Å; Q214-S216 WeakPolarHBondContact CB-OG 2.95Å; Q214-S216 PolarHBondContact O-N 2.86Å; Q214-S216 VanDerWaalsContact O-N 3.09Å; Q214-S216 PolarHBondContact OE1-OG 3.34Å; Q214-G217 PolarHBondContact O-N 3.31Å; Q214-H218 PolarHBondContact N-O 3.46Å; Q214-V220 HydrophobicContact CG-CG1 4.29Å | ||
| 215 | S | 89.1 | Confident | 91.1 | Very high | 71 Ų | 71 | 20.4 Ų | 20.4 | 50% | 0.497 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.1 | 172.4 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | N162 | N162-S215 WeakPolarHBondContact OD1-CB 3.11Š|
| 216 | S | 91.2 | Very high | 90.6 | Very high | 44 Ų | 44 | 20.5 Ų | 20.5 | 31% | 0.308 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -21 | 171.9 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | Q214 P360 | Q214-S216 VanDerWaalsContact CB-OG 3.23Å; Q214-S216 WeakPolarHBondContact CB-OG 2.95Å; Q214-S216 PolarHBondContact O-N 2.86Å; Q214-S216 VanDerWaalsContact O-N 3.09Å; Q214-S216 PolarHBondContact OE1-OG 3.34Å; S216-P360 WeakPolarHBondContact O-CG 3.4Å |
| 217 | G | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 99.3 | -11.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y185 Q214 | Y185-G217 VanDerWaalsContact CE1-O 3.32Å; Y185-G217 WeakPolarHBondContact CE1-O 3.38Å; Y185-G217 PolarHBondContact OH-O 3.25Å; Y185-G217 VanDerWaalsContact OH-O 3.04Å; Q214-G217 PolarHBondContact O-N 3.31Å |
| 218 | H | 95.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 19.8 Ų | 19.8 | 7% | 0.069 | 12% | 0.12 | C | C | . | . | trans | -71.7 | 146.8 | 174.9 | -65.1 | -76.5 | 0 | 0 | 0 | 111.6 | E188 Q214 H356 Q358 | E188-H218 IonicContact OE1-CE1 2.63Å; E188-H218 IonicContact OE1-CG 3.68Å; E188-H218 IonicContact OE1-ND1 2.76Å; E188-H218 PolarHBondContact OE1-ND1 3.33Å; Q214-H218 PolarHBondContact N-O 3.46Å; H218-H356 AromaticContact CG-CE1 3.77Å; H218-H356 AromaticContact CG-ND1 3.78Å; H218-H356 AromaticContact ND1-ND1 3.67Å; H218-Q358 PolarHBondContact CE1-O 3.07Å; H218-Q358 PolarHBondContact NE2-O 2.91Å | ||
| 219 | I | 95.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 155.6 | -180 | 66.7 | 105.7 | 0 | 0 | 0 | 113.8 | M166 Y185 E188 M189 A192 V211 L212 L213 | M166-I219 HydrophobicContact CE-CG2 3.78Å; Y185-I219 HydrophobicContact CD1-CG2 3.55Å; Y185-I219 HydrophobicContact CE1-CG2 3.74Å; E188-I219 HydrophobicContact CB-CD1 4.08Å; E188-I219 HydrophobicContact CB-CG1 3.49Å; E188-I219 VanDerWaalsContact CB-CG1 3.49Å; E188-I219 HydrophobicContact CG-CG1 4.43Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.45Å; E188-I219 PolarHBondContact OE2-N 2.7Å; M189-I219 HydrophobicContact CG-CD1 4.14Å; A192-I219 HydrophobicContact CB-CD1 3.9Å; V211-I219 HydrophobicContact CG1-CB 3.7Å; V211-I219 HydrophobicContact CG1-CD1 4.11Å; V211-I219 HydrophobicContact CG1-CG1 4.35Å; V211-I219 HydrophobicContact CG1-CG2 3.78Å; L212-I219 CarbonylContact O-C 3.57Å; L212-I219 VanDerWaalsContact O-CA 3.3Å; L212-I219 WeakPolarHBondContact O-CA 2.97Å; L213-I219 HydrophobicContact CG-CG2 4.34Å |
| 220 | V | 94.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.6 | 162.3 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | W140 Y161 L212 Q214 | W140-V220 CarbonylContact O-C 3.53Å; W140-V220 WeakPolarHBondContact O-CA 3.3Å; Y161-V220 HydrophobicContact CD1-CG2 3.8Å; Y161-V220 HydrophobicContact CD2-CG2 4.09Å; Y161-V220 HydrophobicContact CE1-CB 4.5Å; Y161-V220 HydrophobicContact CE1-CG1 4.08Å; Y161-V220 HydrophobicContact CE1-CG2 3.67Å; Y161-V220 HydrophobicContact CE2-CG2 3.97Å; Y161-V220 HydrophobicContact CG-CG2 4.02Å; L212-V220 HydrophobicContact CB-CG2 3.95Å; L212-V220 PolarHBondContact N-O 2.89Å; L212-V220 PolarHBondContact O-N 2.86Å; Q214-V220 HydrophobicContact CG-CG1 4.29Å |
| 221 | L | 94.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140 | 174.3 | -175.2 | 63.7 | 0 | 0 | 0 | 110.9 | W140 L141 A142 A192 L196 I206 V211 F224 | W140-L221 PolarHBondContact O-N 3.01Å; L141-L221 HydrophobicContact CD2-CB 4.05Å; L141-L221 HydrophobicContact CD2-CD2 4.28Å; A142-L221 WeakPolarHBondContact CB-O 3.48Å; A142-L221 PolarHBondContact N-O 3.27Å; A192-L221 HydrophobicContact CB-CB 4.33Å; L196-L221 HydrophobicContact CD2-CD2 4.24Å; I206-L221 HydrophobicContact CD1-CD1 3.65Å; I206-L221 HydrophobicContact CD1-CD2 3.81Å; I206-L221 HydrophobicContact CD1-CG 4.39Å; V211-L221 HydrophobicContact CG2-CD1 4.46Å; L221-F224 HydrophobicContact CD2-CE1 4.35Å; L221-F224 HydrophobicContact CG-CE1 4.17Å; L221-F224 WeakPolarHBondContact O-CZ 3.15Å |
| 222 | A | 90.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | trans | -141.8 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A142 H203 N210 L212 | A142-A222 HydrophobicContact CB-CB 3.96Å; H203-A222 PolarHBondContact CE1-O 2.92Å; H203-A222 VanDerWaalsContact CE1-O 3.25Å; H203-A222 PolarHBondContact NE2-O 3.29Å; N210-A222 PolarHBondContact O-N 2.8Å; L212-A222 HydrophobicContact CD1-CB 3.68Å; L212-A222 HydrophobicContact CG-CB 3.91Å | ||
| 223 | D | 85.6 | Confident | 87.4 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | trans | 57.8 | 56.2 | -174.7 | -157.1 | 15.4 | 0 | 0 | 0 | 115.9 | K107 G225 | K107-D223 IonicContact NZ-OD1 3.7Å; K107-D223 PolarHBondContact NZ-OD1 2.91Å; D223-G225 PolarHBondContact O-N 2.88Å | ||
| 224 | F | 86.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -63.5 | 8.7 | 173.6 | -47.3 | -65.1 | 0 | 0 | 0 | 114.8 | E126 V129 M130 L141 A142 L196 H203 L221 S226 C227 | E126-F224 HydrophobicContact CB-CB 4.36Å; E126-F224 HydrophobicContact CG-CB 4.21Å; V129-F224 HydrophobicContact CB-CB 4.36Å; V129-F224 HydrophobicContact CB-CG 4.31Å; V129-F224 HydrophobicContact CG1-CB 4.21Å; V129-F224 HydrophobicContact CG1-CD1 3.7Å; V129-F224 HydrophobicContact CG1-CD2 3.95Å; V129-F224 HydrophobicContact CG1-CE1 4.01Å; V129-F224 HydrophobicContact CG1-CE2 4.23Å; V129-F224 HydrophobicContact CG1-CG 3.66Å; V129-F224 HydrophobicContact CG1-CZ 4.26Å; M130-F224 HydrophobicContact CG-CD2 3.51Å; M130-F224 HydrophobicContact CG-CE2 3.57Å; M130-F224 HydrophobicContact SD-CD2 4.13Å; M130-F224 HydrophobicContact SD-CE2 4.26Å; L141-F224 HydrophobicContact CB-CZ 4.02Å; L141-F224 HydrophobicContact CD2-CE1 4.06Å; L141-F224 HydrophobicContact CD2-CZ 4.08Å; A142-F224 HydrophobicContact CB-CE2 4.16Å; L196-F224 HydrophobicContact CD1-CD1 4.34Å; L196-F224 HydrophobicContact CD1-CE1 4.4Å; H203-F224 AromaticContact CD2-CD1 3.69Å; H203-F224 AromaticContact NE2-CD1 3.52Å; H203-F224 AromaticContact NE2-CE1 4Å; L221-F224 HydrophobicContact CD2-CE1 4.35Å; L221-F224 HydrophobicContact CG-CE1 4.17Å; L221-F224 WeakPolarHBondContact O-CZ 3.15Å; F224-S226 PolarHBondContact O-N 2.97Å; F224-S226 VanDerWaalsContact O-N 3.16Å; F224-C227 HydrophobicContact CB-CB 4.36Å; F224-C227 VanDerWaalsContact O-CB 3.25Å; F224-C227 WeakPolarHBondContact O-CB 3.5Å; F224-C227 PolarHBondContact O-N 3.49Å |
| 225 | G | 79.2 | Confident | 86.3 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -64.1 | -14 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C122 D223 | C122-G225 WeakPolarHBondContact CB-O 3.21Å; D223-G225 PolarHBondContact O-N 2.88Å |
| 226 | S | 78.3 | Confident | 85.7 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -94.1 | -9.4 | 170.9 | -71 | 0 | 0 | 0 | 0 | 113.9 | H203 R204 F224 | H203-S226 CarbonylContact O-C 3.36Å; H203-S226 VanDerWaalsContact O-CB 3.25Å; H203-S226 WeakPolarHBondContact O-CB 2.96Å; R204-S226 VanDerWaalsContact CZ-O 3.25Å; R204-S226 PolarHBondContact NE-O 3.35Å; R204-S226 PolarHBondContact NH2-O 2.82Å; F224-S226 PolarHBondContact O-N 2.97Å; F224-S226 VanDerWaalsContact O-N 3.16Å |
| 227 | C | 85.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -63.5 | 149.3 | -171.6 | -77.4 | 0 | 0 | 0 | 0 | 114 | V129 V202 H203 F224 | V129-C227 HydrophobicContact CG2-CB 4.3Å; V202-C227 VanDerWaalsContact O-CA 3.22Å; V202-C227 WeakPolarHBondContact O-CA 3.4Å; H203-C227 VanDerWaalsContact CD2-SG 3.56Å; F224-C227 HydrophobicContact CB-CB 4.36Å; F224-C227 VanDerWaalsContact O-CB 3.25Å; F224-C227 WeakPolarHBondContact O-CB 3.5Å; F224-C227 PolarHBondContact O-N 3.49Å | ||
| 228 | L | 85.1 | Confident | 83.5 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.7 | 170.1 | -69.9 | 173.8 | 0 | 0 | 0 | 110.8 | Y201 V202 V236 N238 | Y201-L228 CarbonylContact C-O 3.55Å; Y201-L228 VanDerWaalsContact CA-O 3.27Å; Y201-L228 WeakPolarHBondContact CA-O 3.19Å; V202-L228 HydrophobicContact CG2-CB 4.49Å; V202-L228 PolarHBondContact N-O 3.47Å; V202-L228 PolarHBondContact O-N 2.73Å; V202-L228 VanDerWaalsContact O-N 3.17Å; L228-V236 HydrophobicContact CB-CG1 3.92Å; L228-V236 HydrophobicContact CB-CG2 4.31Å; L228-V236 HydrophobicContact CD1-CG1 3.66Å; L228-V236 HydrophobicContact CG-CG1 4.41Å; L228-N238 HydrophobicContact CD1-CB 3.91Å; L228-N238 VanDerWaalsContact CD1-ND2 3.28Å; L228-N238 WeakPolarHBondContact CD1-ND2 3.4Å |
| 229 | K | 84.5 | Confident | 81.8 | Confident | 135 Ų | 135 | 46 Ų | 46 | 59% | 0.587 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.8 | 175.6 | -166.4 | -170.6 | 172.3 | -172.2 | 0 | 110.4 | G200 Y201 | G200-K229 CarbonylContact O-C 3.49Å; G200-K229 WeakPolarHBondContact O-CA 3.25Å; G200-K229 WeakPolarHBondContact O-CG 3.44Å; Y201-K229 HydrophobicContact CD1-CB 3.97Å; Y201-K229 HydrophobicContact CE1-CB 3.79Å; Y201-K229 HydrophobicContact CE1-CG 4.19Å |
| 230 | L | 85 | Confident | 80 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 141.1 | 171 | -71.9 | 164.3 | 0 | 0 | 0 | 110.6 | G200 V202 G234 V236 V265 | G200-L230 PolarHBondContact O-N 2.99Å; V202-L230 HydrophobicContact CG1-CD1 4.46Å; V202-L230 HydrophobicContact CG1-CD2 3.81Å; V202-L230 HydrophobicContact CG1-CG 4.19Å; L230-G234 WeakPolarHBondContact CD2-O 3.42Å; L230-V236 HydrophobicContact CD2-CG2 4.14Å; L230-V265 HydrophobicContact CD1-CG1 3.88Å; L230-V265 HydrophobicContact CD2-CG1 4.32Å |
| 231 | G | 83.2 | Confident | 78.1 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 166.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N233 G234 L235 | G231-N233 PolarHBondContact O-N 3.38Å; G231-G234 PolarHBondContact O-N 2.82Å; G231-L235 PolarHBondContact N-O 2.94Å; G231-L235 VanDerWaalsContact N-O 3.07Å |
| 232 | E | 74.9 | Confident | 76.2 | Confident | 215 Ų | 215 | 51.5 Ų | 51.5 | 100% | 1.005 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -19.2 | 177.6 | -64.8 | 171.3 | 178.2 | 0 | 0 | 113.4 | ||
| 233 | N | 78.5 | Confident | 74.7 | Confident | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 14.2 | 175.7 | 73.1 | -31.7 | 0 | 0 | 0 | 114.2 | G231 L235 | G231-N233 PolarHBondContact O-N 3.38Å; N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 2.8Å; N233-L235 PolarHBondContact OD1-N 2.83Å; N233-L235 PolarHBondContact OD1-O 3.15Å |
| 234 | G | 80.2 | Confident | 74.1 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 69.8 | 15.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L230 G231 | L230-G234 WeakPolarHBondContact CD2-O 3.42Å; G231-G234 PolarHBondContact O-N 2.82Å |
| 235 | L | 82.9 | Confident | 73.7 | Confident | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.6 | -178.3 | -64 | 174.2 | 0 | 0 | 0 | 111.9 | G231 N233 | G231-L235 PolarHBondContact N-O 2.94Å; G231-L235 VanDerWaalsContact N-O 3.07Å; N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 2.8Å; N233-L235 PolarHBondContact OD1-N 2.83Å; N233-L235 PolarHBondContact OD1-O 3.15Å |
| 236 | V | 76.6 | Confident | 74.1 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.4 | 171.5 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V202 L228 L230 N238 T262 Y263 | V202-V236 HydrophobicContact CG2-CG2 3.77Å; L228-V236 HydrophobicContact CB-CG1 3.92Å; L228-V236 HydrophobicContact CB-CG2 4.31Å; L228-V236 HydrophobicContact CD1-CG1 3.66Å; L228-V236 HydrophobicContact CG-CG1 4.41Å; L230-V236 HydrophobicContact CD2-CG2 4.14Å; V236-N238 HydrophobicContact CG1-CB 4.17Å; V236-T262 WeakPolarHBondContact O-CA 3.31Å; V236-Y263 HydrophobicContact CB-CD2 4.29Å; V236-Y263 HydrophobicContact CB-CE2 3.94Å; V236-Y263 HydrophobicContact CG1-CE2 4.15Å; V236-Y263 PolarHBondContact N-O 3.36Å; V236-Y263 PolarHBondContact O-N 2.65Å |
| 237 | K | 69.2 | Low | 74.8 | Confident | 155 Ų | 155 | 52.6 Ų | 52.6 | 67% | 0.674 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 95.7 | 170.6 | -77.3 | 172.4 | 179.7 | 167.2 | 0 | 110 | G261 T262 | K237-G261 WeakPolarHBondContact CA-O 3.34Å; K237-T262 HydrophobicContact CD-CG2 4.34Å; K237-T262 HydrophobicContact CG-CG2 3.54Å |
| 238 | N | 66.6 | Low | 75.1 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -149.4 | 132.9 | 176.2 | -167.4 | 3.7 | 0 | 0 | 0 | 112.5 | R120 L228 V236 T240 G261 | R120-N238 PolarHBondContact NE-OD1 3.41Å; R120-N238 PolarHBondContact NH2-OD1 3.36Å; L228-N238 HydrophobicContact CD1-CB 3.91Å; L228-N238 VanDerWaalsContact CD1-ND2 3.28Å; L228-N238 WeakPolarHBondContact CD1-ND2 3.4Å; V236-N238 HydrophobicContact CG1-CB 4.17Å; N238-T240 PolarHBondContact OD1-N 2.88Å; N238-T240 PolarHBondContact OD1-OG1 2.94Å; N238-G261 PolarHBondContact N-O 2.9Å | ||
| 239 | N | 60.2 | Low | 75.3 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 40% | 0.401 | 29% | 0.291 | S | S | . | . | trans | -93.5 | -10.2 | -179.1 | -53.4 | 50.8 | 0 | 0 | 0 | 112.6 | A241 A255 S256 G259 | N239-A241 PolarHBondContact O-N 2.72Å; N239-A255 WeakPolarHBondContact CA-O 3.35Å; N239-S256 VanDerWaalsContact O-CA 3.23Å; N239-S256 WeakPolarHBondContact O-CA 3.5Å; N239-S256 VanDerWaalsContact O-CB 3.24Å; N239-S256 WeakPolarHBondContact O-CB 3.44Å; N239-G259 PolarHBondContact ND2-O 2.9Å | ||
| 240 | T | 57.7 | Low | 75.6 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | trans | -80 | 104 | 175.2 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | D119 R204 N238 V242 | D119-T240 HydrophobicContact CB-CG2 3.92Å; D119-T240 WeakPolarHBondContact OD2-CG2 3.5Å; D119-T240 PolarHBondContact OD2-OG1 3.03Å; R204-T240 PolarHBondContact NH1-O 2.88Å; N238-T240 PolarHBondContact OD1-N 2.88Å; N238-T240 PolarHBondContact OD1-OG1 2.94Å; T240-V242 HydrophobicContact CG2-CG2 3.8Å; T240-V242 PolarHBondContact O-N 3.49Å | ||
| 241 | A | 55.5 | Low | 75.7 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | trans | -66.1 | 126.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N239 I252 | N239-A241 PolarHBondContact O-N 2.72Å; A241-I252 HydrophobicContact CB-CG2 4.21Å | ||
| 242 | V | 55.5 | Low | 75.7 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | trans | -143.6 | 135.2 | 178 | -170.9 | 0 | 0 | 0 | 0 | 107 | T240 | T240-V242 HydrophobicContact CG2-CG2 3.8Å; T240-V242 PolarHBondContact O-N 3.49Å | ||
| 243 | G | 58.4 | Low | 76.1 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 152.5 | 151.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D205 | D205-G243 WeakPolarHBondContact OD1-CA 3.39Š|
| 244 | T | 72.9 | Confident | 76.1 | Confident | 38 Ų | 38 | 33.8 Ų | 33.8 | 23% | 0.233 | 19% | 0.19 | C | C | . | . | trans | -61.9 | 138.6 | 172.4 | -71.2 | 0 | 0 | 0 | 0 | 110.5 | D205 K207 D246 Y247 I248 | D205-T244 PolarHBondContact OD1-N 3.12Å; D205-T244 PolarHBondContact OD1-OG1 3.14Å; K207-T244 HydrophobicContact CD-CG2 4.32Å; K207-T244 WeakPolarHBondContact CD-OG1 3.42Å; K207-T244 WeakPolarHBondContact CE-OG1 3.32Å; K207-T244 PolarHBondContact NZ-OG1 2.86Å; T244-D246 VanDerWaalsContact C-N 3.34Å; T244-D246 PolarHBondContact O-N 3.48Å; T244-D246 VanDerWaalsContact O-N 3.15Å; T244-Y247 HydrophobicContact CG2-CD2 3.62Å; T244-Y247 HydrophobicContact CG2-CE2 3.84Å; T244-Y247 PolarHBondContact O-N 2.93Å; T244-I248 PolarHBondContact O-N 2.95Å | ||
| 245 | P | 78 | Confident | 75.6 | Confident | 29 Ų | 29 | 32.3 Ų | 32.3 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.9 | -163.9 | -29.3 | 37.1 | 0 | 0 | 0 | 116.7 | I248 L291 Y295 I298 | P245-I248 WeakPolarHBondContact O-CG2 3.27Å; P245-L291 HydrophobicContact CB-CD2 3.61Å; P245-L291 HydrophobicContact CG-CD2 3.57Å; P245-Y295 HydrophobicContact CB-CE1 3.87Å; P245-I298 WeakPolarHBondContact O-CD1 3.29Å |
| 246 | D | 87.4 | Confident | 74.5 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23 | -174.2 | -52.7 | -92.8 | 0 | 0 | 0 | 113.3 | T244 V274 T284 T294 | T244-D246 VanDerWaalsContact C-N 3.34Å; T244-D246 PolarHBondContact O-N 3.48Å; T244-D246 VanDerWaalsContact O-N 3.15Å; D246-V274 WeakPolarHBondContact O-CG1 3.5Å; D246-T284 HydrophobicContact CB-CG2 4.13Å; D246-T294 WeakPolarHBondContact OD1-CG2 3.43Å |
| 247 | Y | 93.3 | Very high | 73.5 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -17.6 | -176.5 | -51.9 | -88.6 | 0 | 0 | 0 | 113.4 | K207 P208 T244 S271 V274 V275 E278 T284 | K207-Y247 HydrophobicContact CB-CD1 4.18Å; K207-Y247 HydrophobicContact CB-CD2 3.77Å; K207-Y247 HydrophobicContact CB-CE1 4.32Å; K207-Y247 HydrophobicContact CB-CE2 3.9Å; K207-Y247 HydrophobicContact CB-CG 3.92Å; P208-Y247 WeakPolarHBondContact CD-OH 3.36Å; P208-Y247 HydrophobicContact CG-CE1 4.34Å; T244-Y247 HydrophobicContact CG2-CD2 3.62Å; T244-Y247 HydrophobicContact CG2-CE2 3.84Å; T244-Y247 PolarHBondContact O-N 2.93Å; Y247-S271 PolarHBondContact O-OG 3.13Å; Y247-S271 VanDerWaalsContact O-OG 3.04Å; Y247-V274 HydrophobicContact CD1-CB 3.97Å; Y247-V274 HydrophobicContact CD1-CG1 3.36Å; Y247-V274 HydrophobicContact CE1-CG1 3.77Å; Y247-V274 HydrophobicContact CG-CG1 4.09Å; Y247-V275 HydrophobicContact CD1-CG2 3.8Å; Y247-V275 HydrophobicContact CE1-CG2 3.76Å; Y247-E278 VanDerWaalsContact CE1-OE2 3.23Å; Y247-E278 WeakPolarHBondContact CE1-OE2 3.33Å; Y247-E278 VanDerWaalsContact CZ-OE2 3.32Å; Y247-E278 VanDerWaalsContact OH-CD 3.27Å; Y247-E278 PolarHBondContact OH-OE1 2.97Å; Y247-E278 PolarHBondContact OH-OE2 2.72Å; Y247-T284 HydrophobicContact CE1-CG2 4.19Å |
| 248 | I | 90.9 | Very high | 72.6 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -61.8 | 140.7 | -175.9 | -160.2 | 167.6 | 0 | 0 | 0 | 112.1 | T244 P245 I252 L253 W270 Y295 I298 | T244-I248 PolarHBondContact O-N 2.95Å; P245-I248 WeakPolarHBondContact O-CG2 3.27Å; I248-I252 HydrophobicContact CD1-CB 4.45Å; I248-I252 HydrophobicContact CD1-CG2 3.82Å; I248-I252 HydrophobicContact CG1-CB 4.03Å; I248-I252 HydrophobicContact CG1-CG2 3.89Å; I248-L253 HydrophobicContact CD1-CD2 3.97Å; I248-L253 HydrophobicContact CD1-CG 4.42Å; I248-L253 HydrophobicContact CG2-CD1 4.03Å; I248-L253 HydrophobicContact CG2-CD2 4.04Å; I248-L253 HydrophobicContact CG2-CG 4.01Å; I248-W270 PolarHBondContact O-NE1 2.8Å; I248-W270 VanDerWaalsContact O-NE1 3.17Å; I248-Y295 HydrophobicContact CG2-CD1 4.32Å; I248-Y295 HydrophobicContact CG2-CE1 4.06Å; I248-I298 HydrophobicContact CG2-CD1 4.17Å | ||
| 249 | S | 90.7 | Very high | 71.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -83.9 | 151.2 | -178.5 | 83.1 | 0 | 0 | 0 | 0 | 113.4 | E251 I252 L253 C267 W270 | S249-E251 WeakPolarHBondContact CB-OE1 3.25Å; S249-E251 PolarHBondContact O-N 3.03Å; S249-E251 PolarHBondContact OG-OE1 3.1Å; S249-I252 PolarHBondContact O-N 2.93Å; S249-I252 WeakPolarHBondContact OG-CG1 3.21Å; S249-L253 PolarHBondContact O-N 2.87Å; S249-C267 WeakPolarHBondContact OG-CB 3.35Å; S249-W270 VanDerWaalsContact CA-CD1 3.48Å | ||
| 250 | P | 89.5 | Confident | 71.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -32.2 | -177.5 | -22.3 | 31.8 | 0 | 0 | 0 | 112.9 | L253 R254 W270 I298 F301 | P250-L253 PolarHBondContact O-N 2.92Å; P250-R254 VanDerWaalsContact O-CG 3.29Å; P250-R254 WeakPolarHBondContact O-CG 3.21Å; P250-R254 PolarHBondContact O-N 2.93Å; P250-W270 HydrophobicContact CG-CD2 4.5Å; P250-W270 HydrophobicContact CG-CE3 4.39Å; P250-W270 HydrophobicContact CG-CH2 3.68Å; P250-W270 HydrophobicContact CG-CZ2 3.8Å; P250-W270 HydrophobicContact CG-CZ3 3.99Å; P250-I298 HydrophobicContact CB-CG2 4.38Å; P250-I298 HydrophobicContact CG-CG2 3.85Å; P250-I298 WeakPolarHBondContact CG-O 3.33Å; P250-F301 HydrophobicContact CG-CD1 3.85Å; P250-F301 HydrophobicContact CG-CE1 4.25Å |
| 251 | E | 87.3 | Confident | 71.3 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.2 | -21.9 | 177.7 | 66.3 | -77 | 162.9 | 0 | 0 | 115.1 | S249 A255 C267 R332 | S249-E251 WeakPolarHBondContact CB-OE1 3.25Å; S249-E251 PolarHBondContact O-N 3.03Å; S249-E251 PolarHBondContact OG-OE1 3.1Å; E251-A255 VanDerWaalsContact O-CB 3.24Å; E251-A255 WeakPolarHBondContact O-CB 3.21Å; E251-A255 PolarHBondContact O-N 3.4Å; E251-A255 VanDerWaalsContact O-N 3.1Å; E251-C267 WeakPolarHBondContact OE1-CA 3.23Å; E251-C267 WeakPolarHBondContact OE1-CB 3.42Å; E251-R332 IonicContact OE1-CZ 2.7Å; E251-R332 IonicContact OE1-NH1 2.71Å; E251-R332 PolarHBondContact OE1-NH1 2.92Å; E251-R332 IonicContact OE1-NH2 3Å; E251-R332 IonicContact OE2-CZ 2.73Å; E251-R332 IonicContact OE2-NH1 3.16Å; E251-R332 PolarHBondContact OE2-NH1 2.9Å; E251-R332 IonicContact OE2-NH2 3.47Å; E251-R332 PolarHBondContact OE2-NH2 2.89Å |
| 252 | I | 84.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.2 | -38.5 | 168 | -65.9 | 169.9 | 0 | 0 | 0 | 110 | R204 A241 I248 S249 Y263 C267 | R204-I252 HydrophobicContact CB-CD1 4.01Å; R204-I252 HydrophobicContact CG-CD1 4.36Å; A241-I252 HydrophobicContact CB-CG2 4.21Å; I248-I252 HydrophobicContact CD1-CB 4.45Å; I248-I252 HydrophobicContact CD1-CG2 3.82Å; I248-I252 HydrophobicContact CG1-CB 4.03Å; I248-I252 HydrophobicContact CG1-CG2 3.89Å; S249-I252 PolarHBondContact O-N 2.93Å; S249-I252 WeakPolarHBondContact OG-CG1 3.21Å; I252-Y263 HydrophobicContact CG1-CD1 4.06Å; I252-Y263 HydrophobicContact CG1-CD2 4.31Å; I252-Y263 HydrophobicContact CG1-CE1 4.14Å; I252-Y263 HydrophobicContact CG1-CE2 4.4Å; I252-Y263 HydrophobicContact CG1-CG 4.15Å; I252-C267 HydrophobicContact CD1-CB 3.76Å; I252-C267 HydrophobicContact CG1-CB 4.1Å |
| 253 | L | 82.5 | Confident | 73.7 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -55.9 | 173.6 | -67.8 | 173.8 | 0 | 0 | 0 | 111.2 | I248 S249 P250 A255 S256 Y295 I298 M299 | I248-L253 HydrophobicContact CD1-CD2 3.97Å; I248-L253 HydrophobicContact CD1-CG 4.42Å; I248-L253 HydrophobicContact CG2-CD1 4.03Å; I248-L253 HydrophobicContact CG2-CD2 4.04Å; I248-L253 HydrophobicContact CG2-CG 4.01Å; S249-L253 PolarHBondContact O-N 2.87Å; P250-L253 PolarHBondContact O-N 2.92Å; L253-A255 PolarHBondContact O-N 2.92Å; L253-S256 WeakPolarHBondContact O-CB 3.49Å; L253-S256 PolarHBondContact O-N 3.14Å; L253-S256 PolarHBondContact O-OG 3.42Å; L253-Y295 HydrophobicContact CD1-CD1 3.98Å; L253-Y295 HydrophobicContact CD2-CD1 3.85Å; L253-Y295 HydrophobicContact CD2-CE1 4.02Å; L253-Y295 HydrophobicContact CD2-CG 4.46Å; L253-I298 HydrophobicContact CD1-CB 4.33Å; L253-I298 HydrophobicContact CD1-CG2 3.8Å; L253-M299 HydrophobicContact CB-CG 4.48Å; L253-M299 HydrophobicContact CB-SD 3.88Å; L253-M299 HydrophobicContact CD1-CG 3.95Å; L253-M299 HydrophobicContact CD1-SD 4.34Å |
| 254 | R | 78.7 | Confident | 75.2 | Confident | 90 Ų | 90 | 38.5 Ų | 38.5 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -30.6 | 179.4 | -69.1 | 169.3 | -163.8 | -178.2 | 4.7 | 113.3 | P250 S256 E257 D258 M299 | P250-R254 VanDerWaalsContact O-CG 3.29Å; P250-R254 WeakPolarHBondContact O-CG 3.21Å; P250-R254 PolarHBondContact O-N 2.93Å; R254-S256 PolarHBondContact O-N 2.58Å; R254-S256 VanDerWaalsContact O-N 3.16Å; R254-E257 PolarHBondContact O-N 3.31Å; R254-D258 PolarHBondContact O-N 3.37Å; R254-M299 HydrophobicContact CG-CE 3.66Å; R254-M299 HydrophobicContact CG-SD 3.6Å; R254-M299 PolarHBondContact NH2-O 3.06Å |
| 255 | A | 69.4 | Low | 76.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -24.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N239 E251 L253 G261 Y263 | N239-A255 WeakPolarHBondContact CA-O 3.35Å; E251-A255 VanDerWaalsContact O-CB 3.24Å; E251-A255 WeakPolarHBondContact O-CB 3.21Å; E251-A255 PolarHBondContact O-N 3.4Å; E251-A255 VanDerWaalsContact O-N 3.1Å; L253-A255 PolarHBondContact O-N 2.92Å; A255-G261 VanDerWaalsContact CB-CA 3.47Å; A255-Y263 HydrophobicContact CB-CD1 3.93Å; A255-Y263 HydrophobicContact CB-CE1 3.88Å |
| 256 | S | 59.2 | Low | 77 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -80.7 | -23.1 | 174.2 | 73.3 | 0 | 0 | 0 | 0 | 114.3 | N239 L253 R254 | N239-S256 VanDerWaalsContact O-CA 3.23Å; N239-S256 WeakPolarHBondContact O-CA 3.5Å; N239-S256 VanDerWaalsContact O-CB 3.24Å; N239-S256 WeakPolarHBondContact O-CB 3.44Å; L253-S256 WeakPolarHBondContact O-CB 3.49Å; L253-S256 PolarHBondContact O-N 3.14Å; L253-S256 PolarHBondContact O-OG 3.42Å; R254-S256 PolarHBondContact O-N 2.58Å; R254-S256 VanDerWaalsContact O-N 3.16Å |
| 257 | E | 56.8 | Low | 77.2 | Confident | 133 Ų | 133 | 35.5 Ų | 35.5 | 62% | 0.621 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -94.6 | -54.5 | -176 | -59.3 | -172.1 | 124.6 | 0 | 0 | 112.5 | R254 G259 M299 | R254-E257 PolarHBondContact O-N 3.31Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 3.37Å; E257-M299 WeakPolarHBondContact OE2-CE 3.47Å |
| 258 | D | 48.7 | Very low | 77.3 | Confident | 111 Ų | 111 | 34.7 Ų | 34.7 | 59% | 0.594 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -75.7 | -8.3 | -166.4 | -78.8 | -35.3 | 0 | 0 | 0 | 114.5 | R254 H260 | R254-D258 PolarHBondContact O-N 3.37Å; D258-H260 PolarHBondContact O-CD2 2.87Å; D258-H260 PolarHBondContact O-N 3.35Å |
| 259 | G | 50.7 | Low | 77.6 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 70.1 | -20.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N239 E257 G261 | N239-G259 PolarHBondContact ND2-O 2.9Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 3.37Å; G259-G261 VanDerWaalsContact C-N 3.34Å; G259-G261 PolarHBondContact O-N 2.85Å |
| 260 | H | 50.5 | Low | 77.9 | Confident | 160 Ų | 160 | 34.6 Ų | 34.6 | 74% | 0.741 | 19% | 0.188 | S | C | * | . | trans | -94.1 | 31.3 | 178 | -69.2 | -77.4 | 0 | 0 | 0 | 113.2 | D258 T262 | D258-H260 PolarHBondContact O-CD2 2.87Å; D258-H260 PolarHBondContact O-N 3.35Å; H260-T262 PolarHBondContact O-N 3.49Å | ||
| 261 | G | 58.1 | Low | 78.3 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | trans | -63 | 90.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K237 N238 A255 G259 | K237-G261 WeakPolarHBondContact CA-O 3.34Å; N238-G261 PolarHBondContact N-O 2.9Å; A255-G261 VanDerWaalsContact CB-CA 3.47Å; G259-G261 VanDerWaalsContact C-N 3.34Å; G259-G261 PolarHBondContact O-N 2.85Å | ||
| 262 | T | 75.5 | Confident | 78.7 | Confident | 44 Ų | 44 | 34 Ų | 34 | 27% | 0.27 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.8 | 170.8 | 46.7 | 0 | 0 | 0 | 0 | 112.3 | V236 K237 H260 R329 | V236-T262 WeakPolarHBondContact O-CA 3.31Å; K237-T262 HydrophobicContact CD-CG2 4.34Å; K237-T262 HydrophobicContact CG-CG2 3.54Å; H260-T262 PolarHBondContact O-N 3.49Å; T262-R329 VanDerWaalsContact O-CZ 3.23Å; T262-R329 PolarHBondContact O-NH1 3.15Å; T262-R329 PolarHBondContact O-NH2 2.76Å |
| 263 | Y | 85.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.7 | 169.6 | 50.9 | -99.2 | 0 | 0 | 0 | 110.4 | R204 V236 I252 A255 | R204-Y263 VanDerWaalsContact CD-CE2 3.5Å; R204-Y263 WeakPolarHBondContact CD-OH 3.45Å; R204-Y263 HydrophobicContact CG-CE2 4.24Å; R204-Y263 PolarHBondContact NH1-OH 2.73Å; V236-Y263 HydrophobicContact CB-CD2 4.29Å; V236-Y263 HydrophobicContact CB-CE2 3.94Å; V236-Y263 HydrophobicContact CG1-CE2 4.15Å; V236-Y263 PolarHBondContact N-O 3.36Å; V236-Y263 PolarHBondContact O-N 2.65Å; I252-Y263 HydrophobicContact CG1-CD1 4.06Å; I252-Y263 HydrophobicContact CG1-CD2 4.31Å; I252-Y263 HydrophobicContact CG1-CE1 4.14Å; I252-Y263 HydrophobicContact CG1-CE2 4.4Å; I252-Y263 HydrophobicContact CG1-CG 4.15Å; A255-Y263 HydrophobicContact CB-CD1 3.93Å; A255-Y263 HydrophobicContact CB-CE1 3.88Å |
| 264 | G | 90 | Very high | 80 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -155.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E266 C267 | G264-E266 WeakPolarHBondContact CA-OE2 3.35Å; G264-E266 PolarHBondContact N-OE1 2.69Å; G264-E266 PolarHBondContact N-OE2 3.44Å; G264-E266 VanDerWaalsContact N-OE2 3.13Å; G264-E266 PolarHBondContact O-N 3.47Å; G264-E266 VanDerWaalsContact O-N 3.1Å; G264-C267 PolarHBondContact O-N 2.69Å; G264-C267 PolarHBondContact O-SG 3.48Å |
| 265 | V | 93.5 | Very high | 80.8 | Confident | 29 Ų | 29 | 28.8 Ų | 28.8 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -25.3 | 176.2 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | H197 V202 L230 C267 D268 Y269 | H197-V265 HydrophobicContact CB-CG1 4.08Å; H197-V265 PolarHBondContact CE1-O 3.28Å; H197-V265 WeakPolarHBondContact ND1-CB 3.12Å; V202-V265 HydrophobicContact CG1-CG1 4.08Å; L230-V265 HydrophobicContact CD1-CG1 3.88Å; L230-V265 HydrophobicContact CD2-CG1 4.32Å; V265-C267 PolarHBondContact O-N 2.93Å; V265-C267 VanDerWaalsContact O-N 3.12Å; V265-D268 PolarHBondContact O-N 3.39Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å |
| 266 | E | 94 | Very high | 82 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -18.2 | -176.8 | 76.2 | -79 | -172.6 | 0 | 0 | 114.3 | G264 W270 R329 R332 R335 | G264-E266 WeakPolarHBondContact CA-OE2 3.35Å; G264-E266 PolarHBondContact N-OE1 2.69Å; G264-E266 PolarHBondContact N-OE2 3.44Å; G264-E266 VanDerWaalsContact N-OE2 3.13Å; G264-E266 PolarHBondContact O-N 3.47Å; G264-E266 VanDerWaalsContact O-N 3.1Å; E266-W270 PolarHBondContact O-N 2.69Å; E266-R329 HydrophobicContact CG-CB 3.87Å; E266-R329 IonicContact OE1-CZ 3.52Å; E266-R329 IonicContact OE1-NE 3.66Å; E266-R329 PolarHBondContact OE1-NE 3.3Å; E266-R329 IonicContact OE1-NH2 3.67Å; E266-R329 PolarHBondContact OE1-NH2 3.09Å; E266-R332 VanDerWaalsContact O-CD 3.24Å; E266-R332 WeakPolarHBondContact O-CD 3.38Å; E266-R332 PolarHBondContact O-NH1 3.49Å; E266-R335 HydrophobicContact CB-CB 3.96Å; E266-R335 HydrophobicContact CB-CG 4.18Å |
| 267 | C | 92.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.5 | -32.2 | 178.8 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | S249 E251 I252 G264 V265 W270 S271 | S249-C267 WeakPolarHBondContact OG-CB 3.35Å; E251-C267 WeakPolarHBondContact OE1-CA 3.23Å; E251-C267 WeakPolarHBondContact OE1-CB 3.42Å; I252-C267 HydrophobicContact CD1-CB 3.76Å; I252-C267 HydrophobicContact CG1-CB 4.1Å; G264-C267 PolarHBondContact O-N 2.69Å; G264-C267 PolarHBondContact O-SG 3.48Å; V265-C267 PolarHBondContact O-N 2.93Å; V265-C267 VanDerWaalsContact O-N 3.12Å; C267-W270 PolarHBondContact O-N 3.35Å; C267-S271 PolarHBondContact O-N 3.11Å; C267-S271 PolarHBondContact O-OG 2.99Å |
| 268 | D | 95.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 177.3 | -67.2 | -35.6 | 0 | 0 | 0 | 111.1 | I193 H197 V202 H203 R204 I206 V265 W270 S271 L272 | I193-D268 HydrophobicContact CG2-CB 3.92Å; H197-D268 IonicContact CD2-OD2 3.33Å; H197-D268 IonicContact CE1-OD2 3.42Å; H197-D268 IonicContact NE2-OD2 2.82Å; H197-D268 PolarHBondContact NE2-OD2 2.72Å; V202-D268 WeakPolarHBondContact CA-OD2 3.02Å; V202-D268 WeakPolarHBondContact CB-OD2 3.31Å; H203-D268 WeakPolarHBondContact CB-OD1 3.4Å; H203-D268 PolarHBondContact N-OD1 3.22Å; H203-D268 PolarHBondContact N-OD2 2.78Å; R204-D268 PolarHBondContact N-OD1 2.85Å; I206-D268 HydrophobicContact CG1-CB 4.05Å; V265-D268 PolarHBondContact O-N 3.39Å; D268-W270 PolarHBondContact O-N 2.82Å; D268-S271 WeakPolarHBondContact O-CB 3.23Å; D268-S271 PolarHBondContact O-N 2.86Å; D268-L272 PolarHBondContact O-N 2.88Å |
| 269 | Y | 97.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.8 | -26 | 176.6 | -64.2 | -65.4 | 0 | 0 | 0 | 113.7 | I193 H197 V265 L272 G273 G334 L341 | I193-Y269 HydrophobicContact CB-CE1 4.45Å; I193-Y269 HydrophobicContact CG2-CD1 4.39Å; I193-Y269 HydrophobicContact CG2-CE1 3.78Å; I193-Y269 HydrophobicContact CG2-CE2 4.38Å; H197-Y269 AromaticContact CE1-CE2 3.51Å; H197-Y269 AromaticContact CE1-CZ 3.87Å; H197-Y269 AromaticContact ND1-CE2 3.67Å; H197-Y269 AromaticContact ND1-CZ 3.88Å; H197-Y269 PolarHBondContact ND1-OH 3.27Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å; Y269-L272 HydrophobicContact CD1-CD2 4.05Å; Y269-G273 PolarHBondContact O-N 2.96Å; Y269-G273 VanDerWaalsContact O-N 3.11Å; Y269-G334 WeakPolarHBondContact CE2-O 3.34Å; Y269-L341 HydrophobicContact CD1-CD1 3.62Å; Y269-L341 HydrophobicContact CE1-CD1 3.42Å; Y269-L341 VanDerWaalsContact CE1-CD1 3.42Å; Y269-L341 HydrophobicContact CG-CD1 4.48Å |
| 270 | W | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 167 | 170.2 | -85 | 0 | 0 | 0 | 110.9 | I248 S249 P250 E266 C267 D268 L272 G273 V274 F286 I298 F301 I326 | I248-W270 PolarHBondContact O-NE1 2.8Å; I248-W270 VanDerWaalsContact O-NE1 3.17Å; S249-W270 VanDerWaalsContact CA-CD1 3.48Å; P250-W270 HydrophobicContact CG-CD2 4.5Å; P250-W270 HydrophobicContact CG-CE3 4.39Å; P250-W270 HydrophobicContact CG-CH2 3.68Å; P250-W270 HydrophobicContact CG-CZ2 3.8Å; P250-W270 HydrophobicContact CG-CZ3 3.99Å; E266-W270 PolarHBondContact O-N 2.69Å; C267-W270 PolarHBondContact O-N 3.35Å; D268-W270 PolarHBondContact O-N 2.82Å; W270-L272 VanDerWaalsContact C-N 3.32Å; W270-L272 PolarHBondContact O-N 2.95Å; W270-G273 WeakPolarHBondContact O-CA 3.23Å; W270-G273 PolarHBondContact O-N 3.36Å; W270-V274 PolarHBondContact O-N 2.91Å; W270-F286 AromaticContact CH2-CE2 3.89Å; W270-F286 HydrophobicContact CH2-CE2 3.89Å; W270-F286 AromaticContact CH2-CZ 3.85Å; W270-F286 HydrophobicContact CH2-CZ 3.85Å; W270-F286 HydrophobicContact CZ2-CD2 4.26Å; W270-F286 AromaticContact CZ2-CE2 3.41Å; W270-F286 HydrophobicContact CZ2-CE2 3.41Å; W270-F286 VanDerWaalsContact CZ2-CE2 3.41Å; W270-F286 AromaticContact CZ2-CZ 3.86Å; W270-F286 HydrophobicContact CZ2-CZ 3.86Å; W270-I298 HydrophobicContact CZ2-CG2 4.14Å; W270-F301 HydrophobicContact CH2-CB 3.67Å; W270-F301 HydrophobicContact CH2-CD1 4Å; W270-F301 HydrophobicContact CH2-CD2 4.11Å; W270-F301 AromaticContact CH2-CG 3.65Å; W270-F301 HydrophobicContact CH2-CG 3.65Å; W270-F301 HydrophobicContact CZ3-CD1 4.31Å; W270-F301 HydrophobicContact CZ3-CD2 4.18Å; W270-F301 HydrophobicContact CZ3-CG 4.07Å; W270-I326 HydrophobicContact CE3-CG2 4.19Å; W270-I326 HydrophobicContact CH2-CG2 3.53Å; W270-I326 HydrophobicContact CZ2-CG2 4.07Å; W270-I326 HydrophobicContact CZ3-CB 4.29Å; W270-I326 HydrophobicContact CZ3-CG2 3.6Å |
| 271 | S | 96.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | -178.5 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | Y247 C267 D268 G273 V274 V275 | Y247-S271 PolarHBondContact O-OG 3.13Å; Y247-S271 VanDerWaalsContact O-OG 3.04Å; C267-S271 PolarHBondContact O-N 3.11Å; C267-S271 PolarHBondContact O-OG 2.99Å; D268-S271 WeakPolarHBondContact O-CB 3.23Å; D268-S271 PolarHBondContact O-N 2.86Å; S271-G273 VanDerWaalsContact C-N 3.33Å; S271-G273 PolarHBondContact O-N 3.46Å; S271-V274 WeakPolarHBondContact O-CB 3.31Å; S271-V274 PolarHBondContact O-N 3.39Å; S271-V275 WeakPolarHBondContact O-CG2 3.45Å; S271-V275 PolarHBondContact O-N 3.02Å |
| 272 | L | 97.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 168.3 | 178.9 | 69.6 | 0 | 0 | 0 | 112.2 | V186 M189 V190 I193 D268 Y269 W270 V274 V275 M276 L325 | V186-L272 HydrophobicContact CG1-CD1 4.32Å; M189-L272 HydrophobicContact CB-CD1 3.74Å; M189-L272 HydrophobicContact CE-CD1 3.72Å; M189-L272 HydrophobicContact SD-CD1 4.17Å; V190-L272 HydrophobicContact CG2-CD2 3.55Å; I193-L272 HydrophobicContact CD1-CB 4.08Å; I193-L272 HydrophobicContact CD1-CD1 4.19Å; I193-L272 HydrophobicContact CD1-CD2 4.36Å; I193-L272 HydrophobicContact CD1-CG 4.44Å; D268-L272 PolarHBondContact O-N 2.88Å; Y269-L272 HydrophobicContact CD1-CD2 4.05Å; W270-L272 VanDerWaalsContact C-N 3.32Å; W270-L272 PolarHBondContact O-N 2.95Å; L272-V274 VanDerWaalsContact C-N 3.35Å; L272-V275 PolarHBondContact O-N 2.72Å; L272-M276 WeakPolarHBondContact O-CB 3.33Å; L272-M276 PolarHBondContact O-N 3.06Å; L272-L325 HydrophobicContact CD2-CD1 4.38Å; L272-L325 HydrophobicContact CD2-CD2 4.5Å; L272-L325 HydrophobicContact CG-CD1 4.4Å |
| 273 | G | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y269 W270 S271 M276 Y277 | Y269-G273 PolarHBondContact O-N 2.96Å; Y269-G273 VanDerWaalsContact O-N 3.11Å; W270-G273 WeakPolarHBondContact O-CA 3.23Å; W270-G273 PolarHBondContact O-N 3.36Å; S271-G273 VanDerWaalsContact C-N 3.33Å; S271-G273 PolarHBondContact O-N 3.46Å; G273-M276 PolarHBondContact O-N 3.23Å; G273-Y277 WeakPolarHBondContact O-CB 3.2Å; G273-Y277 PolarHBondContact O-N 3.42Å |
| 274 | V | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 173.5 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | D246 Y247 W270 S271 L272 M276 Y277 E278 T284 P285 I326 | D246-V274 WeakPolarHBondContact O-CG1 3.5Å; Y247-V274 HydrophobicContact CD1-CB 3.97Å; Y247-V274 HydrophobicContact CD1-CG1 3.36Å; Y247-V274 HydrophobicContact CE1-CG1 3.77Å; Y247-V274 HydrophobicContact CG-CG1 4.09Å; W270-V274 PolarHBondContact O-N 2.91Å; S271-V274 WeakPolarHBondContact O-CB 3.31Å; S271-V274 PolarHBondContact O-N 3.39Å; L272-V274 VanDerWaalsContact C-N 3.35Å; V274-M276 PolarHBondContact O-N 3.42Å; V274-Y277 PolarHBondContact O-N 3.03Å; V274-E278 PolarHBondContact O-N 3.37Å; V274-T284 HydrophobicContact CG1-CG2 4.14Å; V274-P285 HydrophobicContact CG1-CG 4.44Å; V274-P285 HydrophobicContact CG2-CG 4.35Å; V274-I326 HydrophobicContact CG2-CD1 4.43Å |
| 275 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | M189 P208 Y247 S271 L272 Y277 E278 M279 | M189-V275 HydrophobicContact CE-CB 4.37Å; M189-V275 HydrophobicContact CE-CG1 4.03Å; M189-V275 HydrophobicContact SD-CG1 4.16Å; P208-V275 HydrophobicContact CG-CG1 4.4Å; P208-V275 HydrophobicContact CG-CG2 4.28Å; Y247-V275 HydrophobicContact CD1-CG2 3.8Å; Y247-V275 HydrophobicContact CE1-CG2 3.76Å; S271-V275 WeakPolarHBondContact O-CG2 3.45Å; S271-V275 PolarHBondContact O-N 3.02Å; L272-V275 PolarHBondContact O-N 2.72Å; V275-Y277 VanDerWaalsContact C-N 3.34Å; V275-Y277 PolarHBondContact O-N 2.69Å; V275-E278 PolarHBondContact O-N 2.65Å; V275-M279 HydrophobicContact CG1-CE 3.77Å; V275-M279 HydrophobicContact CG1-CG 4.41Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 VanDerWaalsContact O-CG 3.29Å; V275-M279 WeakPolarHBondContact O-CG 3.3Å; V275-M279 PolarHBondContact O-N 2.86Å |
| 276 | M | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.6 | -179.6 | 179.2 | 174.8 | 0 | 0 | 112.2 | V182 V186 L272 G273 V274 L280 A318 L321 I322 F346 | V182-M276 HydrophobicContact CG1-CG 4.2Å; V186-M276 HydrophobicContact CG1-SD 4.35Å; V186-M276 HydrophobicContact CG2-CB 4.15Å; V186-M276 HydrophobicContact CG2-CG 4.09Å; V186-M276 HydrophobicContact CG2-SD 4.48Å; L272-M276 WeakPolarHBondContact O-CB 3.33Å; L272-M276 PolarHBondContact O-N 3.06Å; G273-M276 PolarHBondContact O-N 3.23Å; V274-M276 PolarHBondContact O-N 3.42Å; M276-L280 HydrophobicContact CE-CD1 3.91Å; M276-L280 HydrophobicContact CG-CD1 4.11Å; M276-L280 WeakPolarHBondContact O-CG 3.41Å; M276-L280 PolarHBondContact O-N 3.09Å; M276-A318 HydrophobicContact CE-CB 3.96Å; M276-L321 HydrophobicContact CE-CB 4.24Å; M276-L321 HydrophobicContact CE-CD2 4.01Å; M276-L321 HydrophobicContact CE-CG 4.43Å; M276-L321 HydrophobicContact SD-CB 4.37Å; M276-L321 HydrophobicContact SD-CD2 3.7Å; M276-L321 HydrophobicContact SD-CG 4.01Å; M276-I322 HydrophobicContact CB-CG1 4.47Å; M276-I322 HydrophobicContact CE-CD1 4.37Å; M276-I322 HydrophobicContact CE-CG1 4Å; M276-I322 HydrophobicContact CG-CD1 4.24Å; M276-I322 HydrophobicContact CG-CG1 3.94Å; M276-I322 HydrophobicContact SD-CG1 3.78Å; M276-F346 HydrophobicContact CE-CD1 4.01Å; M276-F346 HydrophobicContact CE-CD2 4.23Å; M276-F346 HydrophobicContact CE-CE1 3.66Å; M276-F346 HydrophobicContact CE-CE2 3.93Å; M276-F346 HydrophobicContact CE-CG 4.27Å; M276-F346 HydrophobicContact CE-CZ 3.62Å; M276-F346 HydrophobicContact SD-CE1 4.45Å |
| 277 | Y | 94.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 173 | -173.1 | -73.9 | 0 | 0 | 0 | 110.5 | G273 V274 V275 M279 L280 F281 E283 P285 F305 T306 I307 I322 | G273-Y277 WeakPolarHBondContact O-CB 3.2Å; G273-Y277 PolarHBondContact O-N 3.42Å; V274-Y277 PolarHBondContact O-N 3.03Å; V275-Y277 VanDerWaalsContact C-N 3.34Å; V275-Y277 PolarHBondContact O-N 2.69Å; Y277-M279 PolarHBondContact O-N 3.28Å; Y277-L280 PolarHBondContact O-N 3.18Å; Y277-F281 HydrophobicContact CD1-CB 3.94Å; Y277-F281 AromaticContact CD1-CD2 3.73Å; Y277-F281 HydrophobicContact CD1-CD2 3.73Å; Y277-F281 HydrophobicContact CD1-CG 4.2Å; Y277-F281 AromaticContact CD2-CD2 3.63Å; Y277-F281 HydrophobicContact CD2-CD2 3.63Å; Y277-F281 AromaticContact CD2-CE2 3.88Å; Y277-F281 HydrophobicContact CD2-CE2 3.88Å; Y277-F281 HydrophobicContact CE1-CB 3.74Å; Y277-F281 AromaticContact CE1-CD2 3.89Å; Y277-F281 HydrophobicContact CE1-CD2 3.89Å; Y277-F281 HydrophobicContact CE1-CG 4.01Å; Y277-F281 AromaticContact CE2-CD2 3.81Å; Y277-F281 HydrophobicContact CE2-CD2 3.81Å; Y277-F281 HydrophobicContact CE2-CE2 4.06Å; Y277-F281 HydrophobicContact CE2-CG 4.43Å; Y277-F281 AromaticContact CG-CD2 3.62Å; Y277-F281 HydrophobicContact CG-CD2 3.62Å; Y277-F281 HydrophobicContact CG-CE2 4.27Å; Y277-F281 AromaticContact CZ-CD2 3.95Å; Y277-F281 WeakPolarHBondContact O-CB 3.28Å; Y277-F281 WeakPolarHBondContact O-CD2 3.16Å; Y277-F281 PolarHBondContact O-N 3.46Å; Y277-E283 VanDerWaalsContact CD1-O 3.23Å; Y277-E283 WeakPolarHBondContact CD1-O 3.37Å; Y277-E283 WeakPolarHBondContact CE1-O 3.5Å; Y277-P285 HydrophobicContact CD1-CB 3.81Å; Y277-P285 VanDerWaalsContact CD1-CD 3.48Å; Y277-P285 HydrophobicContact CD1-CG 4.02Å; Y277-P285 HydrophobicContact CD2-CB 3.88Å; Y277-P285 HydrophobicContact CD2-CG 4.31Å; Y277-P285 HydrophobicContact CE1-CB 3.78Å; Y277-P285 HydrophobicContact CE1-CG 4.47Å; Y277-P285 HydrophobicContact CE2-CB 3.84Å; Y277-P285 HydrophobicContact CG-CB 3.85Å; Y277-P285 HydrophobicContact CG-CG 3.92Å; Y277-F305 AromaticContact CD2-CE2 3.89Å; Y277-F305 HydrophobicContact CD2-CE2 3.89Å; Y277-F305 AromaticContact CE2-CE2 3.84Å; Y277-F305 HydrophobicContact CE2-CE2 3.84Å; Y277-T306 PolarHBondContact OH-O 2.9Å; Y277-I307 HydrophobicContact CE2-CG1 4.43Å; Y277-I322 HydrophobicContact CD2-CD1 4.5Å; Y277-I322 HydrophobicContact CD2-CG2 4.11Å |
| 278 | E | 92.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 177.1 | -173.6 | -176.7 | -179.4 | 0 | 0 | 111.8 | L170 P208 Y247 V274 V275 L280 G282 T284 | L170-E278 HydrophobicContact CD1-CG 4.37Å; P208-E278 WeakPolarHBondContact CG-OE2 3.37Å; Y247-E278 VanDerWaalsContact CE1-OE2 3.23Å; Y247-E278 WeakPolarHBondContact CE1-OE2 3.33Å; Y247-E278 VanDerWaalsContact CZ-OE2 3.32Å; Y247-E278 VanDerWaalsContact OH-CD 3.27Å; Y247-E278 PolarHBondContact OH-OE1 2.97Å; Y247-E278 PolarHBondContact OH-OE2 2.72Å; V274-E278 PolarHBondContact O-N 3.37Å; V275-E278 PolarHBondContact O-N 2.65Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.08Å; E278-G282 WeakPolarHBondContact O-CA 3.39Å; E278-G282 PolarHBondContact O-N 3.04Å; E278-T284 HydrophobicContact CB-CG2 4.32Å; E278-T284 HydrophobicContact CG-CG2 4.26Å |
| 279 | M | 92 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.5 | -36.3 | 177 | -73.8 | 174.7 | 171 | 0 | 0 | 114.2 | M166 L170 I177 V182 V186 M189 V275 Y277 | M166-M279 HydrophobicContact CE-CE 3.75Å; M166-M279 HydrophobicContact CG-CE 4.25Å; M166-M279 HydrophobicContact SD-CE 3.22Å; M166-M279 WeakPolarHBondContact SD-CE 3.44Å; L170-M279 HydrophobicContact CD2-CB 4.36Å; L170-M279 HydrophobicContact CD2-CG 3.96Å; I177-M279 HydrophobicContact CD1-CG 4.3Å; I177-M279 PolarHBondContact N-O 3.23Å; V182-M279 HydrophobicContact CG1-CB 4.18Å; V182-M279 HydrophobicContact CG1-SD 3.88Å; V182-M279 HydrophobicContact CG2-CB 3.79Å; V182-M279 HydrophobicContact CG2-SD 4.4Å; V186-M279 HydrophobicContact CG2-SD 4.05Å; M189-M279 HydrophobicContact SD-CE 4.16Å; V275-M279 HydrophobicContact CG1-CE 3.77Å; V275-M279 HydrophobicContact CG1-CG 4.41Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 VanDerWaalsContact O-CG 3.29Å; V275-M279 WeakPolarHBondContact O-CG 3.3Å; V275-M279 PolarHBondContact O-N 2.86Å; Y277-M279 PolarHBondContact O-N 3.28Å |
| 280 | L | 91 | Very high | 90.3 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -94.6 | -35.8 | -173.7 | -69.9 | 167.3 | 0 | 0 | 0 | 112.9 | E179 V182 M276 Y277 E278 I314 A318 I322 | E179-L280 HydrophobicContact CB-CD2 4.09Å; E179-L280 HydrophobicContact CG-CD2 4.1Å; V182-L280 HydrophobicContact CB-CD2 4.13Å; V182-L280 HydrophobicContact CB-CG 4.49Å; V182-L280 HydrophobicContact CG1-CD1 4.29Å; V182-L280 HydrophobicContact CG1-CD2 4.25Å; V182-L280 HydrophobicContact CG1-CG 4.1Å; V182-L280 HydrophobicContact CG2-CD2 3.72Å; V182-L280 HydrophobicContact CG2-CG 4.11Å; M276-L280 HydrophobicContact CE-CD1 3.91Å; M276-L280 HydrophobicContact CG-CD1 4.11Å; M276-L280 WeakPolarHBondContact O-CG 3.41Å; M276-L280 PolarHBondContact O-N 3.09Å; Y277-L280 PolarHBondContact O-N 3.18Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.08Å; L280-I314 HydrophobicContact CB-CD1 4.03Å; L280-I314 HydrophobicContact CD1-CG2 4.42Å; L280-A318 HydrophobicContact CD1-CB 4.11Å; L280-I322 HydrophobicContact CD1-CD1 4.09Å |
| 281 | F | 88.5 | Confident | 89.4 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -104.3 | -20.1 | -174.4 | -62.7 | -75.3 | 0 | 0 | 0 | 113.7 | K176 Y277 I307 P308 I314 I322 | K176-F281 WeakPolarHBondContact CE-O 3.48Å; K176-F281 PolarHBondContact NZ-O 2.82Å; Y277-F281 HydrophobicContact CD1-CB 3.94Å; Y277-F281 AromaticContact CD1-CD2 3.73Å; Y277-F281 HydrophobicContact CD1-CD2 3.73Å; Y277-F281 HydrophobicContact CD1-CG 4.2Å; Y277-F281 AromaticContact CD2-CD2 3.63Å; Y277-F281 HydrophobicContact CD2-CD2 3.63Å; Y277-F281 AromaticContact CD2-CE2 3.88Å; Y277-F281 HydrophobicContact CD2-CE2 3.88Å; Y277-F281 HydrophobicContact CE1-CB 3.74Å; Y277-F281 AromaticContact CE1-CD2 3.89Å; Y277-F281 HydrophobicContact CE1-CD2 3.89Å; Y277-F281 HydrophobicContact CE1-CG 4.01Å; Y277-F281 AromaticContact CE2-CD2 3.81Å; Y277-F281 HydrophobicContact CE2-CD2 3.81Å; Y277-F281 HydrophobicContact CE2-CE2 4.06Å; Y277-F281 HydrophobicContact CE2-CG 4.43Å; Y277-F281 AromaticContact CG-CD2 3.62Å; Y277-F281 HydrophobicContact CG-CD2 3.62Å; Y277-F281 HydrophobicContact CG-CE2 4.27Å; Y277-F281 AromaticContact CZ-CD2 3.95Å; Y277-F281 WeakPolarHBondContact O-CB 3.28Å; Y277-F281 WeakPolarHBondContact O-CD2 3.16Å; Y277-F281 PolarHBondContact O-N 3.46Å; F281-I307 HydrophobicContact CE1-CG2 4.21Å; F281-I307 HydrophobicContact CE2-CG2 4.42Å; F281-I307 HydrophobicContact CZ-CG2 3.66Å; F281-P308 HydrophobicContact CD1-CG 4.18Å; F281-P308 HydrophobicContact CE1-CG 4.46Å; F281-I314 HydrophobicContact CD1-CD1 3.87Å; F281-I314 HydrophobicContact CE1-CD1 3.34Å; F281-I314 HydrophobicContact CE2-CD1 4.26Å; F281-I314 HydrophobicContact CZ-CD1 3.55Å; F281-I322 HydrophobicContact CE2-CD1 3.99Å |
| 282 | G | 85.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 83.3 | 2.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D175 E278 | D175-G282 WeakPolarHBondContact O-CA 3.42Å; E278-G282 WeakPolarHBondContact O-CA 3.39Å; E278-G282 PolarHBondContact O-N 3.04Å |
| 283 | E | 86.8 | Confident | 87.8 | Confident | 143 Ų | 143 | 43.4 Ų | 43.4 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -143.5 | 151.2 | 174.9 | -63.9 | 179.6 | 165.7 | 0 | 0 | 107.8 | Y277 | Y277-E283 VanDerWaalsContact CD1-O 3.23Å; Y277-E283 WeakPolarHBondContact CD1-O 3.37Å; Y277-E283 WeakPolarHBondContact CE1-O 3.5Å |
| 284 | T | 91 | Very high | 87.3 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | trans | -76.2 | 142.5 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | D246 Y247 V274 E278 F286 Y287 | D246-T284 HydrophobicContact CB-CG2 4.13Å; Y247-T284 HydrophobicContact CE1-CG2 4.19Å; V274-T284 HydrophobicContact CG1-CG2 4.14Å; E278-T284 HydrophobicContact CB-CG2 4.32Å; E278-T284 HydrophobicContact CG-CG2 4.26Å; T284-F286 PolarHBondContact O-N 2.89Å; T284-Y287 WeakPolarHBondContact O-CB 3.12Å; T284-Y287 PolarHBondContact O-N 3.45Å; T284-Y287 VanDerWaalsContact O-N 3.14Å | ||
| 285 | P | 89.9 | Confident | 86.8 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.9 | -167.9 | 22.3 | -32.5 | 0 | 0 | 0 | 116.8 | V274 Y277 F305 I326 | V274-P285 HydrophobicContact CG1-CG 4.44Å; V274-P285 HydrophobicContact CG2-CG 4.35Å; Y277-P285 HydrophobicContact CD1-CB 3.81Å; Y277-P285 VanDerWaalsContact CD1-CD 3.48Å; Y277-P285 HydrophobicContact CD1-CG 4.02Å; Y277-P285 HydrophobicContact CD2-CB 3.88Å; Y277-P285 HydrophobicContact CD2-CG 4.31Å; Y277-P285 HydrophobicContact CE1-CB 3.78Å; Y277-P285 HydrophobicContact CE1-CG 4.47Å; Y277-P285 HydrophobicContact CE2-CB 3.84Å; Y277-P285 HydrophobicContact CG-CB 3.85Å; Y277-P285 HydrophobicContact CG-CG 3.92Å; P285-F305 HydrophobicContact CB-CD2 4Å; P285-F305 HydrophobicContact CB-CE2 4.17Å; P285-I326 HydrophobicContact CB-CD1 4.46Å; P285-I326 HydrophobicContact CG-CD1 3.81Å |
| 286 | F | 92.5 | Very high | 86.3 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 6.8 | -178 | -58 | -65.9 | 0 | 0 | 0 | 113.6 | W270 T284 S288 H297 I298 F301 H304 F305 I326 | W270-F286 AromaticContact CH2-CE2 3.89Å; W270-F286 HydrophobicContact CH2-CE2 3.89Å; W270-F286 AromaticContact CH2-CZ 3.85Å; W270-F286 HydrophobicContact CH2-CZ 3.85Å; W270-F286 HydrophobicContact CZ2-CD2 4.26Å; W270-F286 AromaticContact CZ2-CE2 3.41Å; W270-F286 HydrophobicContact CZ2-CE2 3.41Å; W270-F286 VanDerWaalsContact CZ2-CE2 3.41Å; W270-F286 AromaticContact CZ2-CZ 3.86Å; W270-F286 HydrophobicContact CZ2-CZ 3.86Å; T284-F286 PolarHBondContact O-N 2.89Å; F286-S288 PolarHBondContact O-N 2.72Å; F286-H297 HydrophobicContact CB-CB 3.99Å; F286-H297 HydrophobicContact CD1-CB 4.01Å; F286-H297 HydrophobicContact CG-CB 4.43Å; F286-H297 PolarHBondContact O-ND1 3.31Å; F286-H297 VanDerWaalsContact O-ND1 3.12Å; F286-I298 HydrophobicContact CB-CD1 4.46Å; F286-I298 HydrophobicContact CB-CG1 3.74Å; F286-I298 HydrophobicContact CD2-CG1 3.68Å; F286-I298 HydrophobicContact CE2-CG1 4.46Å; F286-I298 HydrophobicContact CG-CG1 3.71Å; F286-F301 HydrophobicContact CE1-CB 3.69Å; F286-F301 HydrophobicContact CZ-CB 3.67Å; F286-H304 HydrophobicContact CD1-CB 4.48Å; F286-F305 HydrophobicContact CE1-CB 3.76Å; F286-F305 HydrophobicContact CZ-CB 3.89Å; F286-F305 HydrophobicContact CZ-CD2 4.2Å; F286-F305 HydrophobicContact CZ-CG 4.35Å; F286-I326 HydrophobicContact CE2-CG2 3.82Å; F286-I326 HydrophobicContact CZ-CG2 3.6Å |
| 287 | Y | 85.8 | Confident | 86 | Confident | 142 Ų | 142 | 51.9 Ų | 51.9 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | trans | -51.8 | 134.3 | -172.8 | -177.4 | -108.9 | 0 | 0 | 0 | 112.7 | T284 | T284-Y287 WeakPolarHBondContact O-CB 3.12Å; T284-Y287 PolarHBondContact O-N 3.45Å; T284-Y287 VanDerWaalsContact O-N 3.14Å | ||
| 288 | S | 80.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | trans | -141.7 | 154 | 162.2 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | F286 N290 E293 T294 | F286-S288 PolarHBondContact O-N 2.72Å; S288-N290 PolarHBondContact O-N 3.24Å; S288-N290 VanDerWaalsContact O-N 3.12Å; S288-N290 PolarHBondContact OG-N 2.79Å; S288-N290 VanDerWaalsContact OG-N 3.17Å; S288-E293 PolarHBondContact OG-OE2 3.49Å; S288-T294 PolarHBondContact N-OG1 2.91Å; S288-T294 PolarHBondContact O-OG1 2.9Å | ||
| 289 | E | 75.4 | Confident | 85.5 | Confident | 105 Ų | 105 | 52 Ų | 52 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -61.5 | -13.4 | 168.2 | -56.6 | -177.9 | 152.8 | 0 | 0 | 112.5 | W868 V872 | E289-W868 VanDerWaalsContact OE1-CH2 3.29Å; E289-W868 WeakPolarHBondContact OE1-CH2 3.39Å; E289-W868 VanDerWaalsContact OE1-CZ3 3.27Å; E289-W868 WeakPolarHBondContact OE1-CZ3 3.42Å; E289-V872 VanDerWaalsContact OE2-CG1 3.25Å; E289-V872 WeakPolarHBondContact OE2-CG1 3.26Å |
| 290 | N | 76.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -116.2 | 114 | 179.5 | 177 | 7.1 | 0 | 0 | 0 | 111.3 | S288 I292 E293 T294 | S288-N290 PolarHBondContact O-N 3.24Å; S288-N290 VanDerWaalsContact O-N 3.12Å; S288-N290 PolarHBondContact OG-N 2.79Å; S288-N290 VanDerWaalsContact OG-N 3.17Å; N290-I292 PolarHBondContact O-N 3Å; N290-I292 WeakPolarHBondContact OD1-CB 3.43Å; N290-I292 PolarHBondContact OD1-N 2.65Å; N290-E293 HydrophobicContact CB-CB 4.18Å; N290-E293 HydrophobicContact CB-CG 4.14Å; N290-E293 PolarHBondContact ND2-OE1 3.03Å; N290-E293 WeakPolarHBondContact O-CA 3.5Å; N290-E293 WeakPolarHBondContact O-CB 3.39Å; N290-E293 PolarHBondContact O-N 3.38Å; N290-T294 PolarHBondContact O-N 3.46Å; N290-T294 PolarHBondContact O-OG1 2.85Å |
| 291 | L | 77.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 55.6 Ų | 55.6 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -51.1 | -33.7 | 177.1 | -70.1 | 167.5 | 0 | 0 | 0 | 114.2 | P245 E293 T294 Y295 | P245-L291 HydrophobicContact CB-CD2 3.61Å; P245-L291 HydrophobicContact CG-CD2 3.57Å; L291-E293 VanDerWaalsContact C-N 3.33Å; L291-T294 PolarHBondContact O-N 3.05Å; L291-Y295 WeakPolarHBondContact O-CD2 3.12Å; L291-Y295 PolarHBondContact O-N 3.07Å |
| 292 | I | 77.1 | Confident | 85.4 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 67% | 0.672 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.6 | -33.6 | 178.9 | -58.8 | 175.2 | 0 | 0 | 0 | 110.6 | N290 S296 | N290-I292 PolarHBondContact O-N 3Å; N290-I292 WeakPolarHBondContact OD1-CB 3.43Å; N290-I292 PolarHBondContact OD1-N 2.65Å; I292-S296 VanDerWaalsContact O-CB 3.27Å; I292-S296 WeakPolarHBondContact O-CB 3.04Å; I292-S296 PolarHBondContact O-N 2.83Å |
| 293 | E | 81.4 | Confident | 85.5 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.1 | -43.8 | 172.4 | -72.4 | 160 | -143.2 | 0 | 0 | 111 | S288 N290 L291 Y295 S296 H297 | S288-E293 PolarHBondContact OG-OE2 3.49Å; N290-E293 HydrophobicContact CB-CB 4.18Å; N290-E293 HydrophobicContact CB-CG 4.14Å; N290-E293 PolarHBondContact ND2-OE1 3.03Å; N290-E293 WeakPolarHBondContact O-CA 3.5Å; N290-E293 WeakPolarHBondContact O-CB 3.39Å; N290-E293 PolarHBondContact O-N 3.38Å; L291-E293 VanDerWaalsContact C-N 3.33Å; E293-Y295 VanDerWaalsContact C-N 3.33Å; E293-Y295 PolarHBondContact O-N 2.9Å; E293-S296 CarbonylContact O-C 3.55Å; E293-S296 WeakPolarHBondContact O-CA 3.48Å; E293-S296 WeakPolarHBondContact O-CB 3.48Å; E293-S296 PolarHBondContact O-N 2.98Å; E293-H297 WeakPolarHBondContact O-CB 3.26Å; E293-H297 PolarHBondContact O-CD2 3.39Å; E293-H297 PolarHBondContact O-N 3.41Å; E293-H297 PolarHBondContact O-ND1 3.03Å |
| 294 | T | 86.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.4 | -49.6 | 173.6 | -49 | 0 | 0 | 0 | 0 | 111.3 | D246 S288 N290 L291 S296 H297 I298 | D246-T294 WeakPolarHBondContact OD1-CG2 3.43Å; S288-T294 PolarHBondContact N-OG1 2.91Å; S288-T294 PolarHBondContact O-OG1 2.9Å; N290-T294 PolarHBondContact O-N 3.46Å; N290-T294 PolarHBondContact O-OG1 2.85Å; L291-T294 PolarHBondContact O-N 3.05Å; T294-S296 PolarHBondContact O-N 2.87Å; T294-H297 PolarHBondContact O-N 2.9Å; T294-I298 HydrophobicContact CG2-CD1 4.11Å; T294-I298 WeakPolarHBondContact O-CG1 3.23Å; T294-I298 PolarHBondContact O-N 2.91Å |
| 295 | Y | 86.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 174.8 | -65.4 | -40.7 | 0 | 0 | 0 | 113.1 | P245 I248 L253 L291 E293 M299 | P245-Y295 HydrophobicContact CB-CE1 3.87Å; I248-Y295 HydrophobicContact CG2-CD1 4.32Å; I248-Y295 HydrophobicContact CG2-CE1 4.06Å; L253-Y295 HydrophobicContact CD1-CD1 3.98Å; L253-Y295 HydrophobicContact CD2-CD1 3.85Å; L253-Y295 HydrophobicContact CD2-CE1 4.02Å; L253-Y295 HydrophobicContact CD2-CG 4.46Å; L291-Y295 WeakPolarHBondContact O-CD2 3.12Å; L291-Y295 PolarHBondContact O-N 3.07Å; E293-Y295 VanDerWaalsContact C-N 3.33Å; E293-Y295 PolarHBondContact O-N 2.9Å; Y295-M299 WeakPolarHBondContact O-CB 3.49Å; Y295-M299 WeakPolarHBondContact O-CG 3.49Å; Y295-M299 PolarHBondContact O-N 3.29Å |
| 296 | S | 84.9 | Confident | 85.4 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | I292 E293 T294 M299 N300 | I292-S296 VanDerWaalsContact O-CB 3.27Å; I292-S296 WeakPolarHBondContact O-CB 3.04Å; I292-S296 PolarHBondContact O-N 2.83Å; E293-S296 CarbonylContact O-C 3.55Å; E293-S296 WeakPolarHBondContact O-CA 3.48Å; E293-S296 WeakPolarHBondContact O-CB 3.48Å; E293-S296 PolarHBondContact O-N 2.98Å; T294-S296 PolarHBondContact O-N 2.87Å; S296-M299 PolarHBondContact O-N 2.83Å; S296-N300 VanDerWaalsContact O-CB 3.32Å; S296-N300 WeakPolarHBondContact O-CB 3.14Å; S296-N300 PolarHBondContact O-N 2.96Å; S296-N300 PolarHBondContact O-ND2 3.39Å |
| 297 | H | 89.5 | Confident | 85.1 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 176.7 | -62.8 | 162.4 | 0 | 0 | 0 | 110.7 | F286 E293 T294 N300 F301 H304 | F286-H297 HydrophobicContact CB-CB 3.99Å; F286-H297 HydrophobicContact CD1-CB 4.01Å; F286-H297 HydrophobicContact CG-CB 4.43Å; F286-H297 PolarHBondContact O-ND1 3.31Å; F286-H297 VanDerWaalsContact O-ND1 3.12Å; E293-H297 WeakPolarHBondContact O-CB 3.26Å; E293-H297 PolarHBondContact O-CD2 3.39Å; E293-H297 PolarHBondContact O-N 3.41Å; E293-H297 PolarHBondContact O-ND1 3.03Å; T294-H297 PolarHBondContact O-N 2.9Å; H297-N300 CarbonylContact O-C 3.52Å; H297-N300 PolarHBondContact O-N 2.89Å; H297-F301 WeakPolarHBondContact O-CA 3.3Å; H297-F301 PolarHBondContact O-N 3.3Å; H297-H304 HydrophobicContact CB-CB 4.12Å; H297-H304 AromaticContact CD2-CD2 3.39Å; H297-H304 PolarHBondContact CD2-CD2 3.03Å; H297-H304 AromaticContact CD2-CG 3.85Å; H297-H304 AromaticContact CD2-NE2 3.68Å |
| 298 | I | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.4 | -68.3 | 167.6 | 0 | 0 | 0 | 110.8 | P245 I248 P250 L253 W270 F286 T294 N300 F301 | P245-I298 WeakPolarHBondContact O-CD1 3.29Å; I248-I298 HydrophobicContact CG2-CD1 4.17Å; P250-I298 HydrophobicContact CB-CG2 4.38Å; P250-I298 HydrophobicContact CG-CG2 3.85Å; P250-I298 WeakPolarHBondContact CG-O 3.33Å; L253-I298 HydrophobicContact CD1-CB 4.33Å; L253-I298 HydrophobicContact CD1-CG2 3.8Å; W270-I298 HydrophobicContact CZ2-CG2 4.14Å; F286-I298 HydrophobicContact CB-CD1 4.46Å; F286-I298 HydrophobicContact CB-CG1 3.74Å; F286-I298 HydrophobicContact CD2-CG1 3.68Å; F286-I298 HydrophobicContact CE2-CG1 4.46Å; F286-I298 HydrophobicContact CG-CG1 3.71Å; T294-I298 HydrophobicContact CG2-CD1 4.11Å; T294-I298 WeakPolarHBondContact O-CG1 3.23Å; T294-I298 PolarHBondContact O-N 2.91Å; I298-N300 PolarHBondContact O-N 3.26Å; I298-F301 WeakPolarHBondContact O-CB 3.37Å; I298-F301 WeakPolarHBondContact O-CD1 3.44Å; I298-F301 PolarHBondContact O-N 2.99Å |
| 299 | M | 86 | Confident | 84.5 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -31 | 179.2 | -77.7 | -75.9 | -86.5 | 0 | 0 | 113.1 | L253 R254 E257 Y295 S296 | L253-M299 HydrophobicContact CB-CG 4.48Å; L253-M299 HydrophobicContact CB-SD 3.88Å; L253-M299 HydrophobicContact CD1-CG 3.95Å; L253-M299 HydrophobicContact CD1-SD 4.34Å; R254-M299 HydrophobicContact CG-CE 3.66Å; R254-M299 HydrophobicContact CG-SD 3.6Å; R254-M299 PolarHBondContact NH2-O 3.06Å; E257-M299 WeakPolarHBondContact OE2-CE 3.47Å; Y295-M299 WeakPolarHBondContact O-CB 3.49Å; Y295-M299 WeakPolarHBondContact O-CG 3.49Å; Y295-M299 PolarHBondContact O-N 3.29Å; S296-M299 PolarHBondContact O-N 2.83Å |
| 300 | N | 89 | Confident | 84 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 37 | 177.4 | -63.6 | -88.8 | 0 | 0 | 0 | 111.7 | S296 H297 I298 E302 K303 H304 | S296-N300 VanDerWaalsContact O-CB 3.32Å; S296-N300 WeakPolarHBondContact O-CB 3.14Å; S296-N300 PolarHBondContact O-N 2.96Å; S296-N300 PolarHBondContact O-ND2 3.39Å; H297-N300 CarbonylContact O-C 3.52Å; H297-N300 PolarHBondContact O-N 2.89Å; I298-N300 PolarHBondContact O-N 3.26Å; N300-E302 PolarHBondContact O-N 2.75Å; N300-E302 VanDerWaalsContact O-N 3.09Å; N300-K303 PolarHBondContact O-N 3.15Å; N300-H304 PolarHBondContact O-ND1 2.82Å |
| 301 | F | 91 | Very high | 82.9 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.5 | -35.2 | -170.4 | 68.4 | -87 | 0 | 0 | 0 | 113.5 | P250 W270 F286 H297 I298 K303 H304 F305 D328 | P250-F301 HydrophobicContact CG-CD1 3.85Å; P250-F301 HydrophobicContact CG-CE1 4.25Å; W270-F301 HydrophobicContact CH2-CB 3.67Å; W270-F301 HydrophobicContact CH2-CD1 4Å; W270-F301 HydrophobicContact CH2-CD2 4.11Å; W270-F301 AromaticContact CH2-CG 3.65Å; W270-F301 HydrophobicContact CH2-CG 3.65Å; W270-F301 HydrophobicContact CZ3-CD1 4.31Å; W270-F301 HydrophobicContact CZ3-CD2 4.18Å; W270-F301 HydrophobicContact CZ3-CG 4.07Å; F286-F301 HydrophobicContact CE1-CB 3.69Å; F286-F301 HydrophobicContact CZ-CB 3.67Å; H297-F301 WeakPolarHBondContact O-CA 3.3Å; H297-F301 PolarHBondContact O-N 3.3Å; I298-F301 WeakPolarHBondContact O-CB 3.37Å; I298-F301 WeakPolarHBondContact O-CD1 3.44Å; I298-F301 PolarHBondContact O-N 2.99Å; F301-K303 PolarHBondContact O-N 3.1Å; F301-H304 PolarHBondContact O-N 2.81Å; F301-F305 VanDerWaalsContact O-CB 3.27Å; F301-F305 WeakPolarHBondContact O-CB 3.25Å; F301-F305 PolarHBondContact O-N 2.85Å; F301-D328 HydrophobicContact CZ-CB 4.23Å |
| 302 | E | 88.8 | Confident | 82 | Confident | 159 Ų | 159 | 75.8 Ų | 75.8 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.7 | -16.5 | 176.7 | -58.3 | -178.4 | 154.6 | 0 | 0 | 114.5 | N300 | N300-E302 PolarHBondContact O-N 2.75Å; N300-E302 VanDerWaalsContact O-N 3.09Å |
| 303 | K | 88.1 | Confident | 81.8 | Confident | 165 Ų | 165 | 79.5 Ų | 79.5 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -111.3 | -18 | 178.4 | -63.7 | 178.9 | -177.6 | 170.6 | 0 | 114.6 | N300 F301 | N300-K303 PolarHBondContact O-N 3.15Å; F301-K303 PolarHBondContact O-N 3.1Å |
| 304 | H | 87.4 | Confident | 82 | Confident | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -115.2 | -29.2 | -171 | -58.3 | 91.9 | 0 | 0 | 0 | 112.5 | F286 H297 N300 F301 T306 | F286-H304 HydrophobicContact CD1-CB 4.48Å; H297-H304 HydrophobicContact CB-CB 4.12Å; H297-H304 AromaticContact CD2-CD2 3.39Å; H297-H304 PolarHBondContact CD2-CD2 3.03Å; H297-H304 AromaticContact CD2-CG 3.85Å; H297-H304 AromaticContact CD2-NE2 3.68Å; N300-H304 PolarHBondContact O-ND1 2.82Å; F301-H304 PolarHBondContact O-N 2.81Å; H304-T306 PolarHBondContact O-N 3.37Å; H304-T306 VanDerWaalsContact O-N 3.12Å |
| 305 | F | 92.5 | Very high | 82.2 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 17% | 0.171 | 41% | 0.409 | C | S | . | . | trans | -64.9 | 113.9 | 175.9 | 178.4 | -122.1 | 0 | 0 | 0 | 109.9 | Y277 P285 F286 F301 I307 I322 R323 I326 | Y277-F305 AromaticContact CD2-CE2 3.89Å; Y277-F305 HydrophobicContact CD2-CE2 3.89Å; Y277-F305 AromaticContact CE2-CE2 3.84Å; Y277-F305 HydrophobicContact CE2-CE2 3.84Å; P285-F305 HydrophobicContact CB-CD2 4Å; P285-F305 HydrophobicContact CB-CE2 4.17Å; F286-F305 HydrophobicContact CE1-CB 3.76Å; F286-F305 HydrophobicContact CZ-CB 3.89Å; F286-F305 HydrophobicContact CZ-CD2 4.2Å; F286-F305 HydrophobicContact CZ-CG 4.35Å; F301-F305 VanDerWaalsContact O-CB 3.27Å; F301-F305 WeakPolarHBondContact O-CB 3.25Å; F301-F305 PolarHBondContact O-N 2.85Å; F305-I307 HydrophobicContact CE1-CD1 4.5Å; F305-I307 HydrophobicContact CE1-CG1 4.37Å; F305-I307 HydrophobicContact CE2-CG1 4.31Å; F305-I307 HydrophobicContact CZ-CD1 4.02Å; F305-I307 HydrophobicContact CZ-CG1 3.76Å; F305-I322 HydrophobicContact CE2-CG2 4.12Å; F305-I322 HydrophobicContact CZ-CG2 3.71Å; F305-R323 HydrophobicContact CE1-CG 4.29Å; F305-I326 HydrophobicContact CD1-CG2 4.3Å; F305-I326 HydrophobicContact CD2-CD1 4.32Å; F305-I326 HydrophobicContact CD2-CG2 3.93Å; F305-I326 HydrophobicContact CE1-CB 4.36Å; F305-I326 HydrophobicContact CE2-CB 4.31Å; F305-I326 HydrophobicContact CE2-CD1 3.81Å; F305-I326 HydrophobicContact CE2-CG2 4.2Å; F305-I326 HydrophobicContact CG-CG2 4Å; F305-I326 HydrophobicContact CZ-CB 4.24Å; F305-I326 HydrophobicContact CZ-CD1 4.3Å | ||
| 306 | T | 85.4 | Confident | 82.4 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 58% | 0.583 | 42% | 0.421 | S | S | * | . | trans | -136 | 140.9 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | Y277 H304 | Y277-T306 PolarHBondContact OH-O 2.9Å; H304-T306 PolarHBondContact O-N 3.37Å; H304-T306 VanDerWaalsContact O-N 3.12Å | ||
| 307 | I | 86.1 | Confident | 82.8 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | trans | -98.1 | 120.7 | 172.3 | -62.5 | -179.5 | 0 | 0 | 0 | 106.8 | Y277 F281 F305 T309 C319 R323 | Y277-I307 HydrophobicContact CE2-CG1 4.43Å; F281-I307 HydrophobicContact CE1-CG2 4.21Å; F281-I307 HydrophobicContact CE2-CG2 4.42Å; F281-I307 HydrophobicContact CZ-CG2 3.66Å; F305-I307 HydrophobicContact CE1-CD1 4.5Å; F305-I307 HydrophobicContact CE1-CG1 4.37Å; F305-I307 HydrophobicContact CE2-CG1 4.31Å; F305-I307 HydrophobicContact CZ-CD1 4.02Å; F305-I307 HydrophobicContact CZ-CG1 3.76Å; I307-T309 PolarHBondContact O-N 3.3Å; I307-C319 HydrophobicContact CD1-CB 3.95Å; I307-R323 HydrophobicContact CD1-CG 4.03Å | ||
| 308 | P | 81.2 | Confident | 83 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | trans | -60.6 | 118.5 | -177.7 | -26.5 | 35.5 | 0 | 0 | 0 | 112.8 | F281 D310 C311 | F281-P308 HydrophobicContact CD1-CG 4.18Å; F281-P308 HydrophobicContact CE1-CG 4.46Å; P308-D310 VanDerWaalsContact C-N 3.27Å; P308-D310 PolarHBondContact O-N 3.08Å; P308-C311 HydrophobicContact CB-CB 4.21Å | ||
| 309 | T | 72.9 | Confident | 83.1 | Confident | 132 Ų | 132 | 78.2 Ų | 78.2 | 81% | 0.81 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.1 | 176.8 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | I307 | I307-T309 PolarHBondContact O-N 3.3Š|
| 310 | D | 64.9 | Low | 83.5 | Confident | 149 Ų | 149 | 78.6 Ų | 78.6 | 80% | 0.797 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.4 | -163.9 | -65.1 | 18 | 0 | 0 | 0 | 112.5 | P308 | P308-D310 VanDerWaalsContact C-N 3.27Å; P308-D310 PolarHBondContact O-N 3.08Å |
| 311 | C | 53.4 | Low | 83.9 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -130.2 | 116.5 | -169.1 | -79 | 0 | 0 | 0 | 0 | 114.1 | P308 | P308-C311 HydrophobicContact CB-CB 4.21Š|
| 312 | V | 60.4 | Low | 84.1 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 66% | 0.655 | 39% | 0.393 | S | S | * | . | trans | 69.5 | 153.5 | 165.1 | -168.8 | 0 | 0 | 0 | 0 | 114.9 | I314 | V312-I314 VanDerWaalsContact C-N 3.25Å; V312-I314 HydrophobicContact CB-CD1 4.31Å; V312-I314 HydrophobicContact CB-CG1 4.33Å; V312-I314 HydrophobicContact CG1-CG1 4.14Å; V312-I314 PolarHBondContact O-N 3.39Å; V312-I314 VanDerWaalsContact O-N 3.14Å | ||
| 313 | K | 71.6 | Confident | 84.4 | Confident | 209 Ų | 209 | 71.2 Ų | 71.2 | 91% | 0.909 | 37% | 0.373 | S | S | * | . | trans | -84.6 | 58.4 | 176.8 | -61.9 | -177.2 | -178.3 | 179.5 | 0 | 111.7 | ||||
| 314 | I | 85.4 | Confident | 84.7 | Confident | 31 Ų | 31 | 66 Ų | 66 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | trans | -77.1 | 142.2 | 172.8 | -65.4 | 159.9 | 0 | 0 | 0 | 108.4 | E179 L280 F281 V312 A318 | E179-I314 WeakPolarHBondContact OE2-CA 3.36Å; L280-I314 HydrophobicContact CB-CD1 4.03Å; L280-I314 HydrophobicContact CD1-CG2 4.42Å; F281-I314 HydrophobicContact CD1-CD1 3.87Å; F281-I314 HydrophobicContact CE1-CD1 3.34Å; F281-I314 HydrophobicContact CE2-CD1 4.26Å; F281-I314 HydrophobicContact CZ-CD1 3.55Å; V312-I314 VanDerWaalsContact C-N 3.25Å; V312-I314 HydrophobicContact CB-CD1 4.31Å; V312-I314 HydrophobicContact CB-CG1 4.33Å; V312-I314 HydrophobicContact CG1-CG1 4.14Å; V312-I314 PolarHBondContact O-N 3.39Å; V312-I314 VanDerWaalsContact O-N 3.14Å; I314-A318 HydrophobicContact CG2-CB 3.72Å | ||
| 315 | S | 90.2 | Very high | 85.2 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | trans | -71 | 147.9 | -180 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | E179 S317 A318 C319 | E179-S315 WeakPolarHBondContact OE1-CB 3.41Å; E179-S315 PolarHBondContact OE1-OG 3.38Å; E179-S315 PolarHBondContact OE2-N 3.13Å; S315-S317 WeakPolarHBondContact CB-OG 3.42Å; S315-S317 PolarHBondContact O-N 3.23Å; S315-S317 PolarHBondContact OG-OG 3.19Å; S315-A318 WeakPolarHBondContact O-CB 3.25Å; S315-A318 PolarHBondContact O-N 2.93Å; S315-A318 PolarHBondContact OG-N 2.8Å; S315-C319 PolarHBondContact O-N 2.8Å; S315-C319 VanDerWaalsContact O-N 3.1Å | ||
| 316 | E | 91.5 | Very high | 85.3 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -29.6 | 174.5 | -173.6 | 55.8 | -154.7 | 0 | 0 | 111.5 | C319 D320 R323 | E316-C319 PolarHBondContact O-N 3.23Å; E316-D320 VanDerWaalsContact O-CB 3.24Å; E316-D320 WeakPolarHBondContact O-CB 3.44Å; E316-D320 PolarHBondContact O-N 2.7Å; E316-R323 IonicContact OE1-CZ 3.8Å; E316-R323 IonicContact OE1-NH1 2.66Å; E316-R323 PolarHBondContact OE1-NH1 2.96Å; E316-R323 IonicContact OE1-NH2 3.03Å; E316-R323 PolarHBondContact OE1-NH2 3.11Å; E316-R323 IonicContact OE2-NH2 3.61Å |
| 317 | S | 93.3 | Very high | 85.7 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 170.8 | 28.7 | 0 | 0 | 0 | 0 | 113.8 | S315 L321 H344 | S315-S317 WeakPolarHBondContact CB-OG 3.42Å; S315-S317 PolarHBondContact O-N 3.23Å; S315-S317 PolarHBondContact OG-OG 3.19Å; S317-L321 PolarHBondContact O-N 3.46Å; S317-L321 VanDerWaalsContact O-N 3.07Å; S317-H344 PolarHBondContact O-CE1 3.42Å; S317-H344 VanDerWaalsContact O-CE1 3.3Å |
| 318 | A | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E179 M276 L280 I314 S315 D320 L321 I322 F346 | E179-A318 HydrophobicContact CG-CB 4.37Å; M276-A318 HydrophobicContact CE-CB 3.96Å; L280-A318 HydrophobicContact CD1-CB 4.11Å; I314-A318 HydrophobicContact CG2-CB 3.72Å; S315-A318 WeakPolarHBondContact O-CB 3.25Å; S315-A318 PolarHBondContact O-N 2.93Å; S315-A318 PolarHBondContact OG-N 2.8Å; A318-D320 VanDerWaalsContact C-N 3.29Å; A318-D320 PolarHBondContact O-N 3.39Å; A318-L321 PolarHBondContact O-N 2.91Å; A318-I322 WeakPolarHBondContact O-CG1 3.35Å; A318-I322 PolarHBondContact O-N 2.8Å; A318-F346 HydrophobicContact CB-CD2 3.69Å; A318-F346 HydrophobicContact CB-CE2 3.61Å |
| 319 | C | 93.2 | Very high | 86.4 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 174.9 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | I307 S315 E316 I322 R323 | I307-C319 HydrophobicContact CD1-CB 3.95Å; S315-C319 PolarHBondContact O-N 2.8Å; S315-C319 VanDerWaalsContact O-N 3.1Å; E316-C319 PolarHBondContact O-N 3.23Å; C319-I322 PolarHBondContact O-N 2.57Å; C319-R323 WeakPolarHBondContact O-CG 3.3Å; C319-R323 PolarHBondContact O-N 2.8Å; C319-R323 VanDerWaalsContact O-N 3.13Å |
| 320 | D | 93.9 | Very high | 87.2 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.6 | -36.2 | -178.8 | -159.8 | 60.8 | 0 | 0 | 0 | 113.3 | E316 A318 I322 R323 H324 H344 | E316-D320 VanDerWaalsContact O-CB 3.24Å; E316-D320 WeakPolarHBondContact O-CB 3.44Å; E316-D320 PolarHBondContact O-N 2.7Å; A318-D320 VanDerWaalsContact C-N 3.29Å; A318-D320 PolarHBondContact O-N 3.39Å; D320-I322 VanDerWaalsContact C-N 3.32Å; D320-I322 PolarHBondContact O-N 3.16Å; D320-R323 WeakPolarHBondContact O-CB 3.17Å; D320-R323 PolarHBondContact O-N 3.12Å; D320-R323 IonicContact OD1-NH1 3.78Å; D320-R323 PolarHBondContact OD1-NH1 3.02Å; D320-H324 PolarHBondContact O-N 2.92Å; D320-H324 VanDerWaalsContact O-N 3.09Å; D320-H324 PolarHBondContact O-ND1 2.9Å; D320-H324 IonicContact OD1-CE1 2.7Å; D320-H324 IonicContact OD2-CE1 3.03Å; D320-H324 PolarHBondContact OD2-CE1 3.34Å; D320-H324 IonicContact OD2-ND1 3.72Å; D320-H324 PolarHBondContact OD2-ND1 3.2Å; D320-H344 IonicContact OD2-NE2 3.86Å; D320-H344 PolarHBondContact OD2-NE2 3.46Å |
| 321 | L | 96.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 171.8 | -178.7 | 56.1 | 0 | 0 | 0 | 110.9 | M276 S317 A318 R323 H324 L325 L341 H344 F346 F347 | M276-L321 HydrophobicContact CE-CB 4.24Å; M276-L321 HydrophobicContact CE-CD2 4.01Å; M276-L321 HydrophobicContact CE-CG 4.43Å; M276-L321 HydrophobicContact SD-CB 4.37Å; M276-L321 HydrophobicContact SD-CD2 3.7Å; M276-L321 HydrophobicContact SD-CG 4.01Å; S317-L321 PolarHBondContact O-N 3.46Å; S317-L321 VanDerWaalsContact O-N 3.07Å; A318-L321 PolarHBondContact O-N 2.91Å; L321-R323 VanDerWaalsContact C-N 3.29Å; L321-R323 PolarHBondContact O-N 3.42Å; L321-H324 PolarHBondContact O-N 3.26Å; L321-L325 HydrophobicContact CD1-CD1 4.22Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.98Å; L321-L325 HydrophobicContact CG-CG 4.44Å; L321-L325 WeakPolarHBondContact O-CG 3.39Å; L321-L325 PolarHBondContact O-N 2.84Å; L321-L341 HydrophobicContact CD1-CD2 4.02Å; L321-H344 HydrophobicContact CD1-CB 4.37Å; L321-H344 PolarHBondContact N-CE1 2.94Å; L321-F346 HydrophobicContact CB-CB 4.31Å; L321-F346 HydrophobicContact CD2-CB 4.07Å; L321-F346 HydrophobicContact CD2-CD1 3.44Å; L321-F346 VanDerWaalsContact CD2-CD1 3.44Å; L321-F346 HydrophobicContact CD2-CE1 4.18Å; L321-F346 HydrophobicContact CD2-CG 4Å; L321-F347 HydrophobicContact CD1-CE2 4.27Å; L321-F347 HydrophobicContact CD2-CD2 4.38Å; L321-F347 HydrophobicContact CD2-CE1 4.41Å; L321-F347 HydrophobicContact CD2-CE2 3.43Å; L321-F347 VanDerWaalsContact CD2-CE2 3.43Å; L321-F347 HydrophobicContact CD2-CZ 3.46Å; L321-F347 VanDerWaalsContact CD2-CZ 3.46Å |
| 322 | I | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 177.3 | -61 | 167.7 | 0 | 0 | 0 | 110.7 | M276 Y277 L280 F281 F305 A318 C319 D320 H324 L325 I326 | M276-I322 HydrophobicContact CB-CG1 4.47Å; M276-I322 HydrophobicContact CE-CD1 4.37Å; M276-I322 HydrophobicContact CE-CG1 4Å; M276-I322 HydrophobicContact CG-CD1 4.24Å; M276-I322 HydrophobicContact CG-CG1 3.94Å; M276-I322 HydrophobicContact SD-CG1 3.78Å; Y277-I322 HydrophobicContact CD2-CD1 4.5Å; Y277-I322 HydrophobicContact CD2-CG2 4.11Å; L280-I322 HydrophobicContact CD1-CD1 4.09Å; F281-I322 HydrophobicContact CE2-CD1 3.99Å; F305-I322 HydrophobicContact CE2-CG2 4.12Å; F305-I322 HydrophobicContact CZ-CG2 3.71Å; A318-I322 WeakPolarHBondContact O-CG1 3.35Å; A318-I322 PolarHBondContact O-N 2.8Å; C319-I322 PolarHBondContact O-N 2.57Å; D320-I322 VanDerWaalsContact C-N 3.32Å; D320-I322 PolarHBondContact O-N 3.16Å; I322-H324 VanDerWaalsContact C-N 3.29Å; I322-H324 PolarHBondContact O-N 2.87Å; I322-L325 PolarHBondContact O-N 3.09Å; I322-I326 HydrophobicContact CG2-CD1 3.62Å; I322-I326 HydrophobicContact CG2-CG1 3.96Å; I322-I326 WeakPolarHBondContact O-CB 3.2Å; I322-I326 PolarHBondContact O-N 3.33Å |
| 323 | R | 95 | Very high | 92.1 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 33% | 0.328 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -33.3 | 174.6 | -66.7 | 171.6 | -153.5 | 131.5 | -1.6 | 112.9 | F305 I307 E316 C319 D320 L321 C327 | F305-R323 HydrophobicContact CE1-CG 4.29Å; I307-R323 HydrophobicContact CD1-CG 4.03Å; E316-R323 IonicContact OE1-CZ 3.8Å; E316-R323 IonicContact OE1-NH1 2.66Å; E316-R323 PolarHBondContact OE1-NH1 2.96Å; E316-R323 IonicContact OE1-NH2 3.03Å; E316-R323 PolarHBondContact OE1-NH2 3.11Å; E316-R323 IonicContact OE2-NH2 3.61Å; C319-R323 WeakPolarHBondContact O-CG 3.3Å; C319-R323 PolarHBondContact O-N 2.8Å; C319-R323 VanDerWaalsContact O-N 3.13Å; D320-R323 WeakPolarHBondContact O-CB 3.17Å; D320-R323 PolarHBondContact O-N 3.12Å; D320-R323 IonicContact OD1-NH1 3.78Å; D320-R323 PolarHBondContact OD1-NH1 3.02Å; L321-R323 VanDerWaalsContact C-N 3.29Å; L321-R323 PolarHBondContact O-N 3.42Å; R323-C327 WeakPolarHBondContact O-CB 3.21Å |
| 324 | H | 95.6 | Very high | 93 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -79 | -21.1 | 176.9 | -72.1 | 98.8 | 0 | 0 | 0 | 113.5 | D320 L321 I322 C327 R332 F333 | D320-H324 PolarHBondContact O-N 2.92Å; D320-H324 VanDerWaalsContact O-N 3.09Å; D320-H324 PolarHBondContact O-ND1 2.9Å; D320-H324 IonicContact OD1-CE1 2.7Å; D320-H324 IonicContact OD2-CE1 3.03Å; D320-H324 PolarHBondContact OD2-CE1 3.34Å; D320-H324 IonicContact OD2-ND1 3.72Å; D320-H324 PolarHBondContact OD2-ND1 3.2Å; L321-H324 PolarHBondContact O-N 3.26Å; I322-H324 VanDerWaalsContact C-N 3.29Å; I322-H324 PolarHBondContact O-N 2.87Å; H324-C327 PolarHBondContact O-SG 3.2Å; H324-C327 VanDerWaalsContact O-SG 3.34Å; H324-R332 WeakPolarHBondContact O-CA 3.47Å; H324-F333 HydrophobicContact CB-CB 4.44Å; H324-F333 HydrophobicContact CB-CD1 3.88Å; H324-F333 HydrophobicContact CB-CD2 4.08Å; H324-F333 HydrophobicContact CB-CE1 4.11Å; H324-F333 HydrophobicContact CB-CE2 4.31Å; H324-F333 HydrophobicContact CB-CG 3.86Å; H324-F333 HydrophobicContact CB-CZ 4.32Å; H324-F333 AromaticContact CD2-CD1 3.87Å; H324-F333 AromaticContact CD2-CE1 3.3Å; H324-F333 WeakPolarHBondContact CD2-CE1 3.45Å; H324-F333 AromaticContact CD2-CZ 3.59Å; H324-F333 AromaticContact CG-CE1 3.84Å; H324-F333 AromaticContact CG-CZ 3.88Å; H324-F333 PolarHBondContact O-N 3.27Å |
| 325 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -88.2 | -46.6 | 172.9 | -64.1 | 172.1 | 0 | 0 | 0 | 112.4 | L272 L321 I322 C327 R332 L341 | L272-L325 HydrophobicContact CD2-CD1 4.38Å; L272-L325 HydrophobicContact CD2-CD2 4.5Å; L272-L325 HydrophobicContact CG-CD1 4.4Å; L321-L325 HydrophobicContact CD1-CD1 4.22Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.98Å; L321-L325 HydrophobicContact CG-CG 4.44Å; L321-L325 WeakPolarHBondContact O-CG 3.39Å; L321-L325 PolarHBondContact O-N 2.84Å; I322-L325 PolarHBondContact O-N 3.09Å; L325-C327 VanDerWaalsContact C-N 3.31Å; L325-C327 PolarHBondContact O-N 2.85Å; L325-C327 VanDerWaalsContact O-N 3.14Å; L325-R332 WeakPolarHBondContact O-CD 3.49Å; L325-R332 VanDerWaalsContact O-CG 3.24Å; L325-R332 WeakPolarHBondContact O-CG 3.39Å; L325-R332 PolarHBondContact O-NE 2.75Å; L325-L341 HydrophobicContact CD2-CD2 3.81Å |
| 326 | I | 96 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -90.8 | 63.8 | -179.9 | -49.6 | -172.9 | 0 | 0 | 0 | 109.9 | W270 V274 P285 F286 F305 I322 | W270-I326 HydrophobicContact CE3-CG2 4.19Å; W270-I326 HydrophobicContact CH2-CG2 3.53Å; W270-I326 HydrophobicContact CZ2-CG2 4.07Å; W270-I326 HydrophobicContact CZ3-CB 4.29Å; W270-I326 HydrophobicContact CZ3-CG2 3.6Å; V274-I326 HydrophobicContact CG2-CD1 4.43Å; P285-I326 HydrophobicContact CB-CD1 4.46Å; P285-I326 HydrophobicContact CG-CD1 3.81Å; F286-I326 HydrophobicContact CE2-CG2 3.82Å; F286-I326 HydrophobicContact CZ-CG2 3.6Å; F305-I326 HydrophobicContact CD1-CG2 4.3Å; F305-I326 HydrophobicContact CD2-CD1 4.32Å; F305-I326 HydrophobicContact CD2-CG2 3.93Å; F305-I326 HydrophobicContact CE1-CB 4.36Å; F305-I326 HydrophobicContact CE2-CB 4.31Å; F305-I326 HydrophobicContact CE2-CD1 3.81Å; F305-I326 HydrophobicContact CE2-CG2 4.2Å; F305-I326 HydrophobicContact CG-CG2 4Å; F305-I326 HydrophobicContact CZ-CB 4.24Å; F305-I326 HydrophobicContact CZ-CD1 4.3Å; I322-I326 HydrophobicContact CG2-CD1 3.62Å; I322-I326 HydrophobicContact CG2-CG1 3.96Å; I322-I326 WeakPolarHBondContact O-CB 3.2Å; I322-I326 PolarHBondContact O-N 3.33Å |
| 327 | C | 93.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -138.9 | -179.5 | 175.9 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | R323 H324 L325 R329 R332 | R323-C327 WeakPolarHBondContact O-CB 3.21Å; H324-C327 PolarHBondContact O-SG 3.2Å; H324-C327 VanDerWaalsContact O-SG 3.34Å; L325-C327 VanDerWaalsContact C-N 3.31Å; L325-C327 PolarHBondContact O-N 2.85Å; L325-C327 VanDerWaalsContact O-N 3.14Å; C327-R329 PolarHBondContact O-N 3.21Å; C327-R332 PolarHBondContact O-NE 3.41Å; C327-R332 PolarHBondContact O-NH2 3Å; C327-R332 VanDerWaalsContact SG-CA 3.56Å |
| 328 | D | 92 | Very high | 92.6 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | trans | -56.7 | 130.4 | 172.4 | 176.4 | -100.6 | 0 | 0 | 0 | 110.5 | F301 K330 R331 R332 | F301-D328 HydrophobicContact CZ-CB 4.23Å; D328-K330 PolarHBondContact O-N 2.85Å; D328-K330 WeakPolarHBondContact OD1-CB 3.37Å; D328-K330 VanDerWaalsContact OD1-CG 3.29Å; D328-K330 WeakPolarHBondContact OD1-CG 3.22Å; D328-K330 PolarHBondContact OD1-N 3.26Å; D328-R331 PolarHBondContact O-N 3.48Å; D328-R332 PolarHBondContact O-N 2.98Å | ||
| 329 | R | 90.2 | Very high | 92.5 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -24.7 | -176.4 | 66.1 | 179.8 | -69.6 | -154.5 | -5.9 | 115.3 | T262 E266 C327 R331 R335 | T262-R329 VanDerWaalsContact O-CZ 3.23Å; T262-R329 PolarHBondContact O-NH1 3.15Å; T262-R329 PolarHBondContact O-NH2 2.76Å; E266-R329 HydrophobicContact CG-CB 3.87Å; E266-R329 IonicContact OE1-CZ 3.52Å; E266-R329 IonicContact OE1-NE 3.66Å; E266-R329 PolarHBondContact OE1-NE 3.3Å; E266-R329 IonicContact OE1-NH2 3.67Å; E266-R329 PolarHBondContact OE1-NH2 3.09Å; C327-R329 PolarHBondContact O-N 3.21Å; R329-R331 VanDerWaalsContact C-N 3.33Å; R329-R335 WeakPolarHBondContact O-CD 3.48Å |
| 330 | K | 88.8 | Confident | 92.4 | Very high | 152 Ų | 152 | 56.3 Ų | 56.3 | 66% | 0.661 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -27.6 | 179.4 | -62.3 | 172.4 | -176.5 | 171.8 | 0 | 112.8 | D328 R335 | D328-K330 PolarHBondContact O-N 2.85Å; D328-K330 WeakPolarHBondContact OD1-CB 3.37Å; D328-K330 VanDerWaalsContact OD1-CG 3.29Å; D328-K330 WeakPolarHBondContact OD1-CG 3.22Å; D328-K330 PolarHBondContact OD1-N 3.26Å; K330-R335 PolarHBondContact O-NH1 3.24Å |
| 331 | R | 91.9 | Very high | 92.4 | Very high | 210 Ų | 210 | 54 Ų | 54 | 79% | 0.792 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.9 | -175.8 | -61.8 | -177.2 | 178.3 | -179.7 | -0.7 | 113.8 | D328 R329 | D328-R331 PolarHBondContact O-N 3.48Å; R329-R331 VanDerWaalsContact C-N 3.33Å |
| 332 | R | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | trans | -67.7 | 130.2 | -173.9 | -163.1 | -179.8 | -59.2 | 145.8 | 0.5 | 111.6 | E251 E266 H324 L325 C327 D328 R335 | E251-R332 IonicContact OE1-CZ 2.7Å; E251-R332 IonicContact OE1-NH1 2.71Å; E251-R332 PolarHBondContact OE1-NH1 2.92Å; E251-R332 IonicContact OE1-NH2 3Å; E251-R332 IonicContact OE2-CZ 2.73Å; E251-R332 IonicContact OE2-NH1 3.16Å; E251-R332 PolarHBondContact OE2-NH1 2.9Å; E251-R332 IonicContact OE2-NH2 3.47Å; E251-R332 PolarHBondContact OE2-NH2 2.89Å; E266-R332 VanDerWaalsContact O-CD 3.24Å; E266-R332 WeakPolarHBondContact O-CD 3.38Å; E266-R332 PolarHBondContact O-NH1 3.49Å; H324-R332 WeakPolarHBondContact O-CA 3.47Å; L325-R332 WeakPolarHBondContact O-CD 3.49Å; L325-R332 VanDerWaalsContact O-CG 3.24Å; L325-R332 WeakPolarHBondContact O-CG 3.39Å; L325-R332 PolarHBondContact O-NE 2.75Å; C327-R332 PolarHBondContact O-NE 3.41Å; C327-R332 PolarHBondContact O-NH2 3Å; C327-R332 VanDerWaalsContact SG-CA 3.56Å; D328-R332 PolarHBondContact O-N 2.98Å; R332-R335 WeakPolarHBondContact O-CB 3.37Å; R332-R335 PolarHBondContact O-N 3.15Å | ||
| 333 | F | 93.8 | Very high | 92 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 20% | 0.197 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 150.3 | 179.8 | -80.7 | 23.4 | 0 | 0 | 0 | 111.6 | H324 R335 E340 L341 H344 | H324-F333 HydrophobicContact CB-CB 4.44Å; H324-F333 HydrophobicContact CB-CD1 3.88Å; H324-F333 HydrophobicContact CB-CD2 4.08Å; H324-F333 HydrophobicContact CB-CE1 4.11Å; H324-F333 HydrophobicContact CB-CE2 4.31Å; H324-F333 HydrophobicContact CB-CG 3.86Å; H324-F333 HydrophobicContact CB-CZ 4.32Å; H324-F333 AromaticContact CD2-CD1 3.87Å; H324-F333 AromaticContact CD2-CE1 3.3Å; H324-F333 WeakPolarHBondContact CD2-CE1 3.45Å; H324-F333 AromaticContact CD2-CZ 3.59Å; H324-F333 AromaticContact CG-CE1 3.84Å; H324-F333 AromaticContact CG-CZ 3.88Å; H324-F333 PolarHBondContact O-N 3.27Å; F333-R335 PolarHBondContact O-N 2.87Å; F333-E340 HydrophobicContact CB-CB 4.23Å; F333-E340 HydrophobicContact CD2-CB 4.07Å; F333-E340 WeakPolarHBondContact CD2-O 3.18Å; F333-E340 WeakPolarHBondContact CE2-O 3.37Å; F333-E340 HydrophobicContact CG-CB 4.07Å; F333-L341 HydrophobicContact CB-CD2 3.61Å; F333-L341 HydrophobicContact CB-CG 4.23Å; F333-L341 HydrophobicContact CD2-CD2 4.37Å; F333-H344 AromaticContact CE2-CD2 3.93Å |
| 334 | G | 89.9 | Confident | 92.1 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | 86.2 | -11.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y269 G337 E340 | Y269-G334 WeakPolarHBondContact CE2-O 3.34Å; G334-G337 WeakPolarHBondContact CA-O 3.44Å; G334-G337 PolarHBondContact O-N 2.86Å; G334-E340 PolarHBondContact N-OE2 3.18Å |
| 335 | R | 88 | Confident | 92 | Very high | 105 Ų | 105 | 57 Ų | 57 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -34.5 | 177.1 | 177.7 | 166.5 | 173.7 | -98.8 | -17.4 | 112.6 | E266 R329 K330 R332 F333 E340 | E266-R335 HydrophobicContact CB-CB 3.96Å; E266-R335 HydrophobicContact CB-CG 4.18Å; R329-R335 WeakPolarHBondContact O-CD 3.48Å; K330-R335 PolarHBondContact O-NH1 3.24Å; R332-R335 WeakPolarHBondContact O-CB 3.37Å; R332-R335 PolarHBondContact O-N 3.15Å; F333-R335 PolarHBondContact O-N 2.87Å; R335-E340 PolarHBondContact N-OE2 3.49Å |
| 336 | N | 85.6 | Confident | 92 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.4 | -179.4 | -50.8 | -57.4 | 0 | 0 | 0 | 112.5 | E340 | N336-E340 WeakPolarHBondContact CB-OE1 3.04Å; N336-E340 PolarHBondContact N-OE2 2.84Å; N336-E340 PolarHBondContact ND2-OE1 2.95Å |
| 337 | G | 86.7 | Confident | 92 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | 126.9 | 162.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G334 D339 | G334-G337 WeakPolarHBondContact CA-O 3.44Å; G334-G337 PolarHBondContact O-N 2.86Å; G337-D339 PolarHBondContact O-N 2.8Å |
| 338 | I | 91.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.8 | -177.8 | -170.3 | 169.3 | 0 | 0 | 0 | 113.7 | V190 L191 D194 E340 L341 K342 | V190-I338 HydrophobicContact CG1-CD1 3.58Å; V190-I338 HydrophobicContact CG1-CG1 3.67Å; L191-I338 HydrophobicContact CD2-CD1 4.02Å; D194-I338 HydrophobicContact CB-CD1 3.66Å; D194-I338 HydrophobicContact CB-CG1 4.48Å; I338-E340 VanDerWaalsContact C-N 3.28Å; I338-E340 PolarHBondContact O-N 2.8Å; I338-L341 WeakPolarHBondContact O-CA 3.16Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.82Å; I338-K342 HydrophobicContact CG1-CD 4.4Å; I338-K342 HydrophobicContact CG1-CG 4.11Å; I338-K342 PolarHBondContact O-N 3.11Å |
| 339 | D | 91.5 | Very high | 91.6 | Very high | 117 Ų | 117 | 63.9 Ų | 63.9 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.3 | -26.7 | -173.1 | -56.8 | -47.3 | 0 | 0 | 0 | 113.6 | G337 L341 K342 G343 | G337-D339 PolarHBondContact O-N 2.8Å; D339-L341 PolarHBondContact O-N 3.14Å; D339-K342 PolarHBondContact O-N 3.1Å; D339-G343 PolarHBondContact O-N 3.47Å |
| 340 | E | 92.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -35.3 | 169.8 | -62.3 | -178 | 136.4 | 0 | 0 | 111.6 | F333 G334 R335 N336 I338 | F333-E340 HydrophobicContact CB-CB 4.23Å; F333-E340 HydrophobicContact CD2-CB 4.07Å; F333-E340 WeakPolarHBondContact CD2-O 3.18Å; F333-E340 WeakPolarHBondContact CE2-O 3.37Å; F333-E340 HydrophobicContact CG-CB 4.07Å; G334-E340 PolarHBondContact N-OE2 3.18Å; R335-E340 PolarHBondContact N-OE2 3.49Å; N336-E340 WeakPolarHBondContact CB-OE1 3.04Å; N336-E340 PolarHBondContact N-OE2 2.84Å; N336-E340 PolarHBondContact ND2-OE1 2.95Å; I338-E340 VanDerWaalsContact C-N 3.28Å; I338-E340 PolarHBondContact O-N 2.8Å |
| 341 | L | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -82 | -47.5 | 177.3 | -61.5 | 166.8 | 0 | 0 | 0 | 110.4 | V190 Y269 L321 L325 F333 I338 D339 G343 H344 F347 | V190-L341 HydrophobicContact CG1-CB 4.37Å; V190-L341 HydrophobicContact CG1-CD1 4.1Å; V190-L341 HydrophobicContact CG2-CD1 4.16Å; Y269-L341 HydrophobicContact CD1-CD1 3.62Å; Y269-L341 HydrophobicContact CE1-CD1 3.42Å; Y269-L341 VanDerWaalsContact CE1-CD1 3.42Å; Y269-L341 HydrophobicContact CG-CD1 4.48Å; L321-L341 HydrophobicContact CD1-CD2 4.02Å; L325-L341 HydrophobicContact CD2-CD2 3.81Å; F333-L341 HydrophobicContact CB-CD2 3.61Å; F333-L341 HydrophobicContact CB-CG 4.23Å; F333-L341 HydrophobicContact CD2-CD2 4.37Å; I338-L341 WeakPolarHBondContact O-CA 3.16Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.82Å; D339-L341 PolarHBondContact O-N 3.14Å; L341-G343 PolarHBondContact O-N 2.85Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.39Å; L341-F347 WeakPolarHBondContact O-CD2 3.02Å; L341-F347 WeakPolarHBondContact O-CE2 3.4Å |
| 342 | K | 92.8 | Very high | 92 | Very high | 67 Ų | 67 | 50 Ų | 50 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.8 | -34.8 | -179.1 | -65.4 | -173.1 | 176.3 | 177 | 0 | 113.4 | I338 D339 H344 W352 | I338-K342 HydrophobicContact CG1-CD 4.4Å; I338-K342 HydrophobicContact CG1-CG 4.11Å; I338-K342 PolarHBondContact O-N 3.11Å; D339-K342 PolarHBondContact O-N 3.1Å; K342-H344 VanDerWaalsContact C-N 3.33Å; K342-W352 HydrophobicContact CB-CD2 4.44Å; K342-W352 HydrophobicContact CB-CZ2 4.22Å; K342-W352 HydrophobicContact CD-CB 4.39Å; K342-W352 HydrophobicContact CD-CD2 4.1Å; K342-W352 HydrophobicContact CD-CG 4.03Å; K342-W352 HydrophobicContact CG-CD2 3.78Å; K342-W352 HydrophobicContact CG-CE3 4.18Å; K342-W352 HydrophobicContact CG-CG 4.15Å; K342-W352 HydrophobicContact CG-CH2 4.36Å; K342-W352 HydrophobicContact CG-CZ2 3.98Å; K342-W352 HydrophobicContact CG-CZ3 4.45Å |
| 343 | G | 91.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 58 Ų | 58 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D339 L341 | D339-G343 PolarHBondContact O-N 3.47Å; L341-G343 PolarHBondContact O-N 2.85Å |
| 344 | H | 96.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -75 | 138.5 | -177.2 | -169.4 | -92.3 | 0 | 0 | 0 | 112.2 | S317 D320 L321 F333 L341 K342 F346 F347 | S317-H344 PolarHBondContact O-CE1 3.42Å; S317-H344 VanDerWaalsContact O-CE1 3.3Å; D320-H344 IonicContact OD2-NE2 3.86Å; D320-H344 PolarHBondContact OD2-NE2 3.46Å; L321-H344 HydrophobicContact CD1-CB 4.37Å; L321-H344 PolarHBondContact N-CE1 2.94Å; F333-H344 AromaticContact CE2-CD2 3.93Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.39Å; K342-H344 VanDerWaalsContact C-N 3.33Å; H344-F346 PolarHBondContact ND1-N 2.83Å; H344-F346 PolarHBondContact O-N 3.31Å; H344-F347 HydrophobicContact CB-CD2 4.16Å; H344-F347 HydrophobicContact CB-CE2 4.47Å; H344-F347 PolarHBondContact O-N 3.5Å |
| 345 | A | 94.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -60.1 | -18.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F347 N348 | A345-F347 VanDerWaalsContact C-N 3.29Å; A345-F347 PolarHBondContact O-N 3.16Å; A345-N348 WeakPolarHBondContact CA-ND2 3.41Å; A345-N348 PolarHBondContact O-N 2.87Å; A345-N348 PolarHBondContact O-ND2 3.03Å |
| 346 | F | 95.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -63.4 | -31.1 | 171.8 | 179.9 | -111.1 | 0 | 0 | 0 | 113.1 | E179 V182 Q183 M276 A318 L321 H344 | E179-F346 HydrophobicContact CG-CE2 3.85Å; V182-F346 HydrophobicContact CG1-CZ 4.33Å; Q183-F346 HydrophobicContact CB-CE1 4.24Å; Q183-F346 HydrophobicContact CB-CZ 3.93Å; Q183-F346 HydrophobicContact CG-CE1 4.17Å; Q183-F346 HydrophobicContact CG-CZ 4.19Å; Q183-F346 PolarHBondContact NE2-O 3.23Å; M276-F346 HydrophobicContact CE-CD1 4.01Å; M276-F346 HydrophobicContact CE-CD2 4.23Å; M276-F346 HydrophobicContact CE-CE1 3.66Å; M276-F346 HydrophobicContact CE-CE2 3.93Å; M276-F346 HydrophobicContact CE-CG 4.27Å; M276-F346 HydrophobicContact CE-CZ 3.62Å; M276-F346 HydrophobicContact SD-CE1 4.45Å; A318-F346 HydrophobicContact CB-CD2 3.69Å; A318-F346 HydrophobicContact CB-CE2 3.61Å; L321-F346 HydrophobicContact CB-CB 4.31Å; L321-F346 HydrophobicContact CD2-CB 4.07Å; L321-F346 HydrophobicContact CD2-CD1 3.44Å; L321-F346 VanDerWaalsContact CD2-CD1 3.44Å; L321-F346 HydrophobicContact CD2-CE1 4.18Å; L321-F346 HydrophobicContact CD2-CG 4Å; H344-F346 PolarHBondContact ND1-N 2.83Å; H344-F346 PolarHBondContact O-N 3.31Å |
| 347 | F | 95.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -95.7 | 13.9 | -177.5 | -55.9 | -74.5 | 0 | 0 | 0 | 113.7 | V186 S187 V190 L321 L341 H344 A345 G349 I350 W352 | V186-F347 HydrophobicContact CB-CE1 4.37Å; V186-F347 HydrophobicContact CG1-CE1 3.92Å; V186-F347 HydrophobicContact CG1-CZ 3.82Å; S187-F347 WeakPolarHBondContact OG-CD1 3.48Å; S187-F347 WeakPolarHBondContact OG-CE1 3.43Å; V190-F347 HydrophobicContact CG2-CZ 4.5Å; L321-F347 HydrophobicContact CD1-CE2 4.27Å; L321-F347 HydrophobicContact CD2-CD2 4.38Å; L321-F347 HydrophobicContact CD2-CE1 4.41Å; L321-F347 HydrophobicContact CD2-CE2 3.43Å; L321-F347 VanDerWaalsContact CD2-CE2 3.43Å; L321-F347 HydrophobicContact CD2-CZ 3.46Å; L321-F347 VanDerWaalsContact CD2-CZ 3.46Å; L341-F347 WeakPolarHBondContact O-CD2 3.02Å; L341-F347 WeakPolarHBondContact O-CE2 3.4Å; H344-F347 HydrophobicContact CB-CD2 4.16Å; H344-F347 HydrophobicContact CB-CE2 4.47Å; H344-F347 PolarHBondContact O-N 3.5Å; A345-F347 VanDerWaalsContact C-N 3.29Å; A345-F347 PolarHBondContact O-N 3.16Å; F347-G349 PolarHBondContact O-N 2.86Å; F347-G349 VanDerWaalsContact O-N 3.11Å; F347-I350 HydrophobicContact CB-CB 4.5Å; F347-I350 HydrophobicContact CB-CG1 4.2Å; F347-I350 HydrophobicContact CD1-CG1 4.49Å; F347-I350 WeakPolarHBondContact O-CB 3.28Å; F347-I350 WeakPolarHBondContact O-CG1 3.31Å; F347-I350 PolarHBondContact O-N 2.86Å; F347-W352 HydrophobicContact CB-CZ2 3.64Å; F347-W352 AromaticContact CD1-CH2 3.9Å; F347-W352 HydrophobicContact CD1-CH2 3.9Å; F347-W352 AromaticContact CD1-CZ2 3.77Å; F347-W352 HydrophobicContact CD1-CZ2 3.77Å; F347-W352 HydrophobicContact CD2-CH2 4.39Å; F347-W352 AromaticContact CD2-CZ2 3.95Å; F347-W352 HydrophobicContact CD2-CZ2 3.95Å; F347-W352 HydrophobicContact CE1-CH2 4.02Å; F347-W352 HydrophobicContact CE1-CZ2 4.32Å; F347-W352 HydrophobicContact CE2-CH2 4.48Å; F347-W352 HydrophobicContact CE2-CZ2 4.47Å; F347-W352 HydrophobicContact CG-CH2 4.07Å; F347-W352 AromaticContact CG-CZ2 3.53Å; F347-W352 HydrophobicContact CG-CZ2 3.53Å; F347-W352 HydrophobicContact CZ-CH2 4.3Å |
| 348 | N | 90 | Very high | 92.4 | Very high | 123 Ų | 123 | 61.1 Ų | 61.1 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 118.4 | 175.2 | -84.3 | -42.9 | 0 | 0 | 0 | 111 | Q183 A345 | Q183-N348 PolarHBondContact NE2-O 3.17Å; A345-N348 WeakPolarHBondContact CA-ND2 3.41Å; A345-N348 PolarHBondContact O-N 2.87Å; A345-N348 PolarHBondContact O-ND2 3.03Å |
| 349 | G | 89 | Confident | 92.3 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 86% | 0.856 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -2.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | F347 | F347-G349 PolarHBondContact O-N 2.86Å; F347-G349 VanDerWaalsContact O-N 3.11Å |
| 350 | I | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -78.3 | 124.1 | 173.7 | -61.2 | -63.6 | 0 | 0 | 0 | 110.5 | Q183 F347 W352 I355 | Q183-I350 HydrophobicContact CG-CD1 4.07Å; Q183-I350 HydrophobicContact CG-CG1 4.25Å; F347-I350 HydrophobicContact CB-CB 4.5Å; F347-I350 HydrophobicContact CB-CG1 4.2Å; F347-I350 HydrophobicContact CD1-CG1 4.49Å; F347-I350 WeakPolarHBondContact O-CB 3.28Å; F347-I350 WeakPolarHBondContact O-CG1 3.31Å; F347-I350 PolarHBondContact O-N 2.86Å; I350-W352 HydrophobicContact CG2-CD2 3.95Å; I350-W352 HydrophobicContact CG2-CE3 4.41Å; I350-W352 HydrophobicContact CG2-CG 4.18Å; I350-W352 HydrophobicContact CG2-CZ2 4.46Å; I350-W352 PolarHBondContact O-N 2.88Å; I350-I355 HydrophobicContact CG2-CD1 4.23Å | ||
| 351 | D | 92.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | trans | -83.7 | 97.3 | 166.5 | -175.9 | -26.6 | 0 | 0 | 0 | 108.9 | E353 H354 I355 | D351-E353 PolarHBondContact O-N 3.32Å; D351-E353 PolarHBondContact OD1-N 2.87Å; D351-H354 IonicContact OD1-CG 2.67Å; D351-H354 PolarHBondContact OD1-N 2.9Å; D351-H354 IonicContact OD1-ND1 2.66Å; D351-H354 PolarHBondContact OD1-ND1 3.48Å; D351-H354 IonicContact OD2-CG 3.93Å; D351-H354 IonicContact OD2-ND1 2.67Å; D351-H354 PolarHBondContact OD2-ND1 2.69Å; D351-I355 WeakPolarHBondContact O-CB 3.3Å; D351-I355 PolarHBondContact O-N 3.36Å | ||
| 352 | W | 93.6 | Very high | 92 | Very high | 37 Ų | 37 | 64 Ų | 64 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13 | -176.8 | -68.7 | 98.8 | 0 | 0 | 0 | 114.8 | S187 V190 L191 K342 F347 I350 | S187-W352 WeakPolarHBondContact O-CZ3 3.38Å; V190-W352 HydrophobicContact CB-CH2 4.33Å; V190-W352 HydrophobicContact CB-CZ3 4.16Å; V190-W352 HydrophobicContact CG1-CH2 4.11Å; V190-W352 HydrophobicContact CG1-CZ3 3.94Å; L191-W352 HydrophobicContact CD1-CE3 4.22Å; L191-W352 HydrophobicContact CD2-CE3 4.07Å; L191-W352 HydrophobicContact CG-CE3 4.02Å; L191-W352 HydrophobicContact CG-CZ3 4.22Å; K342-W352 HydrophobicContact CB-CD2 4.44Å; K342-W352 HydrophobicContact CB-CZ2 4.22Å; K342-W352 HydrophobicContact CD-CB 4.39Å; K342-W352 HydrophobicContact CD-CD2 4.1Å; K342-W352 HydrophobicContact CD-CG 4.03Å; K342-W352 HydrophobicContact CG-CD2 3.78Å; K342-W352 HydrophobicContact CG-CE3 4.18Å; K342-W352 HydrophobicContact CG-CG 4.15Å; K342-W352 HydrophobicContact CG-CH2 4.36Å; K342-W352 HydrophobicContact CG-CZ2 3.98Å; K342-W352 HydrophobicContact CG-CZ3 4.45Å; F347-W352 HydrophobicContact CB-CZ2 3.64Å; F347-W352 AromaticContact CD1-CH2 3.9Å; F347-W352 HydrophobicContact CD1-CH2 3.9Å; F347-W352 AromaticContact CD1-CZ2 3.77Å; F347-W352 HydrophobicContact CD1-CZ2 3.77Å; F347-W352 HydrophobicContact CD2-CH2 4.39Å; F347-W352 AromaticContact CD2-CZ2 3.95Å; F347-W352 HydrophobicContact CD2-CZ2 3.95Å; F347-W352 HydrophobicContact CE1-CH2 4.02Å; F347-W352 HydrophobicContact CE1-CZ2 4.32Å; F347-W352 HydrophobicContact CE2-CH2 4.48Å; F347-W352 HydrophobicContact CE2-CZ2 4.47Å; F347-W352 HydrophobicContact CG-CH2 4.07Å; F347-W352 AromaticContact CG-CZ2 3.53Å; F347-W352 HydrophobicContact CG-CZ2 3.53Å; F347-W352 HydrophobicContact CZ-CH2 4.3Å; I350-W352 HydrophobicContact CG2-CD2 3.95Å; I350-W352 HydrophobicContact CG2-CE3 4.41Å; I350-W352 HydrophobicContact CG2-CG 4.18Å; I350-W352 HydrophobicContact CG2-CZ2 4.46Å; I350-W352 PolarHBondContact O-N 2.88Å |
| 353 | E | 89.5 | Confident | 91.8 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 79% | 0.794 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -41.2 | 179.4 | -64 | -173.1 | 158.7 | 0 | 0 | 110.8 | D351 | D351-E353 PolarHBondContact O-N 3.32Å; D351-E353 PolarHBondContact OD1-N 2.87Å |
| 354 | H | 91.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.375 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 9.9 | -174.2 | -47.4 | 86.7 | 0 | 0 | 0 | 114.2 | D351 H356 E357 Q358 | D351-H354 IonicContact OD1-CG 2.67Å; D351-H354 PolarHBondContact OD1-N 2.9Å; D351-H354 IonicContact OD1-ND1 2.66Å; D351-H354 PolarHBondContact OD1-ND1 3.48Å; D351-H354 IonicContact OD2-CG 3.93Å; D351-H354 IonicContact OD2-ND1 2.67Å; D351-H354 PolarHBondContact OD2-ND1 2.69Å; H354-H356 PolarHBondContact O-N 2.66Å; H354-H356 VanDerWaalsContact O-N 3.14Å; H354-E357 IonicContact CD2-OE2 2.69Å; H354-E357 WeakPolarHBondContact O-CA 3.41Å; H354-E357 WeakPolarHBondContact O-CB 3.44Å; H354-E357 PolarHBondContact O-N 3.2Å; H354-Q358 PolarHBondContact O-N 3.08Å |
| 355 | I | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -53.9 | -34.3 | 179.4 | -171.6 | 169.4 | 0 | 0 | 0 | 113.5 | W140 F184 E188 L191 I350 D351 E357 Q358 | W140-I355 HydrophobicContact CH2-CG2 4.13Å; W140-I355 HydrophobicContact CZ2-CG2 4.2Å; F184-I355 HydrophobicContact CD2-CD1 4.13Å; F184-I355 HydrophobicContact CD2-CG1 4.15Å; F184-I355 HydrophobicContact CE2-CD1 4.12Å; F184-I355 HydrophobicContact CE2-CG1 3.67Å; F184-I355 HydrophobicContact CZ-CG1 4.23Å; E188-I355 HydrophobicContact CG-CD1 3.99Å; E188-I355 HydrophobicContact CG-CG1 4.4Å; L191-I355 HydrophobicContact CD1-CG2 3.59Å; I350-I355 HydrophobicContact CG2-CD1 4.23Å; D351-I355 WeakPolarHBondContact O-CB 3.3Å; D351-I355 PolarHBondContact O-N 3.36Å; I355-E357 PolarHBondContact O-N 3.04Å; I355-Q358 WeakPolarHBondContact O-CB 3.49Å; I355-Q358 PolarHBondContact O-N 2.88Å; I355-Q358 VanDerWaalsContact O-N 3.15Å |
| 356 | H | 90.7 | Very high | 90.7 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -76.6 | -4.7 | 177.2 | -157.4 | 81.4 | 0 | 0 | 0 | 113.9 | W140 H218 H354 | W140-H356 HydrophobicContact CH2-CB 4.05Å; W140-H356 AromaticContact CH2-ND1 3.6Å; W140-H356 HydrophobicContact CZ2-CB 4.16Å; W140-H356 AromaticContact CZ3-ND1 3.73Å; H218-H356 AromaticContact CG-CE1 3.77Å; H218-H356 AromaticContact CG-ND1 3.78Å; H218-H356 AromaticContact ND1-ND1 3.67Å; H354-H356 PolarHBondContact O-N 2.66Å; H354-H356 VanDerWaalsContact O-N 3.14Å |
| 357 | E | 91.4 | Very high | 90.2 | Very high | 160 Ų | 160 | 74.4 Ų | 74.4 | 75% | 0.748 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -97.5 | -11.3 | 169.5 | -51.6 | -168.1 | 156.3 | 0 | 0 | 112 | H354 I355 | H354-E357 IonicContact CD2-OE2 2.69Å; H354-E357 WeakPolarHBondContact O-CA 3.41Å; H354-E357 WeakPolarHBondContact O-CB 3.44Å; H354-E357 PolarHBondContact O-N 3.2Å; I355-E357 PolarHBondContact O-N 3.04Å |
| 358 | Q | 91.2 | Very high | 89.7 | Confident | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -80.8 | 145.5 | 176.3 | -57.1 | -176.6 | 16 | 0 | 0 | 110.9 | F184 H218 H354 I355 P360 | F184-Q358 HydrophobicContact CE2-CB 4.48Å; H218-Q358 PolarHBondContact CE1-O 3.07Å; H218-Q358 PolarHBondContact NE2-O 2.91Å; H354-Q358 PolarHBondContact O-N 3.08Å; I355-Q358 WeakPolarHBondContact O-CB 3.49Å; I355-Q358 PolarHBondContact O-N 2.88Å; I355-Q358 VanDerWaalsContact O-N 3.15Å; Q358-P360 VanDerWaalsContact O-CD 3.31Å; Q358-P360 WeakPolarHBondContact O-CD 3.39Å |
| 359 | I | 89.2 | Confident | 89.3 | Confident | 143 Ų | 143 | 74.3 Ų | 74.3 | 73% | 0.733 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 121.7 | 176.7 | -57.9 | 174.6 | 0 | 0 | 0 | 108.9 | I363 | I359-I363 HydrophobicContact CG2-CD1 4.03Š|
| 360 | P | 92.5 | Very high | 89 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 142.1 | 179.5 | -28.7 | 38.3 | 0 | 0 | 0 | 112.7 | F184 S216 Q358 Y362 | F184-P360 HydrophobicContact CE1-CB 3.93Å; F184-P360 HydrophobicContact CE1-CG 4.27Å; F184-P360 HydrophobicContact CZ-CB 4.06Å; F184-P360 HydrophobicContact CZ-CG 4.06Å; S216-P360 WeakPolarHBondContact O-CG 3.4Å; Q358-P360 VanDerWaalsContact O-CD 3.31Å; Q358-P360 WeakPolarHBondContact O-CD 3.39Å; P360-Y362 PolarHBondContact O-N 2.74Å |
| 361 | P | 90 | Very high | 88.7 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -70.8 | -13.9 | -176.7 | 29.5 | -36.3 | 0 | 0 | 0 | 113.8 | I181 F184 | I181-P361 HydrophobicContact CB-CG 4.38Å; I181-P361 HydrophobicContact CG1-CB 4.07Å; I181-P361 HydrophobicContact CG1-CG 4.36Å; I181-P361 HydrophobicContact CG2-CG 4.07Å; F184-P361 HydrophobicContact CB-CG 3.86Å; F184-P361 VanDerWaalsContact CD1-CD 3.44Å; F184-P361 HydrophobicContact CD1-CG 4.01Å; F184-P361 VanDerWaalsContact CG-CD 3.5Å; F184-P361 HydrophobicContact CG-CG 3.89Å |
| 362 | Y | 89.4 | Confident | 88.4 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 16% | 0.161 | 36% | 0.363 | C | S | . | . | trans | -128.1 | 123.7 | 168.4 | 175.1 | -95 | 0 | 0 | 0 | 109.3 | M169 K172 F173 Y185 L213 P360 P364 | M169-Y362 HydrophobicContact CE-CD1 4.1Å; M169-Y362 HydrophobicContact CG-CD1 3.9Å; M169-Y362 HydrophobicContact CG-CE1 3.86Å; M169-Y362 HydrophobicContact CG-CG 4.43Å; M169-Y362 HydrophobicContact SD-CD1 4.26Å; K172-Y362 VanDerWaalsContact CD-OH 3.27Å; K172-Y362 WeakPolarHBondContact CD-OH 3.44Å; K172-Y362 PolarHBondContact NZ-OH 3Å; F173-Y362 AromaticContact CE2-CD2 3.76Å; F173-Y362 HydrophobicContact CE2-CD2 3.76Å; F173-Y362 HydrophobicContact CE2-CE2 4.24Å; F173-Y362 HydrophobicContact CE2-CG 4.1Å; F173-Y362 AromaticContact CZ-CD2 3.71Å; F173-Y362 HydrophobicContact CZ-CD2 3.71Å; F173-Y362 HydrophobicContact CZ-CE2 4.44Å; F173-Y362 HydrophobicContact CZ-CG 4.23Å; Y185-Y362 PolarHBondContact OH-O 2.91Å; L213-Y362 HydrophobicContact CD2-CD1 4.41Å; P360-Y362 PolarHBondContact O-N 2.74Å; Y362-P364 HydrophobicContact CE1-CB 3.99Å | ||
| 363 | I | 88.6 | Confident | 87.8 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | trans | -110.7 | 120.6 | 173.8 | -57.3 | 176.1 | 0 | 0 | 0 | 107 | I359 | I359-I363 HydrophobicContact CG2-CD1 4.03Š| ||
| 364 | P | 88.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | trans | -67.8 | 138 | -179 | 25.5 | -32.1 | 0 | 0 | 0 | 111.4 | G163 Y362 V366 | G163-P364 VanDerWaalsContact CA-CG 3.46Å; G163-P364 WeakPolarHBondContact O-CB 3.48Å; Y362-P364 HydrophobicContact CE1-CB 3.99Å; P364-V366 PolarHBondContact O-N 3.46Å | ||
| 365 | E | 83.9 | Confident | 87.1 | Confident | 165 Ų | 165 | 61 Ų | 61 | 77% | 0.771 | 33% | 0.329 | S | S | * | . | trans | -66.4 | 119.7 | 171.5 | -66.4 | -173.9 | 165.1 | 0 | 0 | 109.8 | N374 | E365-N374 PolarHBondContact O-ND2 2.86Š| ||
| 366 | V | 86.9 | Confident | 86.1 | Confident | 50 Ų | 50 | 67 Ų | 67 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | trans | -132.1 | 119.1 | -177.6 | 171.6 | 0 | 0 | 0 | 0 | 109 | N162 P364 S368 D371 | N162-V366 HydrophobicContact CB-CG1 4.48Å; N162-V366 VanDerWaalsContact ND2-CG1 3.26Å; N162-V366 WeakPolarHBondContact ND2-CG1 3.43Å; P364-V366 PolarHBondContact O-N 3.46Å; V366-S368 WeakPolarHBondContact CG1-O 3.33Å; V366-D371 HydrophobicContact CG1-CB 4.3Å | ||
| 367 | T | 83.9 | Confident | 85.1 | Confident | 123 Ų | 123 | 65.8 Ų | 65.8 | 76% | 0.755 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -87.5 | -24.3 | -179.2 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | D371 | T367-D371 VanDerWaalsContact CB-OD2 3.29Å; T367-D371 WeakPolarHBondContact CB-OD2 3.19Å; T367-D371 WeakPolarHBondContact CG2-OD2 3.15Å; T367-D371 PolarHBondContact N-OD2 2.71Å; T367-D371 PolarHBondContact OG1-OD2 2.7Å |
| 368 | S | 85.1 | Confident | 83.4 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -161.3 | 159.9 | -168.4 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | N162 V366 D370 D371 | N162-S368 PolarHBondContact ND2-O 2.99Å; N162-S368 VanDerWaalsContact ND2-O 3.12Å; V366-S368 WeakPolarHBondContact CG1-O 3.33Å; S368-D370 PolarHBondContact O-N 2.66Å; S368-D371 VanDerWaalsContact O-CB 3.24Å; S368-D371 WeakPolarHBondContact O-CB 3.38Å; S368-D371 PolarHBondContact O-N 2.69Å; S368-D371 VanDerWaalsContact O-N 3.11Å; S368-D371 WeakPolarHBondContact OG-CB 3.29Å; S368-D371 PolarHBondContact OG-N 3.32Å |
| 369 | P | 82.7 | Confident | 81.5 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.3 | 176.2 | -22.5 | 35.1 | 0 | 0 | 0 | 113.8 | I103 F160 | I103-P369 HydrophobicContact CG1-CB 4.21Å; F160-P369 WeakPolarHBondContact CD1-O 3.38Å |
| 370 | D | 83.2 | Confident | 79.7 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14.3 | 174.9 | 53.5 | -43.7 | 0 | 0 | 0 | 113.4 | I81 I103 S368 T372 | I81-D370 HydrophobicContact CD1-CB 3.96Å; I103-D370 HydrophobicContact CD1-CB 4.17Å; I103-D370 HydrophobicContact CG1-CB 4.21Å; I103-D370 HydrophobicContact CG2-CB 4.34Å; S368-D370 PolarHBondContact O-N 2.66Å; D370-T372 PolarHBondContact O-N 3.25Å |
| 371 | D | 85.5 | Confident | 77.7 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.059 | 39% | 0.388 | C | S | . | . | trans | -62 | 135.7 | 175.8 | -157.7 | -24.8 | 0 | 0 | 0 | 111.2 | F160 V366 T367 S368 S373 | F160-D371 WeakPolarHBondContact CE1-O 3.39Å; F160-D371 VanDerWaalsContact CZ-O 3.25Å; F160-D371 WeakPolarHBondContact CZ-O 3.45Å; V366-D371 HydrophobicContact CG1-CB 4.3Å; T367-D371 VanDerWaalsContact CB-OD2 3.29Å; T367-D371 WeakPolarHBondContact CB-OD2 3.19Å; T367-D371 WeakPolarHBondContact CG2-OD2 3.15Å; T367-D371 PolarHBondContact N-OD2 2.71Å; T367-D371 PolarHBondContact OG1-OD2 2.7Å; S368-D371 VanDerWaalsContact O-CB 3.24Å; S368-D371 WeakPolarHBondContact O-CB 3.38Å; S368-D371 PolarHBondContact O-N 2.69Å; S368-D371 VanDerWaalsContact O-N 3.11Å; S368-D371 WeakPolarHBondContact OG-CB 3.29Å; S368-D371 PolarHBondContact OG-N 3.32Å; D371-S373 VanDerWaalsContact OD1-CB 3.23Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 2.89Å; D371-S373 PolarHBondContact OD1-OG 2.73Å; D371-S373 PolarHBondContact OD2-OG 2.89Å | ||
| 372 | T | 85.4 | Confident | 75.9 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 8% | 0.08 | 39% | 0.394 | C | S | . | . | trans | -136.6 | 25.8 | -175.5 | 40.7 | 0 | 0 | 0 | 0 | 110.5 | R82 I84 V94 F160 D370 I377 | R82-T372 VanDerWaalsContact CD-OG1 3.23Å; R82-T372 WeakPolarHBondContact CD-OG1 3.4Å; R82-T372 VanDerWaalsContact NH1-CB 3.33Å; R82-T372 PolarHBondContact NH1-O 3.24Å; R82-T372 VanDerWaalsContact NH1-O 3.07Å; R82-T372 PolarHBondContact NH1-OG1 3.4Å; I84-T372 HydrophobicContact CG2-CG2 3.73Å; V94-T372 HydrophobicContact CG2-CG2 3.84Å; F160-T372 HydrophobicContact CE1-CG2 4.41Å; F160-T372 HydrophobicContact CE2-CG2 4.49Å; F160-T372 HydrophobicContact CZ-CG2 3.71Å; D370-T372 PolarHBondContact O-N 3.25Å; T372-I377 HydrophobicContact CG2-CD1 4.42Å; T372-I377 WeakPolarHBondContact O-CD1 3.36Å | ||
| 373 | S | 81.4 | Confident | 74.1 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -81.5 | -14.6 | 174.6 | 59.3 | 0 | 0 | 0 | 0 | 114 | D371 | D371-S373 VanDerWaalsContact OD1-CB 3.23Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 2.89Å; D371-S373 PolarHBondContact OD1-OG 2.73Å; D371-S373 PolarHBondContact OD2-OG 2.89Å |
| 374 | N | 84.4 | Confident | 72.4 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.027 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -97.2 | 11 | 179.6 | -60.7 | -49.4 | 0 | 0 | 0 | 114.3 | N162 G163 G164 D165 T168 K172 E365 | N162-N374 PolarHBondContact O-ND2 3.14Å; G163-N374 VanDerWaalsContact O-CB 3.25Å; G163-N374 WeakPolarHBondContact O-CB 3.48Å; G164-N374 WeakPolarHBondContact CA-O 3.38Å; D165-N374 PolarHBondContact N-O 3.46Å; T168-N374 WeakPolarHBondContact CB-O 3.33Å; T168-N374 WeakPolarHBondContact CG2-O 3.45Å; T168-N374 PolarHBondContact OG1-O 3Å; K172-N374 PolarHBondContact NZ-OD1 3.14Å; E365-N374 PolarHBondContact O-ND2 2.86Å |
| 375 | F | 82.3 | Confident | 70.5 | Confident | 24 Ų | 24 | 83.5 Ų | 83.5 | 11% | 0.105 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -120.4 | 141.4 | 171.9 | -67.2 | -87.2 | 0 | 0 | 0 | 108.5 | F160 Y161 D165 L212 I377 | F160-F375 HydrophobicContact CE2-CD2 4.4Å; F160-F375 AromaticContact CE2-CE2 3.5Å; F160-F375 HydrophobicContact CE2-CE2 3.5Å; F160-F375 AromaticContact CE2-CZ 3.9Å; F160-F375 HydrophobicContact CE2-CZ 3.9Å; F160-F375 HydrophobicContact CZ-CD2 4.46Å; F160-F375 AromaticContact CZ-CE2 3.76Å; F160-F375 HydrophobicContact CZ-CE2 3.76Å; Y161-F375 WeakPolarHBondContact O-CE2 3.41Å; Y161-F375 WeakPolarHBondContact O-CZ 3.38Å; D165-F375 HydrophobicContact CB-CD1 4.49Å; D165-F375 VanDerWaalsContact OD2-CD1 3.24Å; D165-F375 WeakPolarHBondContact OD2-CD1 3.49Å; L212-F375 HydrophobicContact CD2-CE1 4.18Å; F375-I377 HydrophobicContact CB-CD1 3.92Å; F375-I377 HydrophobicContact CB-CG1 3.84Å; F375-I377 PolarHBondContact O-N 3.46Å |
| 376 | D | 73.2 | Confident | 68.8 | Low | 126 Ų | 126 | 76.5 Ų | 76.5 | 67% | 0.674 | 42% | 0.416 | S | S | * | . | trans | -80.9 | 116.3 | 167.7 | -152.9 | -14.3 | 0 | 0 | 0 | 109.9 | ||||
| 377 | I | 68.3 | Low | 66.8 | Low | 22 Ų | 22 | 77.5 Ų | 77.5 | 11% | 0.113 | 42% | 0.424 | C | S | . | . | trans | -118.9 | 97.7 | -165.8 | -66.1 | 168.5 | 0 | 0 | 0 | 109.5 | L83 I84 T372 F375 Q379 | L83-I377 VanDerWaalsContact O-CG2 3.28Å; L83-I377 WeakPolarHBondContact O-CG2 3.05Å; I84-I377 HydrophobicContact CB-CD1 4.41Å; I84-I377 HydrophobicContact CG2-CD1 3.83Å; I84-I377 HydrophobicContact CG2-CG1 4.48Å; T372-I377 HydrophobicContact CG2-CD1 4.42Å; T372-I377 WeakPolarHBondContact O-CD1 3.36Å; F375-I377 HydrophobicContact CB-CD1 3.92Å; F375-I377 HydrophobicContact CB-CG1 3.84Å; F375-I377 PolarHBondContact O-N 3.46Å; I377-Q379 PolarHBondContact O-N 2.89Å | ||
| 378 | E | 57.3 | Low | 65 | Low | 131 Ų | 131 | 77.6 Ų | 77.6 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | trans | -53.5 | 133.8 | 167.9 | -71.6 | -165.6 | -179.7 | 0 | 0 | 110.9 | S380 | E378-S380 PolarHBondContact O-N 3.35Å; E378-S380 PolarHBondContact OE2-OG 2.97Å | ||
| 379 | Q | 51.2 | Low | 63.1 | Low | 201 Ų | 201 | 77.8 Ų | 77.8 | 94% | 0.939 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -80.5 | 4.7 | 177.2 | -61.5 | -174.5 | 4.2 | 0 | 0 | 113.2 | I377 | I377-Q379 PolarHBondContact O-N 2.89Š|
| 380 | S | 50.7 | Low | 61.3 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 43% | 0.427 | 41% | 0.41 | S | S | . | . | trans | -96.5 | 110.7 | -177.2 | 97.2 | 0 | 0 | 0 | 0 | 111.3 | E378 | E378-S380 PolarHBondContact O-N 3.35Å; E378-S380 PolarHBondContact OE2-OG 2.97Å | ||
| 381 | S | 49.5 | Very low | 59.5 | Low | 85 Ų | 85 | 76.4 Ų | 76.4 | 59% | 0.594 | 42% | 0.424 | S | S | * | . | trans | -87.2 | 120.9 | 170.1 | 31.2 | 0 | 0 | 0 | 0 | 109.3 | N383 | S381-N383 PolarHBondContact O-N 3.16Š| ||
| 382 | R | 52.8 | Low | 57.5 | Low | 129 Ų | 129 | 82.2 Ų | 82.2 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | trans | -78.9 | 116.4 | 175.5 | -68.9 | 178.7 | 175.6 | 158 | 2.9 | 109.1 | S86 H384 | S86-R382 PolarHBondContact O-NH1 2.73Å; R382-H384 VanDerWaalsContact C-N 3.32Å; R382-H384 PolarHBondContact O-CD2 2.96Å; R382-H384 VanDerWaalsContact O-CD2 3.32Å; R382-H384 PolarHBondContact O-N 3.07Å | ||
| 383 | N | 52.4 | Low | 55.6 | Low | 147 Ų | 147 | 85.1 Ų | 85.1 | 79% | 0.786 | 47% | 0.465 | S | S | * | . | trans | -69 | 87.5 | 176.8 | -79.5 | -22.6 | 0 | 0 | 0 | 111.1 | S381 E385 | S381-N383 PolarHBondContact O-N 3.16Å; N383-E385 PolarHBondContact O-N 3.38Å | ||
| 384 | H | 52.8 | Low | 54.2 | Low | 37 Ų | 37 | 89.7 Ų | 89.7 | 17% | 0.171 | 47% | 0.472 | C | S | . | . | trans | -70.9 | 47.9 | 170.8 | -77.4 | -84.4 | 0 | 0 | 0 | 112.7 | D113 R382 G386 | D113-H384 IonicContact OD2-ND1 2.79Å; D113-H384 PolarHBondContact OD2-ND1 2.96Å; D113-H384 VanDerWaalsContact OD2-ND1 3.13Å; R382-H384 VanDerWaalsContact C-N 3.32Å; R382-H384 PolarHBondContact O-CD2 2.96Å; R382-H384 VanDerWaalsContact O-CD2 3.32Å; R382-H384 PolarHBondContact O-N 3.07Å; H384-G386 PolarHBondContact O-N 3.45Å | ||
| 385 | E | 47.9 | Very low | 53.2 | Low | 165 Ų | 165 | 90.8 Ų | 90.8 | 77% | 0.771 | 49% | 0.485 | S | S | * | . | trans | -77.6 | 58.3 | 163.3 | -67.6 | -150.5 | 118.9 | 0 | 0 | 110.1 | N383 | N383-E385 PolarHBondContact O-N 3.38Š| ||
| 386 | G | 48.4 | Very low | 52.7 | Low | 18 Ų | 18 | 89.9 Ų | 89.9 | 19% | 0.186 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -56 | 140.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H110 H384 | H110-G386 VanDerWaalsContact CE1-CA 3.46Å; H110-G386 WeakPolarHBondContact CE1-CA 3.22Å; H384-G386 PolarHBondContact O-N 3.45Å |
| 387 | P | 44.3 | Very low | 53.1 | Low | 71 Ų | 71 | 83.9 Ų | 83.9 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.7 | -161.8 | 21.6 | -35 | 0 | 0 | 0 | 112.4 | Y112 L389 | Y112-P387 HydrophobicContact CD1-CG 4.35Å; Y112-P387 HydrophobicContact CE1-CG 3.57Å; P387-L389 PolarHBondContact O-N 2.95Å |
| 388 | P | 46.8 | Very low | 53.6 | Low | 125 Ų | 125 | 85.9 Ų | 85.9 | 81% | 0.812 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 130.4 | -173.6 | 22.6 | -34.2 | 0 | 0 | 0 | 110.8 | G390 | P388-G390 PolarHBondContact O-N 3.03Š|
| 389 | L | 44.8 | Very low | 54.5 | Low | 42 Ų | 42 | 81.7 Ų | 81.7 | 22% | 0.22 | 45% | 0.45 | C | S | . | . | trans | -48.3 | 94.3 | -169.5 | -68.1 | 176.6 | 0 | 0 | 0 | 112.3 | L45 Y112 P387 | L45-L389 HydrophobicContact CD2-CB 4.05Å; L45-L389 HydrophobicContact CD2-CD1 4.17Å; Y112-L389 HydrophobicContact CD2-CD2 4.05Å; Y112-L389 HydrophobicContact CG-CD2 4.46Å; P387-L389 PolarHBondContact O-N 2.95Å | ||
| 390 | G | 43.8 | Very low | 56 | Low | 27 Ų | 27 | 72.2 Ų | 72.2 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | trans | -81.7 | 160.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P388 I392 F393 | P388-G390 PolarHBondContact O-N 3.03Å; G390-I392 PolarHBondContact O-N 3.21Å; G390-F393 PolarHBondContact O-N 3.4Å | ||
| 391 | P | 45.9 | Very low | 57.7 | Low | 98 Ų | 98 | 70.4 Ų | 70.4 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 7.4 | -172.1 | 28.7 | -37.6 | 0 | 0 | 0 | 115.6 | Q47 | Q47-P391 HydrophobicContact CB-CB 4.41Š|
| 392 | I | 43.4 | Very low | 59.3 | Low | 132 Ų | 132 | 66.8 Ų | 66.8 | 68% | 0.677 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -27.3 | 177 | -63.5 | 173.5 | 0 | 0 | 0 | 111.3 | G390 | G390-I392 PolarHBondContact O-N 3.21Š|
| 393 | F | 46 | Very low | 60.9 | Low | 75 Ų | 75 | 60.8 Ų | 60.8 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | trans | -111.1 | 100.7 | -178 | -64.9 | -88.6 | 0 | 0 | 0 | 110.1 | Y112 G390 | Y112-F393 AromaticContact CE2-CD2 3.83Å; Y112-F393 HydrophobicContact CE2-CD2 3.83Å; Y112-F393 AromaticContact CE2-CE2 3.7Å; Y112-F393 HydrophobicContact CE2-CE2 3.7Å; Y112-F393 HydrophobicContact CE2-CG 4.44Å; Y112-F393 HydrophobicContact CE2-CZ 4.22Å; G390-F393 PolarHBondContact O-N 3.4Å | ||
| 394 | R | 53.1 | Low | 62.7 | Low | 163 Ų | 163 | 54.1 Ų | 54.1 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | trans | -96.9 | 147.4 | 170.4 | -67.2 | -176.1 | 176.8 | -153.2 | -7.2 | 109.9 | C396 | R394-C396 VanDerWaalsContact C-N 3.33Š| ||
| 395 | G | 63.4 | Low | 64.4 | Low | 28 Ų | 28 | 52.4 Ų | 52.4 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 79.1 | 15.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E42 Q397 V398 A399 | E42-G395 VanDerWaalsContact CD-N 3.29Å; E42-G395 PolarHBondContact OE1-N 2.96Å; E42-G395 WeakPolarHBondContact OE2-CA 3.48Å; E42-G395 PolarHBondContact OE2-N 2.67Å; G395-Q397 VanDerWaalsContact C-N 3.28Å; G395-Q397 PolarHBondContact O-N 2.68Å; G395-V398 PolarHBondContact O-N 2.97Å; G395-A399 PolarHBondContact O-N 2.79Å |
| 396 | C | 71.3 | Confident | 66.3 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.1 | -179.1 | -178 | 0 | 0 | 0 | 0 | 111.6 | E42 L115 R394 | E42-C396 PolarHBondContact OE2-N 3.32Å; E42-C396 VanDerWaalsContact OE2-N 3.13Å; L115-C396 HydrophobicContact CD1-CB 4.11Å; L115-C396 VanDerWaalsContact CD1-SG 3.51Å; R394-C396 VanDerWaalsContact C-N 3.33Å |
| 397 | Q | 80.8 | Confident | 67.8 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -32.8 | 177.3 | -55.2 | -69.3 | -6.7 | 0 | 0 | 111 | C38 Y41 E42 E151 G395 A399 C400 | C38-Q397 HydrophobicContact CB-CB 3.99Å; C38-Q397 WeakPolarHBondContact CB-O 3.27Å; C38-Q397 WeakPolarHBondContact O-CB 3.33Å; C38-Q397 PolarHBondContact SG-O 2.85Å; Y41-Q397 HydrophobicContact CD2-CG 4.35Å; E42-Q397 PolarHBondContact OE2-N 3.33Å; E151-Q397 PolarHBondContact O-NE2 3.36Å; G395-Q397 VanDerWaalsContact C-N 3.28Å; G395-Q397 PolarHBondContact O-N 2.68Å; Q397-A399 VanDerWaalsContact C-N 3.26Å; Q397-A399 PolarHBondContact O-N 2.75Å; Q397-C400 PolarHBondContact O-N 2.64Å |
| 398 | V | 78.7 | Confident | 69.3 | Low | 63 Ų | 63 | 47 Ų | 47 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -62.6 | -33.3 | 179 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | L39 E42 G395 C400 I401 | L39-V398 HydrophobicContact CD2-CG2 4.22Å; E42-V398 HydrophobicContact CG-CG2 4.28Å; G395-V398 PolarHBondContact O-N 2.97Å; V398-C400 PolarHBondContact O-N 3.22Å; V398-I401 HydrophobicContact CB-CD1 4.4Å; V398-I401 HydrophobicContact CG1-CD1 3.98Å; V398-I401 WeakPolarHBondContact O-CG1 3.42Å; V398-I401 PolarHBondContact O-N 3.38Å |
| 399 | A | 76.9 | Confident | 71 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -64.5 | -19.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L115 F123 G395 Q397 | L115-A399 HydrophobicContact CD1-CB 4.47Å; L115-A399 HydrophobicContact CD2-CB 4.11Å; F123-A399 WeakPolarHBondContact CZ-O 3.32Å; G395-A399 PolarHBondContact O-N 2.79Å; Q397-A399 VanDerWaalsContact C-N 3.26Å; Q397-A399 PolarHBondContact O-N 2.75Å |
| 400 | C | 83.4 | Confident | 72.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -100.3 | 18.3 | -178 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | Q149 L154 Q397 V398 F403 | Q149-C400 PolarHBondContact NE2-O 2.75Å; L154-C400 HydrophobicContact CD2-CB 4.03Å; Q397-C400 PolarHBondContact O-N 2.64Å; V398-C400 PolarHBondContact O-N 3.22Å; C400-F403 WeakPolarHBondContact O-CB 3.47Å |
| 401 | I | 84.7 | Confident | 73.9 | Confident | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 127.3 | 177.4 | -65.5 | 171.3 | 0 | 0 | 0 | 109.9 | Y31 D34 T35 C38 V398 | Y31-I401 HydrophobicContact CD1-CG2 4.14Å; Y31-I401 HydrophobicContact CD2-CG2 4.3Å; Y31-I401 HydrophobicContact CE1-CG2 3.73Å; Y31-I401 HydrophobicContact CE2-CG2 3.9Å; Y31-I401 HydrophobicContact CG-CG2 4.39Å; D34-I401 HydrophobicContact CB-CG2 4.27Å; T35-I401 HydrophobicContact CG2-CD1 4.49Å; T35-I401 WeakPolarHBondContact OG1-CG2 3.29Å; C38-I401 HydrophobicContact CB-CD1 4.25Å; C38-I401 HydrophobicContact CB-CG1 3.73Å; V398-I401 HydrophobicContact CB-CD1 4.4Å; V398-I401 HydrophobicContact CG1-CD1 3.98Å; V398-I401 WeakPolarHBondContact O-CG1 3.42Å; V398-I401 PolarHBondContact O-N 3.38Å |
| 402 | G | 82.9 | Confident | 75.4 | Confident | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 13.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y31 D34 | Y31-G402 VanDerWaalsContact CD2-CA 3.45Å; D34-G402 WeakPolarHBondContact OD2-CA 3.37Å; D34-G402 PolarHBondContact OD2-N 2.89Å |
| 403 | F | 87.8 | Confident | 76.7 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | trans | -78.7 | -36.5 | 174.8 | -178.8 | -98.5 | 0 | 0 | 0 | 112.2 | D34 F123 T147 F148 Q149 L154 Y155 F156 C400 F405 | D34-F403 PolarHBondContact OD2-N 2.87Å; F123-F403 HydrophobicContact CB-CE2 4.49Å; F123-F403 AromaticContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CE2 4.1Å; F123-F403 HydrophobicContact CE2-CD2 4.08Å; T147-F403 WeakPolarHBondContact CB-O 3.41Å; T147-F403 HydrophobicContact CG2-CE1 4.18Å; T147-F403 HydrophobicContact CG2-CE2 4.41Å; T147-F403 HydrophobicContact CG2-CZ 3.84Å; T147-F403 PolarHBondContact OG1-O 3.3Å; F148-F403 WeakPolarHBondContact O-CE1 3.45Å; Q149-F403 HydrophobicContact CB-CD1 4.19Å; L154-F403 HydrophobicContact CB-CD1 4.29Å; L154-F403 HydrophobicContact CB-CE1 3.76Å; L154-F403 HydrophobicContact CB-CE2 4.14Å; L154-F403 HydrophobicContact CB-CZ 3.69Å; L154-F403 HydrophobicContact CD1-CD2 4.03Å; L154-F403 HydrophobicContact CD1-CE2 4.06Å; L154-F403 HydrophobicContact CD1-CG 4.39Å; L154-F403 HydrophobicContact CD1-CZ 4.46Å; L154-F403 HydrophobicContact CD2-CB 4.37Å; L154-F403 HydrophobicContact CD2-CD1 3.7Å; L154-F403 HydrophobicContact CD2-CD2 4.28Å; L154-F403 HydrophobicContact CD2-CE1 4.06Å; L154-F403 HydrophobicContact CD2-CG 3.81Å; L154-F403 HydrophobicContact CG-CD1 4.46Å; L154-F403 HydrophobicContact CG-CE1 4.4Å; L154-F403 HydrophobicContact CG-CE2 4.5Å; L154-F403 HydrophobicContact CG-CZ 4.44Å; Y155-F403 WeakPolarHBondContact O-CE1 3.19Å; F156-F403 HydrophobicContact CD1-CZ 4.49Å; F156-F403 HydrophobicContact CD2-CZ 4.05Å; F156-F403 HydrophobicContact CE1-CE2 4.07Å; F156-F403 HydrophobicContact CE1-CZ 4.21Å; F156-F403 AromaticContact CE2-CE2 3.79Å; F156-F403 HydrophobicContact CE2-CE2 3.79Å; F156-F403 AromaticContact CE2-CZ 3.74Å; F156-F403 HydrophobicContact CE2-CZ 3.74Å; F156-F403 HydrophobicContact CG-CZ 4.42Å; F156-F403 AromaticContact CZ-CE2 3.54Å; F156-F403 HydrophobicContact CZ-CE2 3.54Å; F156-F403 AromaticContact CZ-CZ 3.85Å; F156-F403 HydrophobicContact CZ-CZ 3.85Å; C400-F403 WeakPolarHBondContact O-CB 3.47Å; F403-F405 PolarHBondContact O-N 3.17Å | ||
| 404 | T | 89.1 | Confident | 77.5 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | trans | -68.6 | 128.2 | -176 | -61 | 0 | 0 | 0 | 0 | 110.9 | D34 | D34-T404 VanDerWaalsContact OD1-CB 3.26Å; D34-T404 WeakPolarHBondContact OD1-CB 3.35Å; D34-T404 PolarHBondContact OD1-OG1 3.11Å; D34-T404 PolarHBondContact OD2-N 3.47Å | ||
| 405 | F | 88.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 116.9 | 176.4 | 171 | -100 | 0 | 0 | 0 | 110 | E30 V131 M134 L144 H146 T147 F403 N407 N412 L414 | E30-F405 WeakPolarHBondContact OE2-CA 3.37Å; V131-F405 HydrophobicContact CG1-CE2 4.1Å; V131-F405 HydrophobicContact CG1-CZ 4.15Å; V131-F405 HydrophobicContact CG2-CD1 3.84Å; V131-F405 HydrophobicContact CG2-CD2 4.2Å; V131-F405 HydrophobicContact CG2-CE1 3.92Å; V131-F405 HydrophobicContact CG2-CE2 4.27Å; V131-F405 HydrophobicContact CG2-CG 3.99Å; V131-F405 HydrophobicContact CG2-CZ 4.13Å; M134-F405 HydrophobicContact CE-CE1 4.18Å; M134-F405 HydrophobicContact CE-CZ 3.81Å; L144-F405 HydrophobicContact CD2-CD1 4.25Å; H146-F405 CarbonylContact C-O 3.58Å; H146-F405 WeakPolarHBondContact CA-O 3.26Å; T147-F405 PolarHBondContact N-O 3.2Å; T147-F405 PolarHBondContact O-N 3.15Å; T147-F405 VanDerWaalsContact O-N 3.09Å; T147-F405 VanDerWaalsContact OG1-CB 3.29Å; T147-F405 WeakPolarHBondContact OG1-CB 3.28Å; T147-F405 PolarHBondContact OG1-N 3.3Å; F403-F405 PolarHBondContact O-N 3.17Å; F405-N407 HydrophobicContact CE1-CB 3.97Å; F405-N407 HydrophobicContact CZ-CB 4.33Å; F405-N412 HydrophobicContact CD2-CB 4.18Å; F405-N412 HydrophobicContact CE2-CB 4.28Å; F405-N412 WeakPolarHBondContact CE2-ND2 3.23Å; F405-L414 HydrophobicContact CE2-CD1 3.87Å; F405-L414 HydrophobicContact CE2-CG 4.39Å; F405-L414 HydrophobicContact CZ-CD1 3.92Å |
| 406 | T | 87.5 | Confident | 76.9 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 105.1 | 174.7 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | L4 I8 E30 S409 N412 | L4-T406 HydrophobicContact CD1-CG2 4.31Å; L4-T406 HydrophobicContact CD2-CG2 3.88Å; L4-T406 HydrophobicContact CG-CG2 4.38Å; I8-T406 HydrophobicContact CD1-CG2 4.07Å; E30-T406 WeakPolarHBondContact OE1-CB 3.1Å; E30-T406 PolarHBondContact OE1-N 2.97Å; E30-T406 PolarHBondContact OE1-OG1 2.89Å; E30-T406 PolarHBondContact OE2-N 3.41Å; T406-S409 WeakPolarHBondContact O-CB 3.32Å; T406-S409 PolarHBondContact O-N 3.45Å; T406-N412 PolarHBondContact O-ND2 3.17Å |
| 407 | N | 81.9 | Confident | 75.6 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 142.3 | 172.6 | -175.4 | 13.3 | 0 | 0 | 0 | 112.3 | M134 H145 H146 F405 S409 | M134-N407 HydrophobicContact CE-CB 4.42Å; M134-N407 WeakPolarHBondContact CE-OD1 3.24Å; M134-N407 HydrophobicContact SD-CB 4.18Å; M134-N407 PolarHBondContact SD-ND2 2.9Å; H145-N407 WeakPolarHBondContact O-CB 3.48Å; H145-N407 PolarHBondContact O-N 3.39Å; H146-N407 PolarHBondContact ND1-N 3.38Å; F405-N407 HydrophobicContact CE1-CB 3.97Å; F405-N407 HydrophobicContact CZ-CB 4.33Å; N407-S409 PolarHBondContact O-N 3.07Å |
| 408 | N | 75.8 | Confident | 73.7 | Confident | 101 Ų | 101 | 34.6 Ų | 34.6 | 54% | 0.54 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 12.5 | -172.2 | -57.8 | -69.5 | 0 | 0 | 0 | 116 | H418 | N408-H418 PolarHBondContact OD1-ND1 3.21Š|
| 409 | S | 81 | Confident | 71.8 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | trans | -81.3 | 133.1 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | T406 N407 L411 N412 | T406-S409 WeakPolarHBondContact O-CB 3.32Å; T406-S409 PolarHBondContact O-N 3.45Å; N407-S409 PolarHBondContact O-N 3.07Å; S409-L411 PolarHBondContact O-N 3.44Å; S409-L411 WeakPolarHBondContact OG-CB 3.45Å; S409-L411 PolarHBondContact OG-N 3.34Å; S409-N412 VanDerWaalsContact O-CG 3.25Å; S409-N412 PolarHBondContact O-ND2 3.43Å; S409-N412 PolarHBondContact O-OD1 3.23Å | ||
| 410 | P | 73.6 | Confident | 69.8 | Low | 42 Ų | 42 | 46.6 Ų | 46.6 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 3.2 | 172.3 | 34.9 | -36.6 | 0 | 0 | 0 | 113 | I8 V12 | I8-P410 HydrophobicContact CG2-CG 4.09Å; V12-P410 HydrophobicContact CG2-CG 4.07Å |
| 411 | L | 76.9 | Confident | 67.6 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -11 | -179.8 | -60.4 | 170.9 | 0 | 0 | 0 | 113 | L11 V12 V29 E30 S409 | L11-L411 HydrophobicContact CB-CD1 3.67Å; L11-L411 HydrophobicContact CD1-CD1 4.18Å; V12-L411 HydrophobicContact CG2-CD1 4.41Å; V12-L411 HydrophobicContact CG2-CD2 3.66Å; V12-L411 HydrophobicContact CG2-CG 4.05Å; V29-L411 CarbonylContact C-O 3.54Å; V29-L411 WeakPolarHBondContact CA-O 3.33Å; V29-L411 HydrophobicContact CB-CB 4.15Å; V29-L411 HydrophobicContact CB-CD2 3.98Å; V29-L411 WeakPolarHBondContact CB-O 3.31Å; V29-L411 HydrophobicContact CG1-CD2 3.9Å; V29-L411 HydrophobicContact CG2-CD2 4.43Å; V29-L411 PolarHBondContact N-O 3.29Å; E30-L411 HydrophobicContact CG-CB 3.74Å; E30-L411 PolarHBondContact N-O 2.98Å; S409-L411 PolarHBondContact O-N 3.44Å; S409-L411 WeakPolarHBondContact OG-CB 3.45Å; S409-L411 PolarHBondContact OG-N 3.34Å |
| 412 | N | 77.7 | Confident | 65.1 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -95.5 | 175.1 | -175.9 | 72.6 | 29.5 | 0 | 0 | 0 | 112.1 | E30 F405 T406 S409 L414 G415 | E30-N412 HydrophobicContact CG-CB 4.48Å; E30-N412 WeakPolarHBondContact OE2-CB 3.31Å; F405-N412 HydrophobicContact CD2-CB 4.18Å; F405-N412 HydrophobicContact CE2-CB 4.28Å; F405-N412 WeakPolarHBondContact CE2-ND2 3.23Å; T406-N412 PolarHBondContact O-ND2 3.17Å; S409-N412 VanDerWaalsContact O-CG 3.25Å; S409-N412 PolarHBondContact O-ND2 3.43Å; S409-N412 PolarHBondContact O-OD1 3.23Å; N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 VanDerWaalsContact OD1-C 3.28Å; N412-L414 VanDerWaalsContact OD1-CA 3.24Å; N412-L414 WeakPolarHBondContact OD1-CA 3.38Å; N412-L414 WeakPolarHBondContact OD1-CB 3.31Å; N412-L414 PolarHBondContact OD1-N 3.47Å; N412-G415 PolarHBondContact O-N 3.37Å; N412-G415 VanDerWaalsContact O-N 3.11Å; N412-G415 PolarHBondContact OD1-N 2.95Å |
| 413 | E | 69.2 | Low | 62.7 | Low | 105 Ų | 105 | 61.1 Ų | 61.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -7.4 | 179.1 | 67.9 | -151.4 | 141.6 | 0 | 0 | 114.9 | R127 | R127-E413 IonicContact CZ-OE1 3.54Å; R127-E413 VanDerWaalsContact CZ-OE1 3.22Å; R127-E413 IonicContact NH1-OE1 3.13Å; R127-E413 PolarHBondContact NH1-OE1 2.93Å; R127-E413 IonicContact NH2-OE1 3.41Å; R127-E413 PolarHBondContact NH2-OE1 3.07Å; R127-E413 IonicContact NH2-OE2 3.3Å |
| 414 | L | 63.8 | Low | 60 | Low | 38 Ų | 38 | 69.7 Ų | 69.7 | 20% | 0.199 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 18.7 | 172.7 | -51.7 | 178.2 | 0 | 0 | 0 | 112.1 | V131 M134 V135 F405 N412 T417 | V131-L414 HydrophobicContact CG1-CD1 3.97Å; M134-L414 HydrophobicContact CE-CD1 4.18Å; V135-L414 HydrophobicContact CG2-CD1 3.41Å; V135-L414 VanDerWaalsContact CG2-CD1 3.41Å; V135-L414 HydrophobicContact CG2-CD2 3.79Å; V135-L414 HydrophobicContact CG2-CG 4.26Å; F405-L414 HydrophobicContact CE2-CD1 3.87Å; F405-L414 HydrophobicContact CE2-CG 4.39Å; F405-L414 HydrophobicContact CZ-CD1 3.92Å; N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 VanDerWaalsContact OD1-C 3.28Å; N412-L414 VanDerWaalsContact OD1-CA 3.24Å; N412-L414 WeakPolarHBondContact OD1-CA 3.38Å; N412-L414 WeakPolarHBondContact OD1-CB 3.31Å; N412-L414 PolarHBondContact OD1-N 3.47Å; L414-T417 PolarHBondContact O-OG1 2.93Å |
| 415 | G | 55.4 | Low | 57.2 | Low | 11 Ų | 11 | 76.7 Ų | 76.7 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 177 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N412 T417 | N412-G415 PolarHBondContact O-N 3.37Å; N412-G415 VanDerWaalsContact O-N 3.11Å; N412-G415 PolarHBondContact OD1-N 2.95Å; G415-T417 PolarHBondContact O-N 3.35Å; G415-T417 PolarHBondContact O-OG1 3.39Å |
| 416 | P | 49 | Very low | 54.3 | Low | 68 Ų | 68 | 86.6 Ų | 86.6 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | -25.6 | -15.1 | -124.1 | -37.2 | 34.7 | 0 | 0 | 0 | 122.7 | H418 Y419 R420 | P416-H418 VanDerWaalsContact C-N 3.31Å; P416-H418 PolarHBondContact O-N 3.32Å; P416-Y419 PolarHBondContact O-N 3.38Å; P416-Y419 VanDerWaalsContact O-N 3.16Å; P416-R420 PolarHBondContact O-N 3.02Å | |
| 417 | T | 43.7 | Very low | 51.6 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -44 | -49.3 | 173 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | L414 G415 Y419 R420 | L414-T417 PolarHBondContact O-OG1 2.93Å; G415-T417 PolarHBondContact O-N 3.35Å; G415-T417 PolarHBondContact O-OG1 3.39Å; T417-Y419 PolarHBondContact O-N 2.88Å; T417-R420 WeakPolarHBondContact O-CB 3.46Å; T417-R420 PolarHBondContact O-N 3.33Å; T417-R420 VanDerWaalsContact O-N 3.09Å |
| 418 | H | 40.1 | Very low | 48.9 | Very low | 67 Ų | 67 | 101.2 Ų | 101.2 | 31% | 0.31 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | -177.4 | -131.2 | -96.8 | 0 | 0 | 0 | 113.5 | N408 P416 R420 M421 | N408-H418 PolarHBondContact OD1-ND1 3.21Å; P416-H418 VanDerWaalsContact C-N 3.31Å; P416-H418 PolarHBondContact O-N 3.32Å; H418-R420 PolarHBondContact O-N 3.25Å; H418-M421 PolarHBondContact O-N 2.94Å |
| 419 | Y | 39.2 | Very low | 46.2 | Very low | 149 Ų | 149 | 102.2 Ų | 102.2 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.7 | -23.6 | 174.1 | -104.5 | -85.2 | 0 | 0 | 0 | 112.8 | P416 T417 | P416-Y419 PolarHBondContact O-N 3.38Å; P416-Y419 VanDerWaalsContact O-N 3.16Å; T417-Y419 PolarHBondContact O-N 2.88Å |
| 420 | R | 35 | Very low | 43.7 | Very low | 211 Ų | 211 | 108 Ų | 108 | 80% | 0.796 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79 | -20.9 | 178.9 | -149.7 | 179.4 | -156 | 176.9 | 8.9 | 113.2 | P416 T417 H418 | P416-R420 PolarHBondContact O-N 3.02Å; T417-R420 WeakPolarHBondContact O-CB 3.46Å; T417-R420 PolarHBondContact O-N 3.33Å; T417-R420 VanDerWaalsContact O-N 3.09Å; H418-R420 PolarHBondContact O-N 3.25Å |
| 421 | M | 36.4 | Very low | 41.3 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 72% | 0.724 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -86.7 | -25.4 | 178.3 | -80.8 | -164 | 161.7 | 0 | 0 | 113.9 | H418 | H418-M421 PolarHBondContact O-N 2.94Å |
| 422 | T | 32.7 | Very low | 38.7 | Very low | 100 Ų | 100 | 123 Ų | 123 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -90.4 | 2.9 | -176.3 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 423 | S | 32.8 | Very low | 36.3 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -116.6 | 31.1 | -177.4 | 80.5 | 0 | 0 | 0 | 0 | 114 | ||
| 424 | K | 31.5 | Very low | 34.2 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | trans | -141.3 | 41.1 | -177.9 | -87.2 | -159.6 | 172 | -168.4 | 0 | 114.8 | ||||
| 425 | D | 30.4 | Very low | 32.3 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | trans | -69.7 | 143.8 | 156.1 | -75.6 | -41.8 | 0 | 0 | 0 | 110.2 | ||||
| 426 | K | 26.5 | Very low | 31.1 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | trans | 74.5 | 80.4 | -173 | -52.8 | -177.1 | 179.5 | -175.5 | 0 | 116.2 | ||||
| 427 | L | 30.5 | Very low | 29.8 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | -141 | 142.5 | 122.4 | -161.4 | 62.4 | 0 | 0 | 0 | 108.5 | |||||
| 428 | E | 25.8 | Very low | 29.1 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 144.6 | -173 | -68 | 157.1 | 134 | 0 | 0 | 111.5 | P430 | E428-P430 WeakPolarHBondContact O-CD 3.48Š|
| 429 | C | 18.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83 | 126.2 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 430 | P | 28.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 141.8 | 159.2 | -7.9 | 26.7 | 0 | 0 | 0 | 110.1 | E428 | E428-P430 WeakPolarHBondContact O-CD 3.48Š|
| 431 | E | 23.1 | Very low | 27.4 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 164.7 | -179.7 | -65.9 | 168.2 | 125.2 | 0 | 0 | 113 | ||
| 432 | E | 22.2 | Very low | 27 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 49.6 | 128.1 | 155.3 | -68.6 | -176.9 | 172.3 | 0 | 0 | 121 | ||||
| 433 | I | 28.4 | Very low | 26.7 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | -148.2 | 144.4 | 121.1 | -104.3 | 152.5 | 0 | 0 | 0 | 109.7 | |||||
| 434 | S | 25.2 | Very low | 27.4 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 158 | -162.9 | 55.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 435 | K | 22.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 70% | 0.7 | 81% | 0.811 | S | S | * | * | trans | -28.8 | 150.5 | 150.2 | -60.8 | 172.5 | 167.3 | -175.1 | 0 | 114.3 | E437 | K435-E437 HydrophobicContact CD-CG 4.15Å; K435-E437 WeakPolarHBondContact CD-OE1 3.31Å; K435-E437 IonicContact NZ-OE1 2.66Å; K435-E437 PolarHBondContact NZ-OE1 2.97Å | ||
| 436 | P | 30.1 | Very low | 27.1 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -108.8 | 122.1 | 132.4 | 32.7 | -26.2 | 0 | 0 | 0 | 110.3 | ||||
| 437 | E | 22.6 | Very low | 27.2 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 140.8 | 164.6 | -73.9 | 163.8 | 179.8 | 0 | 0 | 109 | K435 | K435-E437 HydrophobicContact CD-CG 4.15Å; K435-E437 WeakPolarHBondContact CD-OE1 3.31Å; K435-E437 IonicContact NZ-OE1 2.66Å; K435-E437 PolarHBondContact NZ-OE1 2.97Å | ||
| 438 | G | 29.3 | Very low | 27.1 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -156.7 | 75 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 439 | S | 23.2 | Very low | 27.1 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -70.4 | 146.5 | 165.2 | 53.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 440 | D | 28.7 | Very low | 27.5 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 139.8 | 132.1 | -100.3 | -22.5 | 0 | 0 | 0 | 111.1 | ||||
| 441 | D | 25.4 | Very low | 27.3 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 127 | 178.6 | -82.3 | -66.9 | 0 | 0 | 0 | 112 | ||||
| 442 | I | 29.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -132.9 | 95 | 152.9 | -55.3 | -177.4 | 0 | 0 | 0 | 109.1 | ||||
| 443 | S | 25.1 | Very low | 27.8 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88 | 160.1 | 167.4 | 43.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 444 | P | 48 | Very low | 28.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 156.8 | -144.6 | 34.5 | -37.6 | 0 | 0 | 0 | 115.5 | ||
| 445 | P | 30.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 126.4 | 157.6 | 31.9 | -31.2 | 0 | 0 | 0 | 109.9 | ||
| 446 | S | 25.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.8 | 160.1 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 447 | D | 29 | Very low | 28.7 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -158 | 121.7 | 130.9 | -104.8 | -19.6 | 0 | 0 | 0 | 114.6 | ||||
| 448 | D | 27.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 58.3 | 169 | 146.2 | -138.1 | -6.8 | 0 | 0 | 0 | 122.7 | ||||
| 449 | S | 25.2 | Very low | 28.7 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -90.3 | 156 | -147.4 | 48.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 450 | G | 28 | Very low | 28.7 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -163.5 | 58.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L452 | G450-L452 PolarHBondContact O-N 3.48Å; G450-L452 VanDerWaalsContact O-N 3.16Å | ||
| 451 | I | 24.8 | Very low | 28.8 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 109.9 | -177.7 | -60.1 | 168.4 | 0 | 0 | 0 | 110.9 | ||||
| 452 | L | 26.5 | Very low | 28.8 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -142 | 92 | 158.5 | -75.9 | -179 | 0 | 0 | 0 | 110 | G450 | G450-L452 PolarHBondContact O-N 3.48Å; G450-L452 VanDerWaalsContact O-N 3.16Å | ||
| 453 | D | 29.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -104.4 | 174.4 | 169.5 | -145.8 | 18.9 | 0 | 0 | 0 | 108.7 | ||||
| 454 | P | 46.4 | Very low | 29.7 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | -125.4 | 161.3 | -106.6 | 38 | -21.7 | 0 | 0 | 0 | 114.4 | |||||
| 455 | S | 24.4 | Very low | 29.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -175.9 | 162 | 147.8 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 456 | N | 26.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 64.1 | 68.3 | 159.3 | -60.3 | -12.6 | 0 | 0 | 0 | 119 | ||||
| 457 | A | 28.5 | Very low | 30.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -141.2 | 48.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 458 | S | 25 | Very low | 32.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -90.9 | 134.6 | 174.7 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 459 | K | 25.7 | Very low | 33.4 | Very low | 193 Ų | 193 | 122 Ų | 122 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | 77.7 | 144.3 | 171.8 | -55.3 | 173.6 | -177.1 | 174.6 | 0 | 116.5 | ||||
| 460 | F | 24.3 | Very low | 35.4 | Very low | 196 Ų | 196 | 121 Ų | 121 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | cis | -159.9 | 162.2 | -32.6 | -138.5 | -94.8 | 0 | 0 | 0 | 108.1 | ||||
| 461 | S | 29.1 | Very low | 37.4 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | trans | -44 | 141.3 | -173.7 | 58.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 462 | S | 27 | Very low | 39.5 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | trans | -161.6 | 146.7 | 133.1 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 463 | G | 31.4 | Very low | 41.5 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | trans | 114.4 | 72.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | R465 | G463-R465 PolarHBondContact O-N 2.9Š| ||
| 464 | T | 40.6 | Very low | 43.6 | Very low | 134 Ų | 134 | 113.7 Ų | 113.7 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 12 | -172.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 465 | R | 39.5 | Very low | 44.9 | Very low | 227 Ų | 227 | 111.2 Ų | 111.2 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -28 | -179.7 | -96.7 | -176.3 | 167.9 | -174.6 | -6.3 | 114.5 | G463 L469 | G463-R465 PolarHBondContact O-N 2.9Å; R465-L469 PolarHBondContact O-N 3.29Å |
| 466 | E | 41.3 | Very low | 47.1 | Very low | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.5 | -47.5 | -176.4 | -164.2 | 174.9 | -158.8 | 0 | 0 | 114.7 | A468 L469 I470 | E466-A468 PolarHBondContact O-N 2.91Å; E466-L469 PolarHBondContact O-N 3.05Å; E466-I470 HydrophobicContact CG-CD1 3.82Å; E466-I470 HydrophobicContact CG-CG1 4.42Å; E466-I470 WeakPolarHBondContact O-CG1 3.49Å; E466-I470 PolarHBondContact O-N 3.06Å |
| 467 | P | 47.3 | Very low | 49.6 | Very low | 81 Ų | 81 | 105.7 Ų | 105.7 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.3 | -39.2 | -175.8 | 23.5 | -33.6 | 0 | 0 | 0 | 113 | L469 I470 E471 | P467-L469 VanDerWaalsContact C-N 3.29Å; P467-L469 PolarHBondContact O-N 3.28Å; P467-I470 PolarHBondContact O-N 2.88Å; P467-E471 VanDerWaalsContact O-CB 3.24Å; P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 2.84Å |
| 468 | A | 54.9 | Low | 51.9 | Low | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -30.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E466 L472 | E466-A468 PolarHBondContact O-N 2.91Å; A468-L472 WeakPolarHBondContact O-CB 3.44Å; A468-L472 PolarHBondContact O-N 2.89Å |
| 469 | L | 56 | Low | 54.3 | Low | 69 Ų | 69 | 104.2 Ų | 104.2 | 36% | 0.361 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.4 | -38.2 | 176.3 | -163.8 | 66 | 0 | 0 | 0 | 111.5 | R465 E466 P467 E471 L472 I473 V559 | R465-L469 PolarHBondContact O-N 3.29Å; E466-L469 PolarHBondContact O-N 3.05Å; P467-L469 VanDerWaalsContact C-N 3.29Å; P467-L469 PolarHBondContact O-N 3.28Å; L469-E471 VanDerWaalsContact C-N 3.33Å; L469-L472 PolarHBondContact O-N 2.84Å; L469-I473 VanDerWaalsContact O-CG1 3.31Å; L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 2.96Å; L469-V559 HydrophobicContact CD2-CG2 3.64Å; L469-V559 HydrophobicContact CG-CG2 4.24Å |
| 470 | I | 67 | Low | 56.6 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 170.8 | -68.3 | 170.4 | 0 | 0 | 0 | 110.8 | E466 P467 I473 K474 | E466-I470 HydrophobicContact CG-CD1 3.82Å; E466-I470 HydrophobicContact CG-CG1 4.42Å; E466-I470 WeakPolarHBondContact O-CG1 3.49Å; E466-I470 PolarHBondContact O-N 3.06Å; P467-I470 PolarHBondContact O-N 2.88Å; I470-I473 PolarHBondContact O-N 3.19Å; I470-K474 WeakPolarHBondContact O-CG 3.48Å; I470-K474 PolarHBondContact O-N 3.45Å |
| 471 | E | 69.8 | Low | 59.1 | Low | 138 Ų | 138 | 91.2 Ų | 91.2 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 176.1 | -174.2 | 166.6 | -127.9 | 0 | 0 | 111.7 | P467 L469 I473 K474 A475 | P467-E471 VanDerWaalsContact O-CB 3.24Å; P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 2.84Å; L469-E471 VanDerWaalsContact C-N 3.33Å; E471-I473 PolarHBondContact O-N 2.92Å; E471-K474 PolarHBondContact O-N 2.79Å; E471-A475 WeakPolarHBondContact O-CB 3.23Å; E471-A475 PolarHBondContact O-N 2.84Å |
| 472 | L | 69 | Low | 61.5 | Low | 88 Ų | 88 | 90.3 Ų | 90.3 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.9 | -175.3 | 63.9 | 0 | 0 | 0 | 112.4 | A468 L469 A475 L476 | A468-L472 WeakPolarHBondContact O-CB 3.44Å; A468-L472 PolarHBondContact O-N 2.89Å; L469-L472 PolarHBondContact O-N 2.84Å; L472-A475 PolarHBondContact O-N 3.1Å; L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CG 4.47Å; L472-L476 HydrophobicContact CG-CD1 4.16Å; L472-L476 WeakPolarHBondContact O-CB 3.38Å; L472-L476 WeakPolarHBondContact O-CG 3.35Å; L472-L476 PolarHBondContact O-N 3.24Å |
| 473 | I | 68.8 | Low | 63.8 | Low | 35 Ų | 35 | 87.2 Ų | 87.2 | 18% | 0.179 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.5 | -69.3 | 164.6 | 0 | 0 | 0 | 111 | L469 I470 E471 L476 K477 I555 V559 | L469-I473 VanDerWaalsContact O-CG1 3.31Å; L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 2.96Å; I470-I473 PolarHBondContact O-N 3.19Å; E471-I473 PolarHBondContact O-N 2.92Å; I473-L476 PolarHBondContact O-N 2.85Å; I473-K477 WeakPolarHBondContact O-CG 3.49Å; I473-K477 PolarHBondContact O-N 3Å; I473-I555 HydrophobicContact CD1-CG2 3.97Å; I473-I555 HydrophobicContact CG1-CG2 3.8Å; I473-V559 HydrophobicContact CD1-CG2 3.82Å |
| 474 | K | 73.9 | Confident | 66 | Low | 142 Ų | 142 | 88.8 Ų | 88.8 | 62% | 0.617 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 173.7 | -76.1 | -178.7 | 175.7 | -172.2 | 0 | 111.7 | I470 E471 L476 K477 T478 | I470-K474 WeakPolarHBondContact O-CG 3.48Å; I470-K474 PolarHBondContact O-N 3.45Å; E471-K474 PolarHBondContact O-N 2.79Å; K474-L476 VanDerWaalsContact C-N 3.34Å; K474-L476 PolarHBondContact O-N 3.42Å; K474-K477 PolarHBondContact O-N 3.46Å; K474-T478 PolarHBondContact O-N 3.27Å; K474-T478 PolarHBondContact O-OG1 3.47Å; K474-T478 VanDerWaalsContact O-OG1 3.08Å |
| 475 | A | 73.8 | Confident | 67.8 | Low | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E471 L472 T478 K479 | E471-A475 WeakPolarHBondContact O-CB 3.23Å; E471-A475 PolarHBondContact O-N 2.84Å; L472-A475 PolarHBondContact O-N 3.1Å; A475-T478 PolarHBondContact O-OG1 2.65Å; A475-K479 WeakPolarHBondContact O-CB 3.32Å; A475-K479 PolarHBondContact O-N 3.45Å |
| 476 | L | 70.5 | Confident | 69.6 | Low | 27 Ų | 27 | 79.8 Ų | 79.8 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.7 | -29 | 174.7 | -70.7 | 172.1 | 0 | 0 | 0 | 112.8 | L472 I473 K474 C480 N552 I555 | L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CG 4.47Å; L472-L476 HydrophobicContact CG-CD1 4.16Å; L472-L476 WeakPolarHBondContact O-CB 3.38Å; L472-L476 WeakPolarHBondContact O-CG 3.35Å; L472-L476 PolarHBondContact O-N 3.24Å; I473-L476 PolarHBondContact O-N 2.85Å; K474-L476 VanDerWaalsContact C-N 3.34Å; K474-L476 PolarHBondContact O-N 3.42Å; L476-C480 PolarHBondContact O-N 2.88Å; L476-N552 WeakPolarHBondContact CB-OD1 3.46Å; L476-N552 PolarHBondContact O-ND2 2.99Å; L476-I555 HydrophobicContact CD1-CD1 3.87Å |
| 477 | K | 77.1 | Confident | 71.3 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.6 | -50.8 | 171.4 | -78.2 | -171.6 | 175.5 | -165.5 | 0 | 112.3 | I473 K474 K479 C480 E481 | I473-K477 WeakPolarHBondContact O-CG 3.49Å; I473-K477 PolarHBondContact O-N 3Å; K474-K477 PolarHBondContact O-N 3.46Å; K477-K479 PolarHBondContact O-N 2.97Å; K477-K479 VanDerWaalsContact O-N 3.1Å; K477-C480 WeakPolarHBondContact O-CA 3.21Å; K477-C480 WeakPolarHBondContact O-CB 3.22Å; K477-C480 PolarHBondContact O-N 3.3Å; K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.09Å |
| 478 | T | 77.4 | Confident | 72.9 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -21.3 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | K474 A475 E481 N482 | K474-T478 PolarHBondContact O-N 3.27Å; K474-T478 PolarHBondContact O-OG1 3.47Å; K474-T478 VanDerWaalsContact O-OG1 3.08Å; A475-T478 PolarHBondContact O-OG1 2.65Å; T478-E481 WeakPolarHBondContact CA-OE2 3.34Å; T478-N482 WeakPolarHBondContact O-CB 3.29Å; T478-N482 PolarHBondContact O-N 3.35Å; T478-N482 VanDerWaalsContact O-N 3.08Å; T478-N482 PolarHBondContact O-ND2 3.34Å |
| 479 | K | 76.3 | Confident | 74 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.4 | -36.4 | 170.7 | -161.4 | 173.9 | -169.9 | 178.1 | 0 | 113.5 | A475 K477 Y483 | A475-K479 WeakPolarHBondContact O-CB 3.32Å; A475-K479 PolarHBondContact O-N 3.45Å; K477-K479 PolarHBondContact O-N 2.97Å; K477-K479 VanDerWaalsContact O-N 3.1Å; K479-Y483 HydrophobicContact CG-CE2 4.12Å; K479-Y483 VanDerWaalsContact O-CD2 3.28Å; K479-Y483 WeakPolarHBondContact O-CD2 3.11Å; K479-Y483 PolarHBondContact O-N 3.13Å |
| 480 | C | 73.3 | Confident | 75 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.7 | -50.5 | 168.6 | -72.7 | 0 | 0 | 0 | 0 | 110.6 | L476 K477 N482 Y483 E484 L545 S548 N552 | L476-C480 PolarHBondContact O-N 2.88Å; K477-C480 WeakPolarHBondContact O-CA 3.21Å; K477-C480 WeakPolarHBondContact O-CB 3.22Å; K477-C480 PolarHBondContact O-N 3.3Å; C480-N482 VanDerWaalsContact C-N 3.3Å; C480-N482 PolarHBondContact O-N 2.82Å; C480-Y483 WeakPolarHBondContact O-CA 3.48Å; C480-Y483 PolarHBondContact O-N 3.3Å; C480-E484 PolarHBondContact O-N 3.23Å; C480-L545 HydrophobicContact CB-CD1 3.77Å; C480-S548 PolarHBondContact SG-OG 2.64Å; C480-S548 VanDerWaalsContact SG-OG 3.36Å; C480-N552 PolarHBondContact SG-ND2 3.34Å |
| 481 | E | 78 | Confident | 75.6 | Confident | 103 Ų | 103 | 77.2 Ų | 77.2 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 179.3 | -66.6 | 155.3 | -160.4 | 0 | 0 | 111.7 | K477 T478 E484 M485 | K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.09Å; T478-E481 WeakPolarHBondContact CA-OE2 3.34Å; E481-E484 PolarHBondContact O-N 2.69Å; E481-M485 WeakPolarHBondContact O-CB 3.35Å; E481-M485 PolarHBondContact O-N 2.88Å |
| 482 | N | 78 | Confident | 75.9 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 173.7 | -91.5 | -64 | 0 | 0 | 0 | 113.8 | T478 C480 Q486 | T478-N482 WeakPolarHBondContact O-CB 3.29Å; T478-N482 PolarHBondContact O-N 3.35Å; T478-N482 VanDerWaalsContact O-N 3.08Å; T478-N482 PolarHBondContact O-ND2 3.34Å; C480-N482 VanDerWaalsContact C-N 3.3Å; C480-N482 PolarHBondContact O-N 2.82Å; N482-Q486 WeakPolarHBondContact O-CG 3.45Å; N482-Q486 PolarHBondContact O-N 3.1Å; N482-Q486 VanDerWaalsContact O-N 3.09Å |
| 483 | Y | 75.1 | Confident | 76.3 | Confident | 46 Ų | 46 | 74 Ų | 74 | 18% | 0.18 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 175.5 | -68.4 | -36.3 | 0 | 0 | 0 | 111.6 | K479 C480 I487 L541 K544 | K479-Y483 HydrophobicContact CG-CE2 4.12Å; K479-Y483 VanDerWaalsContact O-CD2 3.28Å; K479-Y483 WeakPolarHBondContact O-CD2 3.11Å; K479-Y483 PolarHBondContact O-N 3.13Å; C480-Y483 WeakPolarHBondContact O-CA 3.48Å; C480-Y483 PolarHBondContact O-N 3.3Å; Y483-I487 WeakPolarHBondContact O-CB 3.49Å; Y483-I487 VanDerWaalsContact O-CD1 3.29Å; Y483-I487 WeakPolarHBondContact O-CD1 3.44Å; Y483-I487 WeakPolarHBondContact O-CG1 3.22Å; Y483-I487 PolarHBondContact O-N 2.88Å; Y483-L541 HydrophobicContact CD1-CD2 4.02Å; Y483-L541 HydrophobicContact CE1-CD2 4.29Å; Y483-K544 HydrophobicContact CE2-CB 4.24Å |
| 484 | E | 77.5 | Confident | 76.4 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 172.2 | -71 | -176.7 | 136.1 | 0 | 0 | 111.1 | C480 E481 Q486 I487 T488 L545 | C480-E484 PolarHBondContact O-N 3.23Å; E481-E484 PolarHBondContact O-N 2.69Å; E484-Q486 PolarHBondContact O-N 2.95Å; E484-I487 CarbonylContact O-C 3.51Å; E484-I487 WeakPolarHBondContact O-CB 3.47Å; E484-I487 PolarHBondContact O-N 3.02Å; E484-I487 VanDerWaalsContact O-N 3.11Å; E484-T488 PolarHBondContact O-N 3.27Å; E484-T488 PolarHBondContact O-OG1 2.97Å; E484-L545 HydrophobicContact CG-CD1 3.97Å; E484-L545 HydrophobicContact CG-CD2 3.59Å; E484-L545 HydrophobicContact CG-CG 4.45Å |
| 485 | M | 79 | Confident | 76.4 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 48% | 0.478 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 178.6 | -172.3 | 172.5 | 69 | 0 | 0 | 112.3 | E481 I487 T488 E489 | E481-M485 WeakPolarHBondContact O-CB 3.35Å; E481-M485 PolarHBondContact O-N 2.88Å; M485-I487 VanDerWaalsContact C-N 3.31Å; M485-I487 PolarHBondContact O-N 3.05Å; M485-T488 WeakPolarHBondContact CA-OG1 3.42Å; M485-T488 PolarHBondContact O-N 3.16Å; M485-T488 PolarHBondContact O-OG1 2.85Å; M485-E489 WeakPolarHBondContact O-CG 3.4Å; M485-E489 PolarHBondContact O-N 3.17Å |
| 486 | Q | 77.4 | Confident | 76.1 | Confident | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 175.4 | -71.3 | 171.6 | 19.7 | 0 | 0 | 112.3 | N482 E484 L490 L541 | N482-Q486 WeakPolarHBondContact O-CG 3.45Å; N482-Q486 PolarHBondContact O-N 3.1Å; N482-Q486 VanDerWaalsContact O-N 3.09Å; E484-Q486 PolarHBondContact O-N 2.95Å; Q486-L490 WeakPolarHBondContact O-CB 3.45Å; Q486-L490 WeakPolarHBondContact O-CD1 3.45Å; Q486-L490 VanDerWaalsContact O-CG 3.22Å; Q486-L490 WeakPolarHBondContact O-CG 3.44Å; Q486-L490 PolarHBondContact O-N 2.74Å; Q486-L541 HydrophobicContact CB-CD1 4.19Å |
| 487 | I | 77.9 | Confident | 75.8 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 175.3 | -73.4 | 163.7 | 0 | 0 | 0 | 111 | Y483 E484 M485 K491 V538 L541 L545 | Y483-I487 WeakPolarHBondContact O-CB 3.49Å; Y483-I487 VanDerWaalsContact O-CD1 3.29Å; Y483-I487 WeakPolarHBondContact O-CD1 3.44Å; Y483-I487 WeakPolarHBondContact O-CG1 3.22Å; Y483-I487 PolarHBondContact O-N 2.88Å; E484-I487 CarbonylContact O-C 3.51Å; E484-I487 WeakPolarHBondContact O-CB 3.47Å; E484-I487 PolarHBondContact O-N 3.02Å; E484-I487 VanDerWaalsContact O-N 3.11Å; M485-I487 VanDerWaalsContact C-N 3.31Å; M485-I487 PolarHBondContact O-N 3.05Å; I487-K491 HydrophobicContact CG2-CD 3.99Å; I487-K491 VanDerWaalsContact CG2-CE 3.44Å; I487-K491 VanDerWaalsContact CG2-NZ 3.32Å; I487-K491 WeakPolarHBondContact O-CB 3.49Å; I487-K491 WeakPolarHBondContact O-CD 3.22Å; I487-K491 WeakPolarHBondContact O-CG 3.41Å; I487-K491 PolarHBondContact O-N 2.86Å; I487-K491 VanDerWaalsContact O-N 3.15Å; I487-V538 HydrophobicContact CG2-CG1 4.43Å; I487-L541 HydrophobicContact CD1-CB 3.95Å; I487-L541 HydrophobicContact CG1-CB 3.69Å; I487-L545 HydrophobicContact CD1-CB 4.4Å; I487-L545 HydrophobicContact CD1-CD2 4.08Å |
| 488 | T | 79.4 | Confident | 75.3 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.3 | -51.1 | 172.2 | 39.4 | 0 | 0 | 0 | 0 | 111.7 | E484 M485 L490 K491 D492 | E484-T488 PolarHBondContact O-N 3.27Å; E484-T488 PolarHBondContact O-OG1 2.97Å; M485-T488 WeakPolarHBondContact CA-OG1 3.42Å; M485-T488 PolarHBondContact O-N 3.16Å; M485-T488 PolarHBondContact O-OG1 2.85Å; T488-L490 VanDerWaalsContact C-N 3.29Å; T488-L490 PolarHBondContact O-N 2.94Å; T488-K491 CarbonylContact O-C 3.54Å; T488-K491 WeakPolarHBondContact O-CA 3.42Å; T488-K491 WeakPolarHBondContact O-CB 3.48Å; T488-K491 PolarHBondContact O-N 3.1Å; T488-D492 WeakPolarHBondContact O-CB 3.25Å; T488-D492 PolarHBondContact O-N 2.62Å |
| 489 | E | 78.9 | Confident | 74.6 | Confident | 114 Ų | 114 | 79.7 Ų | 79.7 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.6 | -42.7 | 179.1 | -72.2 | -178.3 | 135.7 | 0 | 0 | 112.7 | M485 T493 | M485-E489 WeakPolarHBondContact O-CG 3.4Å; M485-E489 PolarHBondContact O-N 3.17Å; E489-T493 VanDerWaalsContact O-CB 3.24Å; E489-T493 WeakPolarHBondContact O-CB 3.47Å; E489-T493 PolarHBondContact O-N 2.93Å; E489-T493 PolarHBondContact O-OG1 2.91Å |
| 490 | L | 77.4 | Confident | 73.8 | Confident | 39 Ų | 39 | 79 Ų | 79 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.4 | -30.1 | 178.4 | -66.3 | 171.3 | 0 | 0 | 0 | 113 | Q486 T488 L494 I534 Q537 V538 L541 | Q486-L490 WeakPolarHBondContact O-CB 3.45Å; Q486-L490 WeakPolarHBondContact O-CD1 3.45Å; Q486-L490 VanDerWaalsContact O-CG 3.22Å; Q486-L490 WeakPolarHBondContact O-CG 3.44Å; Q486-L490 PolarHBondContact O-N 2.74Å; T488-L490 VanDerWaalsContact C-N 3.29Å; T488-L490 PolarHBondContact O-N 2.94Å; L490-L494 WeakPolarHBondContact O-CB 3.42Å; L490-L494 WeakPolarHBondContact O-CG 3.47Å; L490-L494 PolarHBondContact O-N 3.07Å; L490-L494 VanDerWaalsContact O-N 3.09Å; L490-I534 HydrophobicContact CB-CG2 4.3Å; L490-I534 HydrophobicContact CD2-CG2 4.17Å; L490-Q537 HydrophobicContact CD1-CB 4.45Å; L490-V538 HydrophobicContact CB-CG2 3.48Å; L490-V538 VanDerWaalsContact CB-CG2 3.48Å; L490-V538 HydrophobicContact CD1-CG2 4.12Å; L490-V538 HydrophobicContact CG-CG2 4.45Å; L490-L541 HydrophobicContact CD1-CD1 3.74Å |
| 491 | K | 78.7 | Confident | 72.7 | Confident | 111 Ų | 111 | 84.8 Ų | 84.8 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.3 | -42.4 | 171.6 | -79.4 | 169 | -178.4 | 169.3 | 0 | 111.7 | I487 T488 L494 S495 V538 | I487-K491 HydrophobicContact CG2-CD 3.99Å; I487-K491 VanDerWaalsContact CG2-CE 3.44Å; I487-K491 VanDerWaalsContact CG2-NZ 3.32Å; I487-K491 WeakPolarHBondContact O-CB 3.49Å; I487-K491 WeakPolarHBondContact O-CD 3.22Å; I487-K491 WeakPolarHBondContact O-CG 3.41Å; I487-K491 PolarHBondContact O-N 2.86Å; I487-K491 VanDerWaalsContact O-N 3.15Å; T488-K491 CarbonylContact O-C 3.54Å; T488-K491 WeakPolarHBondContact O-CA 3.42Å; T488-K491 WeakPolarHBondContact O-CB 3.48Å; T488-K491 PolarHBondContact O-N 3.1Å; K491-L494 CarbonylContact O-C 3.58Å; K491-L494 WeakPolarHBondContact O-CA 3.28Å; K491-L494 WeakPolarHBondContact O-CB 3.37Å; K491-L494 PolarHBondContact O-N 2.68Å; K491-L494 VanDerWaalsContact O-N 3.16Å; K491-S495 PolarHBondContact O-N 3.32Å; K491-V538 HydrophobicContact CG-CG1 4.42Å |
| 492 | D | 77.1 | Confident | 71.2 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 179.9 | -61.7 | -20.1 | 0 | 0 | 0 | 109.7 | T488 L494 S495 C496 | T488-D492 WeakPolarHBondContact O-CB 3.25Å; T488-D492 PolarHBondContact O-N 2.62Å; D492-L494 VanDerWaalsContact C-N 3.3Å; D492-L494 PolarHBondContact O-N 3.27Å; D492-S495 CarbonylContact O-C 3.44Å; D492-S495 WeakPolarHBondContact O-CA 3.15Å; D492-S495 WeakPolarHBondContact O-CB 3.3Å; D492-S495 PolarHBondContact O-N 3.22Å; D492-C496 PolarHBondContact O-N 2.83Å; D492-C496 PolarHBondContact O-SG 2.85Å; D492-C496 VanDerWaalsContact O-SG 3.37Å |
| 493 | T | 76.1 | Confident | 69.3 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56 | -43.1 | 168.4 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E489 Y497 | E489-T493 VanDerWaalsContact O-CB 3.24Å; E489-T493 WeakPolarHBondContact O-CB 3.47Å; E489-T493 PolarHBondContact O-N 2.93Å; E489-T493 PolarHBondContact O-OG1 2.91Å; T493-Y497 WeakPolarHBondContact O-CB 3.48Å; T493-Y497 PolarHBondContact O-N 2.84Å |
| 494 | L | 72.6 | Confident | 67.5 | Low | 21 Ų | 21 | 92.6 Ų | 92.6 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 173.8 | -84.4 | 168.1 | 0 | 0 | 0 | 113 | L490 K491 D492 R498 V531 I534 | L490-L494 WeakPolarHBondContact O-CB 3.42Å; L490-L494 WeakPolarHBondContact O-CG 3.47Å; L490-L494 PolarHBondContact O-N 3.07Å; L490-L494 VanDerWaalsContact O-N 3.09Å; K491-L494 CarbonylContact O-C 3.58Å; K491-L494 WeakPolarHBondContact O-CA 3.28Å; K491-L494 WeakPolarHBondContact O-CB 3.37Å; K491-L494 PolarHBondContact O-N 2.68Å; K491-L494 VanDerWaalsContact O-N 3.16Å; D492-L494 VanDerWaalsContact C-N 3.3Å; D492-L494 PolarHBondContact O-N 3.27Å; L494-R498 VanDerWaalsContact O-CG 3.29Å; L494-R498 WeakPolarHBondContact O-CG 3.35Å; L494-R498 PolarHBondContact O-N 3.03Å; L494-V531 HydrophobicContact CD2-CG1 3.96Å; L494-I534 HydrophobicContact CD1-CG2 3.89Å; L494-I534 HydrophobicContact CD2-CG2 4.29Å; L494-I534 HydrophobicContact CG-CG2 3.8Å |
| 495 | S | 73.6 | Confident | 65.5 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -50.4 | 176.2 | -145.9 | 0 | 0 | 0 | 0 | 110.5 | K491 D492 Y497 R498 E499 | K491-S495 PolarHBondContact O-N 3.32Å; D492-S495 CarbonylContact O-C 3.44Å; D492-S495 WeakPolarHBondContact O-CA 3.15Å; D492-S495 WeakPolarHBondContact O-CB 3.3Å; D492-S495 PolarHBondContact O-N 3.22Å; S495-Y497 VanDerWaalsContact C-N 3.28Å; S495-Y497 PolarHBondContact O-N 3.1Å; S495-R498 CarbonylContact O-C 3.52Å; S495-R498 WeakPolarHBondContact O-CA 3.41Å; S495-R498 WeakPolarHBondContact O-CB 3.35Å; S495-R498 PolarHBondContact O-N 3.09Å; S495-E499 VanDerWaalsContact CB-OE1 3.32Å; S495-E499 WeakPolarHBondContact CB-OE1 3.39Å; S495-E499 WeakPolarHBondContact O-CB 3.33Å; S495-E499 WeakPolarHBondContact O-CG 3.2Å; S495-E499 PolarHBondContact O-N 3.25Å; S495-E499 PolarHBondContact OG-OE1 2.85Å |
| 496 | C | 67.5 | Low | 63.2 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -37 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | D492 R498 S500 | D492-C496 PolarHBondContact O-N 2.83Å; D492-C496 PolarHBondContact O-SG 2.85Å; D492-C496 VanDerWaalsContact O-SG 3.37Å; C496-R498 VanDerWaalsContact C-N 3.3Å; C496-R498 PolarHBondContact O-N 3.32Å; C496-S500 VanDerWaalsContact O-CB 3.24Å; C496-S500 WeakPolarHBondContact O-CB 3.27Å; C496-S500 PolarHBondContact O-N 2.95Å; C496-S500 PolarHBondContact O-OG 2.87Å |
| 497 | Y | 64.4 | Low | 61.1 | Low | 119 Ų | 119 | 98.4 Ų | 98.4 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -23.4 | 173.8 | -112.4 | -85.4 | 0 | 0 | 0 | 114.2 | T493 S495 | T493-Y497 WeakPolarHBondContact O-CB 3.48Å; T493-Y497 PolarHBondContact O-N 2.84Å; S495-Y497 VanDerWaalsContact C-N 3.28Å; S495-Y497 PolarHBondContact O-N 3.1Å |
| 498 | R | 66.7 | Low | 58.8 | Low | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -85.2 | -48.1 | 173.2 | -73.5 | 172.5 | -179.7 | -159.5 | 1.4 | 111.1 | L494 S495 C496 K501 G502 | L494-R498 VanDerWaalsContact O-CG 3.29Å; L494-R498 WeakPolarHBondContact O-CG 3.35Å; L494-R498 PolarHBondContact O-N 3.03Å; S495-R498 CarbonylContact O-C 3.52Å; S495-R498 WeakPolarHBondContact O-CA 3.41Å; S495-R498 WeakPolarHBondContact O-CB 3.35Å; S495-R498 PolarHBondContact O-N 3.09Å; C496-R498 VanDerWaalsContact C-N 3.3Å; C496-R498 PolarHBondContact O-N 3.32Å; R498-K501 CarbonylContact O-C 3.52Å; R498-K501 PolarHBondContact O-N 2.89Å; R498-K501 VanDerWaalsContact O-N 3.14Å; R498-G502 PolarHBondContact O-N 2.84Å |
| 499 | E | 62 | Low | 57.1 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.8 | -44.5 | -178.8 | -71.9 | 160.7 | -142.1 | 0 | 0 | 111.8 | S495 K501 G502 | S495-E499 VanDerWaalsContact CB-OE1 3.32Å; S495-E499 WeakPolarHBondContact CB-OE1 3.39Å; S495-E499 WeakPolarHBondContact O-CB 3.33Å; S495-E499 WeakPolarHBondContact O-CG 3.2Å; S495-E499 PolarHBondContact O-N 3.25Å; S495-E499 PolarHBondContact OG-OE1 2.85Å; E499-K501 PolarHBondContact O-N 2.81Å; E499-G502 PolarHBondContact O-N 2.81Å |
| 500 | S | 58.7 | Low | 54.7 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.2 | -10.6 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 115 | C496 | C496-S500 VanDerWaalsContact O-CB 3.24Å; C496-S500 WeakPolarHBondContact O-CB 3.27Å; C496-S500 PolarHBondContact O-N 2.95Å; C496-S500 PolarHBondContact O-OG 2.87Å |
| 501 | K | 51.9 | Low | 52.4 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -116.6 | 0.1 | 168.3 | -69.8 | -173.9 | 179.2 | -179.6 | 0 | 113.4 | R498 E499 D527 | R498-K501 CarbonylContact O-C 3.52Å; R498-K501 PolarHBondContact O-N 2.89Å; R498-K501 VanDerWaalsContact O-N 3.14Å; E499-K501 PolarHBondContact O-N 2.81Å; K501-D527 IonicContact NZ-OD2 3.8Å; K501-D527 PolarHBondContact NZ-OD2 3.05Å |
| 502 | G | 44.7 | Very low | 50.1 | Low | 48 Ų | 48 | 120 Ų | 120 | 50% | 0.495 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -84.3 | -9.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R498 E499 Q504 | R498-G502 PolarHBondContact O-N 2.84Å; E499-G502 PolarHBondContact O-N 2.81Å; G502-Q504 PolarHBondContact O-N 3.02Å |
| 503 | D | 39.8 | Very low | 48.2 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 90% | 0.898 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -71.9 | 13.1 | -179.9 | -121.3 | 5.7 | 0 | 0 | 0 | 114.1 | ||
| 504 | Q | 36.2 | Very low | 45.9 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -130.4 | 142.7 | 161 | -64.6 | -169 | 29.6 | 0 | 0 | 110.5 | G502 | G502-Q504 PolarHBondContact O-N 3.02Š|
| 505 | V | 36.1 | Very low | 43.7 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | 75.7 | 73 | -175.4 | -162.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 506 | S | 31.1 | Very low | 41.5 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -67.9 | 128.7 | 147.1 | -75.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 507 | V | 33 | Very low | 39.6 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | trans | -178 | 122.2 | 133.4 | 144.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 508 | K | 29.8 | Very low | 37.9 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 32.1 | 139.8 | 155.6 | -62.2 | -173.3 | 174.1 | -174.7 | 0 | 122.4 | ||||
| 509 | P | 43.6 | Very low | 36.1 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 148.5 | 174.1 | 37.2 | -33.9 | 0 | 0 | 0 | 113.6 | ||||
| 510 | E | 28.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -163.1 | 114.9 | 149.1 | -119.9 | 162.2 | -154.1 | 0 | 0 | 112.4 | ||||
| 511 | L | 28.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 43.1 | 150.5 | 144.9 | -63.3 | 170.7 | 0 | 0 | 0 | 125 | ||||
| 512 | D | 29.3 | Very low | 32.5 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 69.1 | 111.1 | 157.2 | -62.7 | -9.8 | 0 | 0 | 0 | 121.3 | ||||
| 513 | P | 36.9 | Very low | 32 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -99.3 | 107.2 | -178.4 | 36 | -31.1 | 0 | 0 | 0 | 114.1 | ||||
| 514 | I | 28.3 | Very low | 31.9 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 101.2 | 167.8 | -53.6 | -177.7 | 0 | 0 | 0 | 112 | ||||
| 515 | T | 27.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | 37.8 | 137 | 138.4 | -17.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 516 | I | 27.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 119.6 | 131.3 | 148.4 | -62.2 | 172.2 | 0 | 0 | 0 | 117.3 | ||||
| 517 | D | 27 | Very low | 34.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 56.6 | 112.5 | 160.5 | -76.8 | -7.6 | 0 | 0 | 0 | 125.6 | ||||
| 518 | L | 29.5 | Very low | 35.3 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | 41 | 96.6 | 111.5 | -60.4 | 175.6 | 0 | 0 | 0 | 119.1 | |||||
| 519 | G | 28.5 | Very low | 37.1 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -144.6 | 124.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 520 | K | 30.9 | Very low | 38.4 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -87.3 | 138.8 | 179.7 | -62.3 | 176.2 | 179.6 | 179.2 | 0 | 111.7 | ||||
| 521 | Q | 31.3 | Very low | 40.7 | Very low | 193 Ų | 193 | 118.6 Ų | 118.6 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -158.6 | 143.8 | 144.8 | -115 | 168.8 | 18 | 0 | 0 | 111.3 | ||||
| 522 | D | 34.4 | Very low | 42.9 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | trans | -92.4 | 115.3 | -165.4 | -56.6 | -87.2 | 0 | 0 | 0 | 113.5 | ||||
| 523 | V | 33.2 | Very low | 45.1 | Very low | 131 Ų | 131 | 113.2 Ų | 113.2 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | trans | -142.8 | 128.9 | 161.3 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 524 | S | 39.5 | Very low | 47 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | 40.7 | 89.3 | 169.2 | 61.4 | 0 | 0 | 0 | 0 | 117.7 | G526 | S524-G526 VanDerWaalsContact C-N 3.28Å; S524-G526 PolarHBondContact O-N 2.93Å; S524-G526 VanDerWaalsContact O-N 3.12Å | ||
| 525 | S | 47.4 | Very low | 49.5 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 90% | 0.895 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -81.2 | 23.6 | -175.1 | 62.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 526 | G | 52.8 | Low | 52 | Low | 39 Ų | 39 | 106.3 Ų | 106.3 | 40% | 0.402 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -91.4 | -76.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S524 S528 S529 | S524-G526 VanDerWaalsContact C-N 3.28Å; S524-G526 PolarHBondContact O-N 2.93Å; S524-G526 VanDerWaalsContact O-N 3.12Å; G526-S528 VanDerWaalsContact C-N 3.26Å; G526-S528 PolarHBondContact O-N 2.9Å; G526-S528 VanDerWaalsContact O-N 3.08Å; G526-S529 PolarHBondContact O-N 3.44Å; G526-S529 VanDerWaalsContact O-N 3.13Å; G526-S529 PolarHBondContact O-OG 2.82Å |
| 527 | D | 52 | Low | 54.5 | Low | 73 Ų | 73 | 103.9 Ų | 103.9 | 39% | 0.39 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.1 | -30.5 | -164.8 | -51.9 | 12.1 | 0 | 0 | 0 | 115.1 | K501 S529 T530 V531 | K501-D527 IonicContact NZ-OD2 3.8Å; K501-D527 PolarHBondContact NZ-OD2 3.05Å; D527-S529 PolarHBondContact O-N 3.35Å; D527-T530 PolarHBondContact O-N 2.83Å; D527-T530 PolarHBondContact O-OG1 2.94Å; D527-V531 PolarHBondContact O-N 2.81Å |
| 528 | S | 54.4 | Low | 57.1 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -31.8 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | G526 T530 N532 | G526-S528 VanDerWaalsContact C-N 3.26Å; G526-S528 PolarHBondContact O-N 2.9Å; G526-S528 VanDerWaalsContact O-N 3.08Å; S528-T530 VanDerWaalsContact C-N 3.35Å; S528-T530 PolarHBondContact O-N 2.94Å; S528-N532 WeakPolarHBondContact O-CB 3.39Å; S528-N532 PolarHBondContact O-N 2.87Å; S528-N532 VanDerWaalsContact O-N 3.11Å; S528-N532 PolarHBondContact O-ND2 2.94Å; S528-N532 VanDerWaalsContact O-ND2 3.15Å |
| 529 | S | 68 | Low | 59.6 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176 | 64.9 | 0 | 0 | 0 | 0 | 112 | G526 D527 T533 | G526-S529 PolarHBondContact O-N 3.44Å; G526-S529 VanDerWaalsContact O-N 3.13Å; G526-S529 PolarHBondContact O-OG 2.82Å; D527-S529 PolarHBondContact O-N 3.35Å; S529-T533 WeakPolarHBondContact O-CB 3.15Å; S529-T533 PolarHBondContact O-N 3.26Å; S529-T533 PolarHBondContact O-OG1 3.17Å |
| 530 | T | 71.6 | Confident | 62.3 | Low | 66 Ų | 66 | 96.2 Ų | 96.2 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -49 | -179.9 | -28.8 | 0 | 0 | 0 | 0 | 111.4 | D527 S528 N532 T533 I534 | D527-T530 PolarHBondContact O-N 2.83Å; D527-T530 PolarHBondContact O-OG1 2.94Å; S528-T530 VanDerWaalsContact C-N 3.35Å; S528-T530 PolarHBondContact O-N 2.94Å; T530-N532 PolarHBondContact O-N 3.06Å; T530-T533 PolarHBondContact O-N 3.46Å; T530-T533 VanDerWaalsContact O-N 3.17Å; T530-I534 HydrophobicContact CG2-CD1 4.28Å; T530-I534 WeakPolarHBondContact O-CG1 3.42Å; T530-I534 PolarHBondContact O-N 2.78Å |
| 531 | V | 75.2 | Confident | 64.6 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 29% | 0.285 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | L494 D527 T533 T535 | L494-V531 HydrophobicContact CD2-CG1 3.96Å; D527-V531 PolarHBondContact O-N 2.81Å; V531-T533 VanDerWaalsContact C-N 3.33Å; V531-T533 PolarHBondContact O-N 3.48Å; V531-T535 WeakPolarHBondContact O-CB 3.44Å; V531-T535 PolarHBondContact O-N 3.05Å; V531-T535 PolarHBondContact O-OG1 3.23Å |
| 532 | N | 75.3 | Confident | 66.9 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 177.3 | -69.9 | -21.5 | 0 | 0 | 0 | 112 | S528 T530 R536 | S528-N532 WeakPolarHBondContact O-CB 3.39Å; S528-N532 PolarHBondContact O-N 2.87Å; S528-N532 VanDerWaalsContact O-N 3.11Å; S528-N532 PolarHBondContact O-ND2 2.94Å; S528-N532 VanDerWaalsContact O-ND2 3.15Å; T530-N532 PolarHBondContact O-N 3.06Å; N532-R536 WeakPolarHBondContact O-CB 3.07Å; N532-R536 PolarHBondContact O-N 3.23Å; N532-R536 VanDerWaalsContact O-N 3.08Å |
| 533 | T | 77.1 | Confident | 69.3 | Low | 80 Ų | 80 | 78.8 Ų | 78.8 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.1 | -47.5 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | S529 T530 V531 R536 Q537 | S529-T533 WeakPolarHBondContact O-CB 3.15Å; S529-T533 PolarHBondContact O-N 3.26Å; S529-T533 PolarHBondContact O-OG1 3.17Å; T530-T533 PolarHBondContact O-N 3.46Å; T530-T533 VanDerWaalsContact O-N 3.17Å; V531-T533 VanDerWaalsContact C-N 3.33Å; V531-T533 PolarHBondContact O-N 3.48Å; T533-R536 PolarHBondContact O-N 3.04Å; T533-Q537 WeakPolarHBondContact O-CG 3.35Å; T533-Q537 PolarHBondContact O-N 2.97Å |
| 534 | I | 74.9 | Confident | 71.6 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.7 | -64.9 | 165.9 | 0 | 0 | 0 | 110.6 | L490 L494 T530 R536 Q537 V538 | L490-I534 HydrophobicContact CB-CG2 4.3Å; L490-I534 HydrophobicContact CD2-CG2 4.17Å; L494-I534 HydrophobicContact CD1-CG2 3.89Å; L494-I534 HydrophobicContact CD2-CG2 4.29Å; L494-I534 HydrophobicContact CG-CG2 3.8Å; T530-I534 HydrophobicContact CG2-CD1 4.28Å; T530-I534 WeakPolarHBondContact O-CG1 3.42Å; T530-I534 PolarHBondContact O-N 2.78Å; I534-R536 VanDerWaalsContact C-N 3.32Å; I534-R536 PolarHBondContact O-N 2.84Å; I534-Q537 WeakPolarHBondContact O-CB 3.36Å; I534-Q537 PolarHBondContact O-N 2.71Å; I534-Q537 VanDerWaalsContact O-N 3.09Å; I534-V538 PolarHBondContact O-N 3.39Å |
| 535 | T | 80.6 | Confident | 73.8 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 177 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | V531 Q537 V538 E539 | V531-T535 WeakPolarHBondContact O-CB 3.44Å; V531-T535 PolarHBondContact O-N 3.05Å; V531-T535 PolarHBondContact O-OG1 3.23Å; T535-Q537 VanDerWaalsContact C-N 3.33Å; T535-Q537 PolarHBondContact O-N 3.48Å; T535-V538 PolarHBondContact O-N 3.3Å; T535-E539 PolarHBondContact O-N 3.27Å |
| 536 | R | 80 | Confident | 75.4 | Confident | 174 Ų | 174 | 74.7 Ų | 74.7 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65 | -32.5 | 176.7 | -169.1 | -177 | -177.1 | 100.1 | -0.1 | 113.1 | N532 T533 I534 I540 | N532-R536 WeakPolarHBondContact O-CB 3.07Å; N532-R536 PolarHBondContact O-N 3.23Å; N532-R536 VanDerWaalsContact O-N 3.08Å; T533-R536 PolarHBondContact O-N 3.04Å; I534-R536 VanDerWaalsContact C-N 3.32Å; I534-R536 PolarHBondContact O-N 2.84Å; R536-I540 HydrophobicContact CG-CD1 4.22Å; R536-I540 WeakPolarHBondContact O-CD1 3.35Å; R536-I540 VanDerWaalsContact O-CG1 3.29Å; R536-I540 WeakPolarHBondContact O-CG1 3.24Å; R536-I540 PolarHBondContact O-N 3.48Å; R536-I540 VanDerWaalsContact O-N 3.16Å |
| 537 | Q | 80.3 | Confident | 76.8 | Confident | 96 Ų | 96 | 78 Ų | 78 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 173.4 | -74.7 | 175.1 | -24.5 | 0 | 0 | 111.6 | L490 T533 I534 T535 E539 I540 L541 | L490-Q537 HydrophobicContact CD1-CB 4.45Å; T533-Q537 WeakPolarHBondContact O-CG 3.35Å; T533-Q537 PolarHBondContact O-N 2.97Å; I534-Q537 WeakPolarHBondContact O-CB 3.36Å; I534-Q537 PolarHBondContact O-N 2.71Å; I534-Q537 VanDerWaalsContact O-N 3.09Å; T535-Q537 VanDerWaalsContact C-N 3.33Å; T535-Q537 PolarHBondContact O-N 3.48Å; Q537-E539 VanDerWaalsContact C-N 3.34Å; Q537-E539 PolarHBondContact O-N 2.98Å; Q537-I540 PolarHBondContact O-N 3.33Å; Q537-L541 WeakPolarHBondContact O-CG 3.26Å; Q537-L541 PolarHBondContact O-N 2.92Å |
| 538 | V | 81.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 75 Ų | 75 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | I487 L490 K491 I534 T535 L541 S542 | I487-V538 HydrophobicContact CG2-CG1 4.43Å; L490-V538 HydrophobicContact CB-CG2 3.48Å; L490-V538 VanDerWaalsContact CB-CG2 3.48Å; L490-V538 HydrophobicContact CD1-CG2 4.12Å; L490-V538 HydrophobicContact CG-CG2 4.45Å; K491-V538 HydrophobicContact CG-CG1 4.42Å; I534-V538 PolarHBondContact O-N 3.39Å; T535-V538 PolarHBondContact O-N 3.3Å; V538-L541 PolarHBondContact O-N 3.34Å; V538-S542 VanDerWaalsContact O-CB 3.32Å; V538-S542 WeakPolarHBondContact O-CB 3.27Å; V538-S542 PolarHBondContact O-N 3.06Å; V538-S542 PolarHBondContact O-OG 2.98Å |
| 539 | E | 82.5 | Confident | 79.1 | Confident | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.6 | -52.3 | 174.5 | -71.7 | 176.7 | 157.5 | 0 | 0 | 111.6 | T535 Q537 L541 S542 Q543 | T535-E539 PolarHBondContact O-N 3.27Å; Q537-E539 VanDerWaalsContact C-N 3.34Å; Q537-E539 PolarHBondContact O-N 2.98Å; E539-L541 PolarHBondContact O-N 2.84Å; E539-S542 PolarHBondContact O-N 3.33Å; E539-S542 PolarHBondContact O-OG 2.68Å; E539-Q543 PolarHBondContact O-N 2.63Å |
| 540 | I | 85.1 | Confident | 79.7 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | -179 | -69.1 | 165.9 | 0 | 0 | 0 | 111.9 | R536 Q537 K544 | R536-I540 HydrophobicContact CG-CD1 4.22Å; R536-I540 WeakPolarHBondContact O-CD1 3.35Å; R536-I540 VanDerWaalsContact O-CG1 3.29Å; R536-I540 WeakPolarHBondContact O-CG1 3.24Å; R536-I540 PolarHBondContact O-N 3.48Å; R536-I540 VanDerWaalsContact O-N 3.16Å; Q537-I540 PolarHBondContact O-N 3.33Å; I540-K544 HydrophobicContact CG2-CD 4.45Å; I540-K544 WeakPolarHBondContact O-CG 3.33Å; I540-K544 PolarHBondContact O-N 2.75Å |
| 541 | L | 78.4 | Confident | 80 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.12 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.2 | -70.6 | 170.8 | 0 | 0 | 0 | 111.4 | Y483 Q486 I487 L490 Q537 V538 E539 Q543 K544 L545 | Y483-L541 HydrophobicContact CD1-CD2 4.02Å; Y483-L541 HydrophobicContact CE1-CD2 4.29Å; Q486-L541 HydrophobicContact CB-CD1 4.19Å; I487-L541 HydrophobicContact CD1-CB 3.95Å; I487-L541 HydrophobicContact CG1-CB 3.69Å; L490-L541 HydrophobicContact CD1-CD1 3.74Å; Q537-L541 WeakPolarHBondContact O-CG 3.26Å; Q537-L541 PolarHBondContact O-N 2.92Å; V538-L541 PolarHBondContact O-N 3.34Å; E539-L541 PolarHBondContact O-N 2.84Å; L541-Q543 VanDerWaalsContact C-N 3.28Å; L541-Q543 PolarHBondContact O-N 3.19Å; L541-K544 PolarHBondContact O-N 2.97Å; L541-L545 PolarHBondContact O-N 3.42Å |
| 542 | S | 81.4 | Confident | 80 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.2 | -29.6 | 179.3 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | V538 E539 K546 | V538-S542 VanDerWaalsContact O-CB 3.32Å; V538-S542 WeakPolarHBondContact O-CB 3.27Å; V538-S542 PolarHBondContact O-N 3.06Å; V538-S542 PolarHBondContact O-OG 2.98Å; E539-S542 PolarHBondContact O-N 3.33Å; E539-S542 PolarHBondContact O-OG 2.68Å; S542-K546 PolarHBondContact O-N 2.91Å |
| 543 | Q | 83.8 | Confident | 80.1 | Confident | 115 Ų | 115 | 77.3 Ų | 77.3 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.1 | -48.5 | 170.8 | -179.9 | 175.5 | -16.9 | 0 | 0 | 111.2 | E539 L541 L545 K546 E547 | E539-Q543 PolarHBondContact O-N 2.63Å; L541-Q543 VanDerWaalsContact C-N 3.28Å; L541-Q543 PolarHBondContact O-N 3.19Å; Q543-L545 VanDerWaalsContact C-N 3.27Å; Q543-L545 PolarHBondContact O-N 3.4Å; Q543-K546 PolarHBondContact O-N 3.4Å; Q543-K546 VanDerWaalsContact O-N 3.16Å; Q543-E547 VanDerWaalsContact CG-OE1 3.31Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.31Å; Q543-E547 PolarHBondContact NE2-OE1 3.46Å; Q543-E547 WeakPolarHBondContact O-CG 3.43Å; Q543-E547 PolarHBondContact O-N 3.33Å |
| 544 | K | 82.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -35.4 | 178.8 | -73.1 | 176 | 178.2 | -178.6 | 0 | 113.1 | Y483 I540 L541 S548 | Y483-K544 HydrophobicContact CE2-CB 4.24Å; I540-K544 HydrophobicContact CG2-CD 4.45Å; I540-K544 WeakPolarHBondContact O-CG 3.33Å; I540-K544 PolarHBondContact O-N 2.75Å; L541-K544 PolarHBondContact O-N 2.97Å; K544-S548 WeakPolarHBondContact O-CB 3.5Å; K544-S548 PolarHBondContact O-N 3.5Å |
| 545 | L | 84.6 | Confident | 80.4 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -54 | 173.4 | 177.4 | 60.4 | 0 | 0 | 0 | 110.5 | C480 E484 I487 L541 Q543 E547 S548 E549 | C480-L545 HydrophobicContact CB-CD1 3.77Å; E484-L545 HydrophobicContact CG-CD1 3.97Å; E484-L545 HydrophobicContact CG-CD2 3.59Å; E484-L545 HydrophobicContact CG-CG 4.45Å; I487-L545 HydrophobicContact CD1-CB 4.4Å; I487-L545 HydrophobicContact CD1-CD2 4.08Å; L541-L545 PolarHBondContact O-N 3.42Å; Q543-L545 VanDerWaalsContact C-N 3.27Å; Q543-L545 PolarHBondContact O-N 3.4Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 PolarHBondContact O-N 3.24Å; L545-S548 CarbonylContact O-C 3.56Å; L545-S548 WeakPolarHBondContact O-CA 3.45Å; L545-S548 WeakPolarHBondContact O-CB 3.42Å; L545-S548 PolarHBondContact O-N 3.28Å; L545-S548 VanDerWaalsContact O-N 3.07Å; L545-E549 HydrophobicContact CD1-CG 4.21Å; L545-E549 HydrophobicContact CG-CG 4.38Å; L545-E549 WeakPolarHBondContact O-CG 3.26Å; L545-E549 PolarHBondContact O-N 2.93Å |
| 546 | K | 82 | Confident | 80.2 | Confident | 148 Ų | 148 | 80 Ų | 80 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 179 | -74.3 | -179.4 | 174 | 179.7 | 0 | 114 | S542 Q543 S548 E549 A550 | S542-K546 PolarHBondContact O-N 2.91Å; Q543-K546 PolarHBondContact O-N 3.4Å; Q543-K546 VanDerWaalsContact O-N 3.16Å; K546-S548 VanDerWaalsContact C-N 3.34Å; K546-E549 WeakPolarHBondContact CA-OE2 3.34Å; K546-E549 PolarHBondContact O-N 2.87Å; K546-A550 WeakPolarHBondContact O-CB 3.37Å; K546-A550 PolarHBondContact O-N 2.9Å |
| 547 | E | 82 | Confident | 80.2 | Confident | 108 Ų | 108 | 74.8 Ų | 74.8 | 51% | 0.505 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.8 | -70.4 | 168.5 | -179.8 | 0 | 0 | 111.1 | Q543 L545 Q551 | Q543-E547 VanDerWaalsContact CG-OE1 3.31Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.31Å; Q543-E547 PolarHBondContact NE2-OE1 3.46Å; Q543-E547 WeakPolarHBondContact O-CG 3.43Å; Q543-E547 PolarHBondContact O-N 3.33Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 PolarHBondContact O-N 3.24Å; E547-Q551 PolarHBondContact O-N 2.97Å |
| 548 | S | 74.3 | Confident | 80 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 176.4 | -165.6 | 0 | 0 | 0 | 0 | 113 | C480 K544 L545 K546 Q551 N552 | C480-S548 PolarHBondContact SG-OG 2.64Å; C480-S548 VanDerWaalsContact SG-OG 3.36Å; K544-S548 WeakPolarHBondContact O-CB 3.5Å; K544-S548 PolarHBondContact O-N 3.5Å; L545-S548 CarbonylContact O-C 3.56Å; L545-S548 WeakPolarHBondContact O-CA 3.45Å; L545-S548 WeakPolarHBondContact O-CB 3.42Å; L545-S548 PolarHBondContact O-N 3.28Å; L545-S548 VanDerWaalsContact O-N 3.07Å; K546-S548 VanDerWaalsContact C-N 3.34Å; S548-Q551 PolarHBondContact O-N 3.48Å; S548-N552 WeakPolarHBondContact O-CB 3.15Å; S548-N552 PolarHBondContact O-N 3.03Å; S548-N552 PolarHBondContact O-ND2 3.04Å |
| 549 | E | 80.2 | Confident | 79.7 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 173.6 | -72.3 | 173.3 | 148.2 | 0 | 0 | 111.8 | L545 K546 Q551 N552 Q553 | L545-E549 HydrophobicContact CD1-CG 4.21Å; L545-E549 HydrophobicContact CG-CG 4.38Å; L545-E549 WeakPolarHBondContact O-CG 3.26Å; L545-E549 PolarHBondContact O-N 2.93Å; K546-E549 WeakPolarHBondContact CA-OE2 3.34Å; K546-E549 PolarHBondContact O-N 2.87Å; E549-Q551 VanDerWaalsContact C-N 3.31Å; E549-Q551 PolarHBondContact O-N 3.36Å; E549-N552 WeakPolarHBondContact O-CB 3.2Å; E549-N552 PolarHBondContact O-N 3.49Å; E549-Q553 WeakPolarHBondContact O-CG 3.15Å; E549-Q553 PolarHBondContact O-N 2.72Å |
| 550 | A | 80.6 | Confident | 79.5 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K546 Q553 L554 | K546-A550 WeakPolarHBondContact O-CB 3.37Å; K546-A550 PolarHBondContact O-N 2.9Å; A550-Q553 PolarHBondContact O-N 3.18Å; A550-L554 PolarHBondContact O-N 3.08Å; A550-L554 VanDerWaalsContact O-N 3.16Å |
| 551 | Q | 77.8 | Confident | 79.4 | Confident | 111 Ų | 111 | 73.3 Ų | 73.3 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.7 | -169.1 | 173.6 | 16.6 | 0 | 0 | 112 | E547 S548 E549 Q553 L554 I555 | E547-Q551 PolarHBondContact O-N 2.97Å; S548-Q551 PolarHBondContact O-N 3.48Å; E549-Q551 VanDerWaalsContact C-N 3.31Å; E549-Q551 PolarHBondContact O-N 3.36Å; Q551-Q553 PolarHBondContact O-N 2.91Å; Q551-L554 PolarHBondContact O-N 3.41Å; Q551-I555 HydrophobicContact CG-CD1 4.01Å; Q551-I555 WeakPolarHBondContact O-CG1 3.41Å; Q551-I555 PolarHBondContact O-N 3.48Å |
| 552 | N | 74.2 | Confident | 79 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.2 | -89.1 | -39 | 0 | 0 | 0 | 112.6 | L476 C480 S548 E549 I555 S556 | L476-N552 WeakPolarHBondContact CB-OD1 3.46Å; L476-N552 PolarHBondContact O-ND2 2.99Å; C480-N552 PolarHBondContact SG-ND2 3.34Å; S548-N552 WeakPolarHBondContact O-CB 3.15Å; S548-N552 PolarHBondContact O-N 3.03Å; S548-N552 PolarHBondContact O-ND2 3.04Å; E549-N552 WeakPolarHBondContact O-CB 3.2Å; E549-N552 PolarHBondContact O-N 3.49Å; N552-I555 PolarHBondContact O-N 2.95Å; N552-S556 PolarHBondContact O-N 2.92Å |
| 553 | Q | 79.1 | Confident | 78.7 | Confident | 141 Ų | 141 | 78.7 Ų | 78.7 | 66% | 0.659 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 177.5 | -70.6 | 175.8 | 16.7 | 0 | 0 | 112 | E549 A550 Q551 S556 A557 | E549-Q553 WeakPolarHBondContact O-CG 3.15Å; E549-Q553 PolarHBondContact O-N 2.72Å; A550-Q553 PolarHBondContact O-N 3.18Å; Q551-Q553 PolarHBondContact O-N 2.91Å; Q553-S556 PolarHBondContact O-N 3.43Å; Q553-A557 PolarHBondContact O-N 3.32Å |
| 554 | L | 80.8 | Confident | 78.6 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 178.1 | -175.4 | 64.4 | 0 | 0 | 0 | 112.3 | A550 Q551 T558 | A550-L554 PolarHBondContact O-N 3.08Å; A550-L554 VanDerWaalsContact O-N 3.16Å; Q551-L554 PolarHBondContact O-N 3.41Å; L554-T558 PolarHBondContact O-N 2.91Å; L554-T558 VanDerWaalsContact O-N 3.16Å; L554-T558 PolarHBondContact O-OG1 3.34Å |
| 555 | I | 76.1 | Confident | 78.4 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 18% | 0.179 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.4 | -67.6 | 168.8 | 0 | 0 | 0 | 110.6 | I473 L476 Q551 N552 A557 T558 V559 | I473-I555 HydrophobicContact CD1-CG2 3.97Å; I473-I555 HydrophobicContact CG1-CG2 3.8Å; L476-I555 HydrophobicContact CD1-CD1 3.87Å; Q551-I555 HydrophobicContact CG-CD1 4.01Å; Q551-I555 WeakPolarHBondContact O-CG1 3.41Å; Q551-I555 PolarHBondContact O-N 3.48Å; N552-I555 PolarHBondContact O-N 2.95Å; I555-A557 PolarHBondContact O-N 2.97Å; I555-T558 WeakPolarHBondContact O-CB 3.19Å; I555-T558 PolarHBondContact O-N 2.89Å; I555-T558 VanDerWaalsContact O-N 3.15Å; I555-V559 WeakPolarHBondContact O-CG2 3Å; I555-V559 PolarHBondContact O-N 2.87Å |
| 556 | S | 76.6 | Confident | 78 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 178 | -162 | 0 | 0 | 0 | 0 | 111.8 | N552 Q553 T558 V559 D560 | N552-S556 PolarHBondContact O-N 2.92Å; Q553-S556 PolarHBondContact O-N 3.43Å; S556-T558 PolarHBondContact O-N 2.71Å; S556-V559 WeakPolarHBondContact O-CB 3.45Å; S556-V559 PolarHBondContact O-N 3.14Å; S556-D560 PolarHBondContact O-N 3.07Å |
| 557 | A | 80.3 | Confident | 77.9 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 52% | 0.521 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.3 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q553 I555 L561 | Q553-A557 PolarHBondContact O-N 3.32Å; I555-A557 PolarHBondContact O-N 2.97Å; A557-L561 WeakPolarHBondContact O-CB 3.3Å; A557-L561 PolarHBondContact O-N 3.38Å; A557-L561 VanDerWaalsContact O-N 3.12Å |
| 558 | T | 76.8 | Confident | 77.7 | Confident | 71 Ų | 71 | 79 Ų | 79 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 174.6 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | L554 I555 S556 L562 | L554-T558 PolarHBondContact O-N 2.91Å; L554-T558 VanDerWaalsContact O-N 3.16Å; L554-T558 PolarHBondContact O-OG1 3.34Å; I555-T558 WeakPolarHBondContact O-CB 3.19Å; I555-T558 PolarHBondContact O-N 2.89Å; I555-T558 VanDerWaalsContact O-N 3.15Å; S556-T558 PolarHBondContact O-N 2.71Å; T558-L562 HydrophobicContact CG2-CD1 4.23Å; T558-L562 VanDerWaalsContact O-CG 3.31Å; T558-L562 WeakPolarHBondContact O-CG 3.1Å; T558-L562 PolarHBondContact O-N 2.74Å; T558-L562 VanDerWaalsContact O-N 3.1Å |
| 559 | V | 74 | Confident | 77.6 | Confident | 21 Ų | 21 | 83 Ų | 83 | 13% | 0.127 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | L469 I473 I555 S556 L561 L562 K563 | L469-V559 HydrophobicContact CD2-CG2 3.64Å; L469-V559 HydrophobicContact CG-CG2 4.24Å; I473-V559 HydrophobicContact CD1-CG2 3.82Å; I555-V559 WeakPolarHBondContact O-CG2 3Å; I555-V559 PolarHBondContact O-N 2.87Å; S556-V559 WeakPolarHBondContact O-CB 3.45Å; S556-V559 PolarHBondContact O-N 3.14Å; V559-L561 VanDerWaalsContact C-N 3.35Å; V559-L562 PolarHBondContact O-N 3.5Å; V559-K563 HydrophobicContact CG1-CD 4.2Å; V559-K563 WeakPolarHBondContact O-CG 3.37Å; V559-K563 PolarHBondContact O-N 2.85Å |
| 560 | D | 79.1 | Confident | 77.1 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.6 | -33.1 | -177.9 | -61.2 | -37.9 | 0 | 0 | 0 | 111.7 | S556 K563 N564 | S556-D560 PolarHBondContact O-N 3.07Å; D560-K563 IonicContact OD1-NZ 3.08Å; D560-N564 VanDerWaalsContact O-CG 3.3Å; D560-N564 PolarHBondContact O-N 2.83Å; D560-N564 PolarHBondContact O-ND2 3.47Å |
| 561 | L | 82.2 | Confident | 77.2 | Confident | 117 Ų | 117 | 87.7 Ų | 87.7 | 61% | 0.613 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.1 | -48.5 | 168.8 | -168.8 | 76 | 0 | 0 | 0 | 111.8 | A557 V559 K563 N564 E565 | A557-L561 WeakPolarHBondContact O-CB 3.3Å; A557-L561 PolarHBondContact O-N 3.38Å; A557-L561 VanDerWaalsContact O-N 3.12Å; V559-L561 VanDerWaalsContact C-N 3.35Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 2.79Å; L561-N564 PolarHBondContact O-N 3.29Å; L561-E565 PolarHBondContact O-N 3.28Å |
| 562 | L | 70 | Confident | 77.2 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.9 | -31.3 | -179.7 | -73.3 | 169.6 | 0 | 0 | 0 | 113.1 | T558 V559 L566 | T558-L562 HydrophobicContact CG2-CD1 4.23Å; T558-L562 VanDerWaalsContact O-CG 3.31Å; T558-L562 WeakPolarHBondContact O-CG 3.1Å; T558-L562 PolarHBondContact O-N 2.74Å; T558-L562 VanDerWaalsContact O-N 3.1Å; V559-L562 PolarHBondContact O-N 3.5Å; L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.06Å; L562-L566 PolarHBondContact O-N 3.09Å |
| 563 | K | 76.8 | Confident | 77 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 173 | -76.5 | 172.8 | -179.6 | 168.7 | 0 | 112.1 | V559 D560 L561 L566 S567 | V559-K563 HydrophobicContact CG1-CD 4.2Å; V559-K563 WeakPolarHBondContact O-CG 3.37Å; V559-K563 PolarHBondContact O-N 2.85Å; D560-K563 IonicContact OD1-NZ 3.08Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 2.79Å; K563-L566 PolarHBondContact O-N 2.99Å; K563-S567 PolarHBondContact O-N 3.13Å |
| 564 | N | 80.4 | Confident | 76.9 | Confident | 115 Ų | 115 | 91 Ų | 91 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 176.4 | -67.2 | -24.1 | 0 | 0 | 0 | 111 | D560 L561 L566 S567 E568 | D560-N564 VanDerWaalsContact O-CG 3.3Å; D560-N564 PolarHBondContact O-N 2.83Å; D560-N564 PolarHBondContact O-ND2 3.47Å; L561-N564 PolarHBondContact O-N 3.29Å; N564-L566 VanDerWaalsContact C-N 3.34Å; N564-L566 PolarHBondContact O-N 3.32Å; N564-S567 WeakPolarHBondContact O-CB 3.45Å; N564-S567 PolarHBondContact O-N 3.5Å; N564-E568 PolarHBondContact O-N 3.08Å |
| 565 | E | 79.6 | Confident | 77 | Confident | 100 Ų | 100 | 91.2 Ų | 91.2 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.3 | -168.2 | -179.1 | 169.5 | 0 | 0 | 111.5 | L561 S567 E568 Q569 | L561-E565 PolarHBondContact O-N 3.28Å; E565-S567 VanDerWaalsContact C-N 3.34Å; E565-S567 PolarHBondContact O-N 3.05Å; E565-E568 PolarHBondContact O-N 2.97Å; E565-Q569 VanDerWaalsContact O-CG 3.26Å; E565-Q569 WeakPolarHBondContact O-CG 3.04Å; E565-Q569 PolarHBondContact O-N 2.95Å |
| 566 | L | 74.8 | Confident | 76.7 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.5 | -177.6 | 63.5 | 0 | 0 | 0 | 112.4 | L562 K563 N564 Q569 H570 | L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.06Å; L562-L566 PolarHBondContact O-N 3.09Å; K563-L566 PolarHBondContact O-N 2.99Å; N564-L566 VanDerWaalsContact C-N 3.34Å; N564-L566 PolarHBondContact O-N 3.32Å; L566-Q569 PolarHBondContact O-N 3.07Å; L566-H570 PolarHBondContact O-CD2 2.87Å; L566-H570 PolarHBondContact O-N 3.43Å; L566-H570 VanDerWaalsContact O-N 3.09Å |
| 567 | S | 79.5 | Confident | 76.4 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.2 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | K563 N564 E565 Q569 H570 E571 | K563-S567 PolarHBondContact O-N 3.13Å; N564-S567 WeakPolarHBondContact O-CB 3.45Å; N564-S567 PolarHBondContact O-N 3.5Å; E565-S567 VanDerWaalsContact C-N 3.34Å; E565-S567 PolarHBondContact O-N 3.05Å; S567-Q569 VanDerWaalsContact C-N 3.34Å; S567-Q569 PolarHBondContact O-N 3.44Å; S567-H570 WeakPolarHBondContact O-CA 3.45Å; S567-H570 WeakPolarHBondContact O-CB 3.44Å; S567-H570 PolarHBondContact O-N 2.91Å; S567-E571 PolarHBondContact O-N 3.08Å |
| 568 | E | 79.1 | Confident | 76.2 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.6 | -172 | 179 | -174.8 | 0 | 0 | 111.4 | N564 E565 H570 E571 I572 | N564-E568 PolarHBondContact O-N 3.08Å; E565-E568 PolarHBondContact O-N 2.97Å; E568-H570 PolarHBondContact O-N 3.39Å; E568-E571 PolarHBondContact O-N 3.27Å; E568-I572 HydrophobicContact CG-CD1 4Å; E568-I572 WeakPolarHBondContact O-CB 3.42Å; E568-I572 VanDerWaalsContact O-CG1 3.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.49Å; E568-I572 PolarHBondContact O-N 3.4Å |
| 569 | Q | 70.7 | Confident | 76.2 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68 | -15 | 173.9 | -66.3 | -60.2 | -50.3 | 0 | 0 | 114 | E565 L566 S567 R573 | E565-Q569 VanDerWaalsContact O-CG 3.26Å; E565-Q569 WeakPolarHBondContact O-CG 3.04Å; E565-Q569 PolarHBondContact O-N 2.95Å; L566-Q569 PolarHBondContact O-N 3.07Å; S567-Q569 VanDerWaalsContact C-N 3.34Å; S567-Q569 PolarHBondContact O-N 3.44Å; Q569-R573 WeakPolarHBondContact O-CB 3.39Å |
| 570 | H | 70.8 | Confident | 76 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -85.6 | -45.6 | 171.1 | -96.4 | -95.3 | 0 | 0 | 0 | 111.8 | L566 S567 E568 I572 R573 E574 | L566-H570 PolarHBondContact O-CD2 2.87Å; L566-H570 PolarHBondContact O-N 3.43Å; L566-H570 VanDerWaalsContact O-N 3.09Å; S567-H570 WeakPolarHBondContact O-CA 3.45Å; S567-H570 WeakPolarHBondContact O-CB 3.44Å; S567-H570 PolarHBondContact O-N 2.91Å; E568-H570 PolarHBondContact O-N 3.39Å; H570-I572 PolarHBondContact O-N 3.04Å; H570-R573 WeakPolarHBondContact O-CB 3.38Å; H570-R573 PolarHBondContact O-N 3.3Å; H570-E574 PolarHBondContact O-N 2.96Å |
| 571 | E | 81.5 | Confident | 75.7 | Confident | 140 Ų | 140 | 103.2 Ų | 103.2 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 174.4 | -68.7 | -170 | 158 | 0 | 0 | 112.1 | S567 E568 R573 E574 K575 | S567-E571 PolarHBondContact O-N 3.08Å; E568-E571 PolarHBondContact O-N 3.27Å; E571-R573 PolarHBondContact O-N 3.5Å; E571-E574 PolarHBondContact O-N 3.14Å; E571-K575 WeakPolarHBondContact O-CB 3.43Å; E571-K575 PolarHBondContact O-N 3.49Å |
| 572 | I | 77.8 | Confident | 75.3 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 174.8 | -69.8 | 167.6 | 0 | 0 | 0 | 111 | E568 H570 L576 | E568-I572 HydrophobicContact CG-CD1 4Å; E568-I572 WeakPolarHBondContact O-CB 3.42Å; E568-I572 VanDerWaalsContact O-CG1 3.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.49Å; E568-I572 PolarHBondContact O-N 3.4Å; H570-I572 PolarHBondContact O-N 3.04Å; I572-L576 HydrophobicContact CG2-CD1 3.92Å; I572-L576 WeakPolarHBondContact O-CB 3.38Å; I572-L576 VanDerWaalsContact O-CG 3.3Å; I572-L576 WeakPolarHBondContact O-CG 3.35Å; I572-L576 PolarHBondContact O-N 2.94Å |
| 573 | R | 70.2 | Confident | 75 | Confident | 129 Ų | 129 | 102.3 Ų | 102.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73 | -45.4 | -179.3 | -167.2 | -172.8 | -50.2 | -173.9 | 9.9 | 112.4 | Q569 H570 E571 K575 L576 Q577 | Q569-R573 WeakPolarHBondContact O-CB 3.39Å; H570-R573 WeakPolarHBondContact O-CB 3.38Å; H570-R573 PolarHBondContact O-N 3.3Å; E571-R573 PolarHBondContact O-N 3.5Å; R573-K575 VanDerWaalsContact C-N 3.29Å; R573-K575 PolarHBondContact O-N 2.71Å; R573-L576 PolarHBondContact O-N 3.29Å; R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 PolarHBondContact O-N 3.44Å |
| 574 | E | 78.6 | Confident | 74.3 | Confident | 142 Ų | 142 | 103.8 Ų | 103.8 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 176 | -71.4 | -157.5 | 135.6 | 0 | 0 | 111.7 | H570 E571 Q577 S578 | H570-E574 PolarHBondContact O-N 2.96Å; E571-E574 PolarHBondContact O-N 3.14Å; E574-Q577 PolarHBondContact O-N 3.33Å; E574-S578 PolarHBondContact O-N 3.35Å; E574-S578 PolarHBondContact O-OG 2.81Å |
| 575 | K | 81.6 | Confident | 74.1 | Confident | 131 Ų | 131 | 103.7 Ų | 103.7 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 175.8 | -166.9 | -177.7 | -176.6 | -104.6 | 0 | 111.8 | E571 R573 Q577 S578 E579 | E571-K575 WeakPolarHBondContact O-CB 3.43Å; E571-K575 PolarHBondContact O-N 3.49Å; R573-K575 VanDerWaalsContact C-N 3.29Å; R573-K575 PolarHBondContact O-N 2.71Å; K575-Q577 VanDerWaalsContact C-N 3.29Å; K575-Q577 PolarHBondContact O-N 2.88Å; K575-S578 PolarHBondContact O-N 2.99Å; K575-E579 WeakPolarHBondContact CE-OE1 3.38Å; K575-E579 IonicContact NZ-OE1 3.67Å; K575-E579 PolarHBondContact NZ-OE1 3.07Å; K575-E579 WeakPolarHBondContact O-CG 3.22Å; K575-E579 PolarHBondContact O-N 3.39Å |
| 576 | L | 70.9 | Confident | 73.8 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -35.8 | 176.7 | -75.2 | 170.2 | 0 | 0 | 0 | 112.4 | I572 R573 E579 V580 | I572-L576 HydrophobicContact CG2-CD1 3.92Å; I572-L576 WeakPolarHBondContact O-CB 3.38Å; I572-L576 VanDerWaalsContact O-CG 3.3Å; I572-L576 WeakPolarHBondContact O-CG 3.35Å; I572-L576 PolarHBondContact O-N 2.94Å; R573-L576 PolarHBondContact O-N 3.29Å; L576-E579 PolarHBondContact O-N 3.48Å; L576-V580 WeakPolarHBondContact O-CG2 3.35Å; L576-V580 PolarHBondContact O-N 3.45Å |
| 577 | Q | 69.8 | Low | 73.3 | Confident | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -38.1 | 176.2 | -174 | 171.9 | -27.4 | 0 | 0 | 112 | R573 E574 K575 V580 Q581 | R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 PolarHBondContact O-N 3.44Å; E574-Q577 PolarHBondContact O-N 3.33Å; K575-Q577 VanDerWaalsContact C-N 3.29Å; K575-Q577 PolarHBondContact O-N 2.88Å; Q577-V580 PolarHBondContact O-N 3.37Å; Q577-Q581 PolarHBondContact O-N 2.98Å |
| 578 | S | 75.5 | Confident | 72.8 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 174 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | E574 K575 Q581 A582 | E574-S578 PolarHBondContact O-N 3.35Å; E574-S578 PolarHBondContact O-OG 2.81Å; K575-S578 PolarHBondContact O-N 2.99Å; S578-Q581 PolarHBondContact O-N 2.81Å; S578-A582 PolarHBondContact O-N 3.47Å; S578-A582 VanDerWaalsContact O-N 3.09Å |
| 579 | E | 78.3 | Confident | 72.6 | Confident | 74 Ų | 74 | 105.5 Ų | 105.5 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174 | -73.1 | 172.7 | -174.1 | 0 | 0 | 111.2 | K575 L576 A582 F583 | K575-E579 WeakPolarHBondContact CE-OE1 3.38Å; K575-E579 IonicContact NZ-OE1 3.67Å; K575-E579 PolarHBondContact NZ-OE1 3.07Å; K575-E579 WeakPolarHBondContact O-CG 3.22Å; K575-E579 PolarHBondContact O-N 3.39Å; L576-E579 PolarHBondContact O-N 3.48Å; E579-A582 PolarHBondContact O-N 3.18Å; E579-F583 WeakPolarHBondContact O-CD2 3.42Å; E579-F583 PolarHBondContact O-N 3.34Å; E579-F583 VanDerWaalsContact O-N 3.16Å |
| 580 | V | 68.6 | Low | 72.5 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | L576 Q577 A582 F583 E584 | L576-V580 WeakPolarHBondContact O-CG2 3.35Å; L576-V580 PolarHBondContact O-N 3.45Å; Q577-V580 PolarHBondContact O-N 3.37Å; V580-A582 VanDerWaalsContact C-N 3.32Å; V580-A582 PolarHBondContact O-N 3.37Å; V580-F583 PolarHBondContact O-N 2.87Å; V580-E584 HydrophobicContact CG1-CG 4.42Å; V580-E584 PolarHBondContact O-N 2.68Å |
| 581 | Q | 71.9 | Confident | 72.3 | Confident | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | -180 | -173.4 | -178.7 | -28.4 | 0 | 0 | 111.9 | Q577 S578 F583 E584 E585 | Q577-Q581 PolarHBondContact O-N 2.98Å; S578-Q581 PolarHBondContact O-N 2.81Å; Q581-F583 VanDerWaalsContact C-N 3.34Å; Q581-F583 PolarHBondContact O-N 3.3Å; Q581-E584 PolarHBondContact O-N 2.8Å; Q581-E585 PolarHBondContact NE2-OE1 3.46Å; Q581-E585 PolarHBondContact O-N 3.47Å |
| 582 | A | 75.3 | Confident | 71.9 | Confident | 59 Ų | 59 | 103.7 Ų | 103.7 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S578 E579 V580 E586 | S578-A582 PolarHBondContact O-N 3.47Å; S578-A582 VanDerWaalsContact O-N 3.09Å; E579-A582 PolarHBondContact O-N 3.18Å; V580-A582 VanDerWaalsContact C-N 3.32Å; V580-A582 PolarHBondContact O-N 3.37Å; A582-E586 PolarHBondContact O-N 3.47Å |
| 583 | F | 64 | Low | 71.6 | Confident | 128 Ų | 128 | 107.3 Ų | 107.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -32.8 | 174.4 | -72.2 | -55.8 | 0 | 0 | 0 | 113.2 | E579 V580 Q581 N587 | E579-F583 WeakPolarHBondContact O-CD2 3.42Å; E579-F583 PolarHBondContact O-N 3.34Å; E579-F583 VanDerWaalsContact O-N 3.16Å; V580-F583 PolarHBondContact O-N 2.87Å; Q581-F583 VanDerWaalsContact C-N 3.34Å; Q581-F583 PolarHBondContact O-N 3.3Å; F583-N587 WeakPolarHBondContact O-CB 3.24Å; F583-N587 PolarHBondContact O-N 3.3Å |
| 584 | E | 61.9 | Low | 71.6 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 174.2 | -72.9 | -176 | 155.9 | 0 | 0 | 111.4 | V580 Q581 N587 E588 | V580-E584 HydrophobicContact CG1-CG 4.42Å; V580-E584 PolarHBondContact O-N 2.68Å; Q581-E584 PolarHBondContact O-N 2.8Å; E584-N587 PolarHBondContact O-N 3.41Å; E584-E588 PolarHBondContact O-N 3.26Å |
| 585 | E | 75.2 | Confident | 71.3 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.1 | -70.9 | 179.4 | -155.3 | 0 | 0 | 111.9 | Q581 N587 E588 T589 | Q581-E585 PolarHBondContact NE2-OE1 3.46Å; Q581-E585 PolarHBondContact O-N 3.47Å; E585-N587 PolarHBondContact O-N 3.02Å; E585-E588 PolarHBondContact O-N 2.91Å; E585-T589 WeakPolarHBondContact O-CG2 3.37Å; E585-T589 PolarHBondContact O-N 3.38Å |
| 586 | E | 73.4 | Confident | 71.1 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.2 | -178.3 | 167.3 | -143.1 | 0 | 0 | 111.7 | A582 E588 T589 L590 | A582-E586 PolarHBondContact O-N 3.47Å; E586-E588 VanDerWaalsContact C-N 3.33Å; E586-E588 PolarHBondContact O-N 2.89Å; E586-T589 PolarHBondContact O-N 2.91Å; E586-T589 VanDerWaalsContact O-N 3.12Å; E586-T589 PolarHBondContact O-OG1 2.86Å; E586-L590 HydrophobicContact CG-CD1 4.19Å; E586-L590 PolarHBondContact O-N 3.45Å |
| 587 | N | 64.8 | Low | 71.3 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 179 | 180 | 54 | 0 | 0 | 0 | 112.7 | F583 E584 E585 L590 C591 | F583-N587 WeakPolarHBondContact O-CB 3.24Å; F583-N587 PolarHBondContact O-N 3.3Å; E584-N587 PolarHBondContact O-N 3.41Å; E585-N587 PolarHBondContact O-N 3.02Å; N587-L590 PolarHBondContact O-N 3.25Å; N587-C591 WeakPolarHBondContact O-CB 3.24Å; N587-C591 PolarHBondContact O-N 2.99Å |
| 588 | E | 68.8 | Low | 71.4 | Confident | 147 Ų | 147 | 93.1 Ų | 93.1 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 173.3 | -170.2 | 174.4 | -164 | 0 | 0 | 111.5 | E584 E585 E586 L590 C591 K592 | E584-E588 PolarHBondContact O-N 3.26Å; E585-E588 PolarHBondContact O-N 2.91Å; E586-E588 VanDerWaalsContact C-N 3.33Å; E586-E588 PolarHBondContact O-N 2.89Å; E588-L590 VanDerWaalsContact C-N 3.35Å; E588-L590 PolarHBondContact O-N 3.42Å; E588-C591 PolarHBondContact O-N 3.1Å; E588-K592 WeakPolarHBondContact O-CB 3.3Å; E588-K592 PolarHBondContact O-N 2.95Å |
| 589 | T | 75 | Confident | 71.5 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 176 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | E585 E586 K592 R593 | E585-T589 WeakPolarHBondContact O-CG2 3.37Å; E585-T589 PolarHBondContact O-N 3.38Å; E586-T589 PolarHBondContact O-N 2.91Å; E586-T589 VanDerWaalsContact O-N 3.12Å; E586-T589 PolarHBondContact O-OG1 2.86Å; T589-K592 PolarHBondContact O-N 2.87Å; T589-R593 WeakPolarHBondContact O-CG 3.15Å; T589-R593 PolarHBondContact O-N 3.05Å |
| 590 | L | 68.1 | Low | 71.6 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 176.4 | -70.5 | 173.5 | 0 | 0 | 0 | 111.7 | E586 N587 E588 K592 R593 A594 | E586-L590 HydrophobicContact CG-CD1 4.19Å; E586-L590 PolarHBondContact O-N 3.45Å; N587-L590 PolarHBondContact O-N 3.25Å; E588-L590 VanDerWaalsContact C-N 3.35Å; E588-L590 PolarHBondContact O-N 3.42Å; L590-K592 VanDerWaalsContact C-N 3.3Å; L590-K592 PolarHBondContact O-N 2.96Å; L590-R593 PolarHBondContact O-N 3.02Å; L590-A594 WeakPolarHBondContact O-CB 3.38Å; L590-A594 PolarHBondContact O-N 3.47Å |
| 591 | C | 66.3 | Low | 72.1 | Confident | 76 Ų | 76 | 89 Ų | 89 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 173.7 | -81.9 | 0 | 0 | 0 | 0 | 112.3 | N587 E588 A594 S595 | N587-C591 WeakPolarHBondContact O-CB 3.24Å; N587-C591 PolarHBondContact O-N 2.99Å; E588-C591 PolarHBondContact O-N 3.1Å; C591-A594 PolarHBondContact O-N 2.91Å; C591-S595 PolarHBondContact O-N 2.94Å |
| 592 | K | 74.3 | Confident | 72.3 | Confident | 141 Ų | 141 | 90.6 Ų | 90.6 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.7 | -50.8 | 176 | -170.8 | 172 | -177 | 174.2 | 0 | 112 | E588 T589 L590 A594 S595 D596 | E588-K592 WeakPolarHBondContact O-CB 3.3Å; E588-K592 PolarHBondContact O-N 2.95Å; T589-K592 PolarHBondContact O-N 2.87Å; L590-K592 VanDerWaalsContact C-N 3.3Å; L590-K592 PolarHBondContact O-N 2.96Å; K592-A594 VanDerWaalsContact C-N 3.3Å; K592-A594 PolarHBondContact O-N 2.98Å; K592-S595 WeakPolarHBondContact O-CB 3.34Å; K592-S595 PolarHBondContact O-N 2.98Å; K592-S595 VanDerWaalsContact O-N 3.09Å; K592-D596 PolarHBondContact O-N 2.85Å |
| 593 | R | 71.9 | Confident | 72.7 | Confident | 148 Ų | 148 | 93.5 Ų | 93.5 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -37.5 | 177.4 | -71.5 | -179.9 | 68.9 | 178.6 | 0.6 | 112.8 | T589 L590 D596 A597 | T589-R593 WeakPolarHBondContact O-CG 3.15Å; T589-R593 PolarHBondContact O-N 3.05Å; L590-R593 PolarHBondContact O-N 3.02Å; R593-D596 PolarHBondContact O-N 2.9Å; R593-A597 WeakPolarHBondContact O-CB 3.22Å; R593-A597 PolarHBondContact O-N 2.88Å |
| 594 | A | 69.3 | Low | 73.6 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L590 C591 K592 Q598 | L590-A594 WeakPolarHBondContact O-CB 3.38Å; L590-A594 PolarHBondContact O-N 3.47Å; C591-A594 PolarHBondContact O-N 2.91Å; K592-A594 VanDerWaalsContact C-N 3.3Å; K592-A594 PolarHBondContact O-N 2.98Å; A594-Q598 WeakPolarHBondContact O-CG 3.47Å; A594-Q598 PolarHBondContact O-N 2.9Å; A594-Q598 VanDerWaalsContact O-N 3.15Å |
| 595 | S | 73 | Confident | 74.6 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 173 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | C591 K592 A597 Q598 L599 | C591-S595 PolarHBondContact O-N 2.94Å; K592-S595 WeakPolarHBondContact O-CB 3.34Å; K592-S595 PolarHBondContact O-N 2.98Å; K592-S595 VanDerWaalsContact O-N 3.09Å; S595-A597 PolarHBondContact O-N 2.84Å; S595-Q598 PolarHBondContact O-N 2.9Å; S595-L599 PolarHBondContact O-N 3.46Å |
| 596 | D | 76.4 | Confident | 74.9 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 179.9 | -65 | -24.8 | 0 | 0 | 0 | 111.5 | K592 R593 Q598 L599 A600 | K592-D596 PolarHBondContact O-N 2.85Å; R593-D596 PolarHBondContact O-N 2.9Å; D596-Q598 PolarHBondContact O-N 3.3Å; D596-L599 PolarHBondContact O-N 2.92Å; D596-A600 PolarHBondContact O-N 2.91Å |
| 597 | A | 74.6 | Confident | 75.4 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | R593 S595 A600 I601 | R593-A597 WeakPolarHBondContact O-CB 3.22Å; R593-A597 PolarHBondContact O-N 2.88Å; S595-A597 PolarHBondContact O-N 2.84Å; A597-A600 PolarHBondContact O-N 2.97Å; A597-I601 WeakPolarHBondContact O-CG1 3.4Å; A597-I601 PolarHBondContact O-N 3.44Å |
| 598 | Q | 73.7 | Confident | 76.3 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 174.5 | -74.1 | -175.7 | 27.7 | 0 | 0 | 112.8 | A594 S595 D596 R602 | A594-Q598 WeakPolarHBondContact O-CG 3.47Å; A594-Q598 PolarHBondContact O-N 2.9Å; A594-Q598 VanDerWaalsContact O-N 3.15Å; S595-Q598 PolarHBondContact O-N 2.9Å; D596-Q598 PolarHBondContact O-N 3.3Å; Q598-R602 WeakPolarHBondContact O-CG 3.42Å; Q598-R602 PolarHBondContact O-N 3.04Å |
| 599 | L | 77.3 | Confident | 76.9 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 172.6 | -83 | 165.1 | 0 | 0 | 0 | 111.2 | S595 D596 I601 R602 L603 | S595-L599 PolarHBondContact O-N 3.46Å; D596-L599 PolarHBondContact O-N 2.92Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 3.46Å; L599-R602 PolarHBondContact O-N 3.39Å; L599-L603 WeakPolarHBondContact O-CG 3.2Å; L599-L603 PolarHBondContact O-N 3.26Å |
| 600 | A | 79.5 | Confident | 77.3 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D596 A597 L603 L604 | D596-A600 PolarHBondContact O-N 2.91Å; A597-A600 PolarHBondContact O-N 2.97Å; A600-L603 PolarHBondContact O-N 3.36Å; A600-L604 WeakPolarHBondContact O-CG 3.45Å; A600-L604 PolarHBondContact O-N 3.16Å |
| 601 | I | 79.4 | Confident | 78 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.2 | -69.6 | 170.1 | 0 | 0 | 0 | 111.1 | A597 L599 L603 L604 E605 V710 A714 | A597-I601 WeakPolarHBondContact O-CG1 3.4Å; A597-I601 PolarHBondContact O-N 3.44Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 3.46Å; I601-L603 VanDerWaalsContact C-N 3.33Å; I601-L603 PolarHBondContact O-N 2.84Å; I601-L604 PolarHBondContact O-N 3.11Å; I601-E605 HydrophobicContact CG2-CG 4.28Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.34Å; I601-E605 WeakPolarHBondContact O-CB 3.14Å; I601-E605 WeakPolarHBondContact O-CG 3.41Å; I601-E605 PolarHBondContact O-N 2.9Å; I601-V710 HydrophobicContact CD1-CG1 4.21Å; I601-V710 HydrophobicContact CG1-CB 4.37Å; I601-V710 HydrophobicContact CG1-CG1 3.68Å; I601-A714 HydrophobicContact CD1-CB 4.06Å |
| 602 | R | 76.7 | Confident | 78.8 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | -180 | -67.1 | 174.5 | -148.7 | 165.1 | 8.1 | 112.6 | Q598 L599 E605 S606 | Q598-R602 WeakPolarHBondContact O-CG 3.42Å; Q598-R602 PolarHBondContact O-N 3.04Å; L599-R602 PolarHBondContact O-N 3.39Å; R602-E605 PolarHBondContact O-N 2.97Å; R602-S606 WeakPolarHBondContact O-CB 3.18Å; R602-S606 PolarHBondContact O-N 3.06Å |
| 603 | L | 84.1 | Confident | 79.1 | Confident | 120 Ų | 120 | 74.1 Ų | 74.1 | 63% | 0.628 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 177 | -69.7 | 169.6 | 0 | 0 | 0 | 111.6 | L599 A600 I601 S606 E607 | L599-L603 WeakPolarHBondContact O-CG 3.2Å; L599-L603 PolarHBondContact O-N 3.26Å; A600-L603 PolarHBondContact O-N 3.36Å; I601-L603 VanDerWaalsContact C-N 3.33Å; I601-L603 PolarHBondContact O-N 2.84Å; L603-S606 WeakPolarHBondContact O-CB 3.44Å; L603-S606 PolarHBondContact O-N 2.73Å; L603-E607 PolarHBondContact O-N 2.77Å |
| 604 | L | 82.7 | Confident | 79.8 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | 174.3 | -69.3 | 169.2 | 0 | 0 | 0 | 112.3 | A600 I601 S606 E607 H608 V703 N706 L707 V710 | A600-L604 WeakPolarHBondContact O-CG 3.45Å; A600-L604 PolarHBondContact O-N 3.16Å; I601-L604 PolarHBondContact O-N 3.11Å; L604-S606 VanDerWaalsContact C-N 3.32Å; L604-E607 PolarHBondContact O-N 3.35Å; L604-H608 WeakPolarHBondContact O-CB 3.47Å; L604-H608 PolarHBondContact O-N 3.12Å; L604-V703 HydrophobicContact CB-CG1 4.42Å; L604-V703 HydrophobicContact CD2-CG1 4.15Å; L604-V703 WeakPolarHBondContact O-CG1 3.31Å; L604-N706 HydrophobicContact CD1-CB 4.25Å; L604-N706 HydrophobicContact CD2-CB 4.35Å; L604-L707 HydrophobicContact CB-CB 4.34Å; L604-L707 HydrophobicContact CB-CD1 4.33Å; L604-L707 HydrophobicContact CB-CG 4.46Å; L604-V710 HydrophobicContact CD1-CG2 4.28Å |
| 605 | E | 81.9 | Confident | 80.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 173.6 | -75.8 | 172.5 | 173 | 0 | 0 | 112 | I601 R602 S609 L707 R711 | I601-E605 HydrophobicContact CG2-CG 4.28Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.34Å; I601-E605 WeakPolarHBondContact O-CB 3.14Å; I601-E605 WeakPolarHBondContact O-CG 3.41Å; I601-E605 PolarHBondContact O-N 2.9Å; R602-E605 PolarHBondContact O-N 2.97Å; E605-S609 WeakPolarHBondContact O-CB 3.46Å; E605-S609 PolarHBondContact O-N 3.41Å; E605-S609 PolarHBondContact O-OG 2.69Å; E605-L707 HydrophobicContact CG-CD1 3.68Å; E605-L707 HydrophobicContact CG-CG 4.45Å; E605-R711 IonicContact OE1-CZ 3.3Å; E605-R711 IonicContact OE1-NH2 2.69Å; E605-R711 PolarHBondContact OE1-NH2 2.96Å |
| 606 | S | 81.1 | Confident | 80.9 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 51% | 0.51 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -54.5 | 171.3 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | R602 L603 L604 H608 S609 E610 | R602-S606 WeakPolarHBondContact O-CB 3.18Å; R602-S606 PolarHBondContact O-N 3.06Å; L603-S606 WeakPolarHBondContact O-CB 3.44Å; L603-S606 PolarHBondContact O-N 2.73Å; L604-S606 VanDerWaalsContact C-N 3.32Å; S606-H608 VanDerWaalsContact C-N 3.3Å; S606-H608 PolarHBondContact O-N 2.61Å; S606-S609 PolarHBondContact O-N 2.85Å; S606-S609 VanDerWaalsContact O-N 3.08Å; S606-E610 PolarHBondContact O-N 3.3Å |
| 607 | E | 85.1 | Confident | 81.2 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | -179.3 | -174.7 | 175.7 | -146.4 | 0 | 0 | 112.1 | L603 L604 S609 E610 L611 K699 V703 | L603-E607 PolarHBondContact O-N 2.77Å; L604-E607 PolarHBondContact O-N 3.35Å; E607-S609 VanDerWaalsContact C-N 3.34Å; E607-S609 PolarHBondContact O-N 2.92Å; E607-E610 PolarHBondContact O-N 3.37Å; E607-L611 HydrophobicContact CG-CD1 3.96Å; E607-L611 HydrophobicContact CG-CG 4.46Å; E607-L611 WeakPolarHBondContact O-CB 3.29Å; E607-L611 VanDerWaalsContact O-CG 3.26Å; E607-L611 WeakPolarHBondContact O-CG 3.34Å; E607-L611 PolarHBondContact O-N 3.44Å; E607-K699 WeakPolarHBondContact OE1-CE 3.42Å; E607-K699 IonicContact OE1-NZ 3.51Å; E607-K699 PolarHBondContact OE1-NZ 3.24Å; E607-V703 HydrophobicContact CB-CG1 4.48Å; E607-V703 HydrophobicContact CG-CG2 4.08Å; E607-V703 WeakPolarHBondContact OE2-CG2 3.5Å |
| 608 | H | 83.2 | Confident | 81.6 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 172.6 | 174.6 | -89.5 | 0 | 0 | 0 | 112.3 | L604 S606 L612 L700 V703 M704 | L604-H608 WeakPolarHBondContact O-CB 3.47Å; L604-H608 PolarHBondContact O-N 3.12Å; S606-H608 VanDerWaalsContact C-N 3.3Å; S606-H608 PolarHBondContact O-N 2.61Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.41Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.76Å; H608-L700 HydrophobicContact CB-CD1 4.49Å; H608-L700 VanDerWaalsContact CD2-CD1 3.45Å; H608-L700 WeakPolarHBondContact CD2-CD1 3.33Å; H608-V703 HydrophobicContact CB-CG1 3.91Å; H608-M704 VanDerWaalsContact CD2-CG 3.48Å; H608-M704 WeakPolarHBondContact CD2-CG 3.39Å |
| 609 | S | 80.9 | Confident | 82 | Confident | 75 Ų | 75 | 69 Ų | 69 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.1 | -40.2 | -179.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | E605 S606 E607 L612 S613 | E605-S609 WeakPolarHBondContact O-CB 3.46Å; E605-S609 PolarHBondContact O-N 3.41Å; E605-S609 PolarHBondContact O-OG 2.69Å; S606-S609 PolarHBondContact O-N 2.85Å; S606-S609 VanDerWaalsContact O-N 3.08Å; E607-S609 VanDerWaalsContact C-N 3.34Å; E607-S609 PolarHBondContact O-N 2.92Å; S609-L612 PolarHBondContact O-N 2.99Å; S609-S613 PolarHBondContact O-N 2.74Å |
| 610 | E | 83.6 | Confident | 82 | Confident | 140 Ų | 140 | 67.1 Ų | 67.1 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 174.7 | -170.9 | 170.3 | -146 | 0 | 0 | 111.6 | S606 E607 L612 S613 E614 | S606-E610 PolarHBondContact O-N 3.3Å; E607-E610 PolarHBondContact O-N 3.37Å; E610-L612 PolarHBondContact O-N 3.44Å; E610-S613 WeakPolarHBondContact O-CB 3.29Å; E610-S613 PolarHBondContact O-N 2.93Å; E610-E614 PolarHBondContact O-N 2.82Å |
| 611 | L | 83.6 | Confident | 82 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.1 | -72 | 168.9 | 0 | 0 | 0 | 113.2 | E607 S613 E614 I615 K699 L700 V703 | E607-L611 HydrophobicContact CG-CD1 3.96Å; E607-L611 HydrophobicContact CG-CG 4.46Å; E607-L611 WeakPolarHBondContact O-CB 3.29Å; E607-L611 VanDerWaalsContact O-CG 3.26Å; E607-L611 WeakPolarHBondContact O-CG 3.34Å; E607-L611 PolarHBondContact O-N 3.44Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-E614 PolarHBondContact O-N 2.95Å; L611-I615 WeakPolarHBondContact O-CB 3.35Å; L611-I615 WeakPolarHBondContact O-CD1 3.19Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 3.21Å; L611-K699 HydrophobicContact CD1-CB 4.2Å; L611-K699 HydrophobicContact CD1-CD 3.91Å; L611-K699 HydrophobicContact CD1-CG 3.82Å; L611-K699 HydrophobicContact CD2-CB 4.44Å; L611-K699 HydrophobicContact CD2-CD 3.9Å; L611-K699 HydrophobicContact CD2-CG 4.44Å; L611-L700 HydrophobicContact CB-CB 4.31Å; L611-L700 HydrophobicContact CB-CD1 4.01Å; L611-V703 HydrophobicContact CD1-CG2 3.93Å |
| 612 | L | 83 | Confident | 81.9 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 171.3 | -80.4 | 174.1 | 0 | 0 | 0 | 112.1 | H608 S609 E610 A616 L700 | H608-L612 WeakPolarHBondContact CE1-CD1 3.41Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.76Å; S609-L612 PolarHBondContact O-N 2.99Å; E610-L612 PolarHBondContact O-N 3.44Å; L612-A616 WeakPolarHBondContact O-CB 3.47Å; L612-A616 PolarHBondContact O-N 2.83Å; L612-L700 HydrophobicContact CD2-CD1 4.48Å; L612-L700 HydrophobicContact CD2-CD2 3.65Å; L612-L700 HydrophobicContact CG-CD1 4.09Å; L612-L700 HydrophobicContact CG-CD2 4.16Å |
| 613 | S | 80.7 | Confident | 81.8 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 58% | 0.58 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | S609 E610 L611 A616 R617 | S609-S613 PolarHBondContact O-N 2.74Å; E610-S613 WeakPolarHBondContact O-CB 3.29Å; E610-S613 PolarHBondContact O-N 2.93Å; L611-S613 VanDerWaalsContact C-N 3.34Å; S613-A616 PolarHBondContact O-N 3.11Å; S613-R617 WeakPolarHBondContact O-CB 3.32Å; S613-R617 PolarHBondContact O-N 2.81Å |
| 614 | E | 86.7 | Confident | 81.3 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.3 | 177.5 | 62.1 | 178 | 0 | 0 | 112 | E610 L611 A616 R617 L618 | E610-E614 PolarHBondContact O-N 2.82Å; L611-E614 PolarHBondContact O-N 2.95Å; E614-A616 VanDerWaalsContact C-N 3.31Å; E614-A616 PolarHBondContact O-N 3.39Å; E614-R617 PolarHBondContact O-N 3.01Å; E614-R617 IonicContact OE1-CZ 2.8Å; E614-R617 IonicContact OE1-NE 2.67Å; E614-R617 IonicContact OE1-NH2 2.68Å; E614-R617 PolarHBondContact OE1-NH2 3.08Å; E614-R617 IonicContact OE2-CZ 3.23Å; E614-R617 VanDerWaalsContact OE2-CZ 3.3Å; E614-R617 IonicContact OE2-NE 3.33Å; E614-R617 PolarHBondContact OE2-NE 3.32Å; E614-R617 IonicContact OE2-NH2 2.58Å; E614-R617 PolarHBondContact OE2-NH2 3.15Å; E614-L618 HydrophobicContact CG-CD1 3.98Å; E614-L618 HydrophobicContact CG-CG 4.49Å; E614-L618 WeakPolarHBondContact O-CB 3.46Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 2.88Å |
| 615 | I | 82.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 173.5 | -72.5 | 162.6 | 0 | 0 | 0 | 111 | L611 R619 L693 E697 L700 | L611-I615 WeakPolarHBondContact O-CB 3.35Å; L611-I615 WeakPolarHBondContact O-CD1 3.19Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 3.21Å; I615-R619 WeakPolarHBondContact O-CB 3.45Å; I615-R619 WeakPolarHBondContact O-CD 3.47Å; I615-R619 WeakPolarHBondContact O-CG 3.48Å; I615-R619 PolarHBondContact O-N 3.03Å; I615-L693 HydrophobicContact CB-CD1 4.35Å; I615-L693 HydrophobicContact CG1-CD1 4.39Å; I615-L693 HydrophobicContact CG2-CD1 3.99Å; I615-E697 HydrophobicContact CD1-CB 4.48Å; I615-E697 HydrophobicContact CD1-CG 3.84Å; I615-E697 HydrophobicContact CG1-CG 4.06Å; I615-E697 HydrophobicContact CG2-CG 4.32Å; I615-L700 HydrophobicContact CD1-CB 3.96Å; I615-L700 HydrophobicContact CD1-CD2 3.67Å; I615-L700 HydrophobicContact CD1-CG 4.39Å |
| 616 | A | 81.8 | Confident | 80.3 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L612 S613 E614 R619 G620 | L612-A616 WeakPolarHBondContact O-CB 3.47Å; L612-A616 PolarHBondContact O-N 2.83Å; S613-A616 PolarHBondContact O-N 3.11Å; E614-A616 VanDerWaalsContact C-N 3.31Å; E614-A616 PolarHBondContact O-N 3.39Å; A616-R619 PolarHBondContact O-N 3.05Å; A616-G620 PolarHBondContact O-N 2.89Å |
| 617 | R | 83.5 | Confident | 79.7 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 39% | 0.389 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -52.8 | 175.9 | -171.6 | -172.1 | 68.1 | 76 | 7.7 | 111.6 | S613 E614 R619 G620 E621 | S613-R617 WeakPolarHBondContact O-CB 3.32Å; S613-R617 PolarHBondContact O-N 2.81Å; E614-R617 PolarHBondContact O-N 3.01Å; E614-R617 IonicContact OE1-CZ 2.8Å; E614-R617 IonicContact OE1-NE 2.67Å; E614-R617 IonicContact OE1-NH2 2.68Å; E614-R617 PolarHBondContact OE1-NH2 3.08Å; E614-R617 IonicContact OE2-CZ 3.23Å; E614-R617 VanDerWaalsContact OE2-CZ 3.3Å; E614-R617 IonicContact OE2-NE 3.33Å; E614-R617 PolarHBondContact OE2-NE 3.32Å; E614-R617 IonicContact OE2-NH2 2.58Å; E614-R617 PolarHBondContact OE2-NH2 3.15Å; R617-R619 VanDerWaalsContact C-N 3.32Å; R617-R619 PolarHBondContact O-N 2.92Å; R617-G620 WeakPolarHBondContact O-CA 3.44Å; R617-G620 PolarHBondContact O-N 2.87Å; R617-G620 VanDerWaalsContact O-N 3.07Å; R617-E621 IonicContact CZ-OE1 3.91Å; R617-E621 IonicContact CZ-OE2 2.7Å; R617-E621 IonicContact NH1-OE1 3.39Å; R617-E621 PolarHBondContact NH1-OE1 2.97Å; R617-E621 IonicContact NH1-OE2 3.56Å; R617-E621 PolarHBondContact NH1-OE2 2.86Å; R617-E621 PolarHBondContact O-N 3.2Å |
| 618 | L | 82.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 179.5 | -71.5 | 170.6 | 0 | 0 | 0 | 112.2 | E614 E621 L622 L689 R692 L693 | E614-L618 HydrophobicContact CG-CD1 3.98Å; E614-L618 HydrophobicContact CG-CG 4.49Å; E614-L618 WeakPolarHBondContact O-CB 3.46Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 2.88Å; L618-E621 PolarHBondContact O-N 3.34Å; L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 PolarHBondContact O-N 2.85Å; L618-L689 HydrophobicContact CD2-CD2 3.79Å; L618-R692 HydrophobicContact CD1-CB 4.19Å; L618-R692 HydrophobicContact CD2-CB 4.41Å; L618-L693 HydrophobicContact CB-CB 4.48Å; L618-L693 HydrophobicContact CB-CD1 3.95Å; L618-L693 HydrophobicContact CD1-CB 4.49Å |
| 619 | R | 82 | Confident | 78 | Confident | 138 Ų | 138 | 73.9 Ų | 73.9 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 173.5 | -73.8 | 170.2 | 178.4 | -170.1 | 0.2 | 112.5 | I615 A616 R617 A623 L693 E697 | I615-R619 WeakPolarHBondContact O-CB 3.45Å; I615-R619 WeakPolarHBondContact O-CD 3.47Å; I615-R619 WeakPolarHBondContact O-CG 3.48Å; I615-R619 PolarHBondContact O-N 3.03Å; A616-R619 PolarHBondContact O-N 3.05Å; R617-R619 VanDerWaalsContact C-N 3.32Å; R617-R619 PolarHBondContact O-N 2.92Å; R619-A623 WeakPolarHBondContact O-CB 3.33Å; R619-A623 PolarHBondContact O-N 2.84Å; R619-L693 HydrophobicContact CG-CD1 3.79Å; R619-L693 HydrophobicContact CG-CD2 3.97Å; R619-E697 IonicContact CZ-OE1 3.24Å; R619-E697 IonicContact NE-OE1 2.9Å; R619-E697 PolarHBondContact NE-OE1 3.01Å; R619-E697 IonicContact NH2-OE1 3.85Å; R619-E697 PolarHBondContact NH2-OE1 2.91Å |
| 620 | G | 77 | Confident | 77 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 43% | 0.433 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A616 R617 A623 S624 | A616-G620 PolarHBondContact O-N 2.89Å; R617-G620 WeakPolarHBondContact O-CA 3.44Å; R617-G620 PolarHBondContact O-N 2.87Å; R617-G620 VanDerWaalsContact O-N 3.07Å; G620-A623 PolarHBondContact O-N 2.91Å; G620-S624 PolarHBondContact O-N 2.79Å |
| 621 | E | 79.8 | Confident | 75.8 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.5 | -74.5 | 171.2 | -176.2 | 0 | 0 | 111.4 | R617 L618 A623 S624 H625 L689 | R617-E621 IonicContact CZ-OE1 3.91Å; R617-E621 IonicContact CZ-OE2 2.7Å; R617-E621 IonicContact NH1-OE1 3.39Å; R617-E621 PolarHBondContact NH1-OE1 2.97Å; R617-E621 IonicContact NH1-OE2 3.56Å; R617-E621 PolarHBondContact NH1-OE2 2.86Å; R617-E621 PolarHBondContact O-N 3.2Å; L618-E621 PolarHBondContact O-N 3.34Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.23Å; E621-S624 PolarHBondContact O-N 2.78Å; E621-S624 PolarHBondContact O-OG 3.5Å; E621-H625 PolarHBondContact O-N 2.8Å; E621-L689 HydrophobicContact CB-CD1 4.44Å; E621-L689 HydrophobicContact CB-CD2 4.46Å |
| 622 | L | 77.1 | Confident | 74.7 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | 173.9 | -151.7 | 84.9 | 0 | 0 | 0 | 112.5 | L618 R626 D686 L689 R690 | L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 PolarHBondContact O-N 2.85Å; L622-R626 VanDerWaalsContact O-CG 3.29Å; L622-R626 WeakPolarHBondContact O-CG 3.32Å; L622-R626 PolarHBondContact O-N 3.41Å; L622-D686 WeakPolarHBondContact CD1-OD1 3.34Å; L622-L689 HydrophobicContact CD1-CB 3.77Å; L622-L689 HydrophobicContact CD1-CD1 4.48Å; L622-R690 HydrophobicContact CD1-CG 3.91Å; L622-R690 HydrophobicContact CD2-CG 4.33Å |
| 623 | A | 75.3 | Confident | 73.4 | Confident | 50 Ų | 50 | 77 Ų | 77 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.4 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R619 G620 E621 H625 R626 E627 | R619-A623 WeakPolarHBondContact O-CB 3.33Å; R619-A623 PolarHBondContact O-N 2.84Å; G620-A623 PolarHBondContact O-N 2.91Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.23Å; A623-H625 PolarHBondContact O-N 2.81Å; A623-R626 PolarHBondContact O-N 2.99Å; A623-R626 VanDerWaalsContact O-N 3.14Å; A623-E627 PolarHBondContact O-N 2.75Å |
| 624 | S | 73.9 | Confident | 72.2 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 179 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | G620 E621 E627 Y628 | G620-S624 PolarHBondContact O-N 2.79Å; E621-S624 PolarHBondContact O-N 2.78Å; E621-S624 PolarHBondContact O-OG 3.5Å; S624-E627 PolarHBondContact O-N 3.31Å; S624-Y628 WeakPolarHBondContact O-CB 3.43Å; S624-Y628 PolarHBondContact O-N 2.91Å |
| 625 | H | 71.7 | Confident | 70.7 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 31% | 0.306 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 170 | -106.9 | -71.3 | 0 | 0 | 0 | 111.2 | E621 A623 E627 Y628 D629 S685 | E621-H625 PolarHBondContact O-N 2.8Å; A623-H625 PolarHBondContact O-N 2.81Å; H625-E627 PolarHBondContact O-N 3.43Å; H625-Y628 WeakPolarHBondContact O-CB 3.44Å; H625-Y628 PolarHBondContact O-N 3.19Å; H625-Y628 VanDerWaalsContact O-N 3.16Å; H625-D629 PolarHBondContact O-N 2.74Å; H625-S685 PolarHBondContact CE1-OG 3.09Å; H625-S685 VanDerWaalsContact CE1-OG 3.28Å; H625-S685 PolarHBondContact NE2-OG 2.82Å |
| 626 | R | 70.7 | Confident | 69.4 | Low | 115 Ų | 115 | 85.3 Ų | 85.3 | 43% | 0.434 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66 | -34.8 | 177.8 | -70.4 | 169.7 | -175.2 | -171.7 | 1.2 | 113.6 | L622 A623 Y628 N630 | L622-R626 VanDerWaalsContact O-CG 3.29Å; L622-R626 WeakPolarHBondContact O-CG 3.32Å; L622-R626 PolarHBondContact O-N 3.41Å; A623-R626 PolarHBondContact O-N 2.99Å; A623-R626 VanDerWaalsContact O-N 3.14Å; R626-Y628 VanDerWaalsContact C-N 3.33Å; R626-N630 WeakPolarHBondContact O-CB 3.22Å; R626-N630 PolarHBondContact O-N 2.77Å; R626-N630 PolarHBondContact O-ND2 3.19Å; R626-N630 VanDerWaalsContact O-ND2 3.11Å |
| 627 | E | 69.3 | Low | 68.1 | Low | 147 Ų | 147 | 85.8 Ų | 85.8 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.7 | -37.6 | 172.4 | -74.2 | -169.7 | 171.9 | 0 | 0 | 111.5 | A623 S624 H625 R631 | A623-E627 PolarHBondContact O-N 2.75Å; S624-E627 PolarHBondContact O-N 3.31Å; H625-E627 PolarHBondContact O-N 3.43Å; E627-R631 VanDerWaalsContact O-CB 3.3Å; E627-R631 WeakPolarHBondContact O-CB 3.43Å; E627-R631 PolarHBondContact O-N 2.83Å |
| 628 | Y | 66.8 | Low | 66.7 | Low | 146 Ų | 146 | 86.2 Ų | 86.2 | 57% | 0.573 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.9 | -48.1 | 175 | -160.6 | -89.4 | 0 | 0 | 0 | 111.7 | S624 H625 R626 R631 T632 | S624-Y628 WeakPolarHBondContact O-CB 3.43Å; S624-Y628 PolarHBondContact O-N 2.91Å; H625-Y628 WeakPolarHBondContact O-CB 3.44Å; H625-Y628 PolarHBondContact O-N 3.19Å; H625-Y628 VanDerWaalsContact O-N 3.16Å; R626-Y628 VanDerWaalsContact C-N 3.33Å; Y628-R631 PolarHBondContact O-N 2.96Å; Y628-R631 VanDerWaalsContact O-N 3.13Å; Y628-T632 HydrophobicContact CD1-CG2 4.42Å; Y628-T632 HydrophobicContact CE1-CG2 4.22Å; Y628-T632 PolarHBondContact O-N 2.66Å; Y628-T632 PolarHBondContact O-OG1 2.74Å |
| 629 | D | 64.5 | Low | 65.2 | Low | 65 Ų | 65 | 90.8 Ų | 90.8 | 35% | 0.348 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.4 | -69.5 | -19.9 | 0 | 0 | 0 | 112.6 | H625 R631 T632 A633 | H625-D629 PolarHBondContact O-N 2.74Å; D629-R631 VanDerWaalsContact C-N 3.29Å; D629-R631 PolarHBondContact O-N 3.33Å; D629-T632 WeakPolarHBondContact CA-OG1 3.45Å; D629-T632 PolarHBondContact O-OG1 2.65Å; D629-A633 VanDerWaalsContact O-CB 3.25Å; D629-A633 WeakPolarHBondContact O-CB 3.28Å; D629-A633 PolarHBondContact O-N 2.74Å |
| 630 | N | 59.6 | Low | 63.9 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.7 | -32.9 | 172.2 | -78.5 | -32 | 0 | 0 | 0 | 111.7 | R626 L634 | R626-N630 WeakPolarHBondContact O-CB 3.22Å; R626-N630 PolarHBondContact O-N 2.77Å; R626-N630 PolarHBondContact O-ND2 3.19Å; R626-N630 VanDerWaalsContact O-ND2 3.11Å; N630-L634 VanDerWaalsContact O-CB 3.3Å; N630-L634 WeakPolarHBondContact O-CB 3.41Å; N630-L634 PolarHBondContact O-N 3.38Å |
| 631 | R | 59.4 | Low | 62.5 | Low | 166 Ų | 166 | 93 Ų | 93 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -78.8 | -31.7 | -179.8 | -158.9 | 174.4 | 77.9 | -171.9 | 5.2 | 112.7 | E627 Y628 D629 N635 | E627-R631 VanDerWaalsContact O-CB 3.3Å; E627-R631 WeakPolarHBondContact O-CB 3.43Å; E627-R631 PolarHBondContact O-N 2.83Å; Y628-R631 PolarHBondContact O-N 2.96Å; Y628-R631 VanDerWaalsContact O-N 3.13Å; D629-R631 VanDerWaalsContact C-N 3.29Å; D629-R631 PolarHBondContact O-N 3.33Å; R631-N635 VanDerWaalsContact O-CG 3.29Å; R631-N635 PolarHBondContact O-N 3.49Å; R631-N635 PolarHBondContact O-ND2 3.47Å |
| 632 | T | 59.9 | Low | 61.1 | Low | 62 Ų | 62 | 96.9 Ų | 96.9 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -46.2 | 167.7 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | Y628 D629 L634 N635 D636 | Y628-T632 HydrophobicContact CD1-CG2 4.42Å; Y628-T632 HydrophobicContact CE1-CG2 4.22Å; Y628-T632 PolarHBondContact O-N 2.66Å; Y628-T632 PolarHBondContact O-OG1 2.74Å; D629-T632 WeakPolarHBondContact CA-OG1 3.45Å; D629-T632 PolarHBondContact O-OG1 2.65Å; T632-L634 VanDerWaalsContact C-N 3.33Å; T632-L634 PolarHBondContact O-N 2.96Å; T632-N635 WeakPolarHBondContact O-CB 3.27Å; T632-N635 PolarHBondContact O-N 3.03Å; T632-N635 VanDerWaalsContact O-N 3.09Å; T632-D636 PolarHBondContact O-N 3Å |
| 633 | A | 56.5 | Low | 59.7 | Low | 45 Ų | 45 | 102.5 Ų | 102.5 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D629 N635 D636 V637 | D629-A633 VanDerWaalsContact O-CB 3.25Å; D629-A633 WeakPolarHBondContact O-CB 3.28Å; D629-A633 PolarHBondContact O-N 2.74Å; A633-N635 VanDerWaalsContact C-N 3.34Å; A633-D636 PolarHBondContact O-N 3.49Å; A633-V637 WeakPolarHBondContact O-CB 3.42Å; A633-V637 VanDerWaalsContact O-CG2 3.29Å; A633-V637 WeakPolarHBondContact O-CG2 3.4Å; A633-V637 PolarHBondContact O-N 2.96Å |
| 634 | L | 56.2 | Low | 58.1 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 174.1 | -95.4 | 164.3 | 0 | 0 | 0 | 112.7 | N630 T632 H638 | N630-L634 VanDerWaalsContact O-CB 3.3Å; N630-L634 WeakPolarHBondContact O-CB 3.41Å; N630-L634 PolarHBondContact O-N 3.38Å; T632-L634 VanDerWaalsContact C-N 3.33Å; T632-L634 PolarHBondContact O-N 2.96Å; L634-H638 WeakPolarHBondContact O-CB 3.46Å; L634-H638 PolarHBondContact O-N 2.93Å |
| 635 | N | 54.2 | Low | 56.2 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 174.5 | -69.5 | -14.8 | 0 | 0 | 0 | 110.8 | R631 T632 A633 V637 H638 D639 | R631-N635 VanDerWaalsContact O-CG 3.29Å; R631-N635 PolarHBondContact O-N 3.49Å; R631-N635 PolarHBondContact O-ND2 3.47Å; T632-N635 WeakPolarHBondContact O-CB 3.27Å; T632-N635 PolarHBondContact O-N 3.03Å; T632-N635 VanDerWaalsContact O-N 3.09Å; A633-N635 VanDerWaalsContact C-N 3.34Å; N635-V637 VanDerWaalsContact C-N 3.31Å; N635-V637 PolarHBondContact O-N 2.7Å; N635-H638 WeakPolarHBondContact O-CB 3.14Å; N635-H638 PolarHBondContact O-N 3.12Å; N635-H638 VanDerWaalsContact O-N 3.16Å; N635-D639 WeakPolarHBondContact O-CB 3.48Å; N635-D639 PolarHBondContact O-N 3.34Å |
| 636 | D | 54.8 | Low | 54.5 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.8 | -39.5 | 176.4 | -71.9 | -21.9 | 0 | 0 | 0 | 112 | T632 A633 D639 L640 | T632-D636 PolarHBondContact O-N 3Å; A633-D636 PolarHBondContact O-N 3.49Å; D636-D639 PolarHBondContact O-N 2.93Å; D636-L640 WeakPolarHBondContact O-CB 3.15Å; D636-L640 VanDerWaalsContact O-CG 3.3Å; D636-L640 WeakPolarHBondContact O-CG 3.05Å; D636-L640 PolarHBondContact O-N 3.22Å |
| 637 | V | 55.3 | Low | 52.7 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.1 | -38.7 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | A633 N635 D639 L640 L641 | A633-V637 WeakPolarHBondContact O-CB 3.42Å; A633-V637 VanDerWaalsContact O-CG2 3.29Å; A633-V637 WeakPolarHBondContact O-CG2 3.4Å; A633-V637 PolarHBondContact O-N 2.96Å; N635-V637 VanDerWaalsContact C-N 3.31Å; N635-V637 PolarHBondContact O-N 2.7Å; V637-D639 VanDerWaalsContact C-N 3.31Å; V637-D639 PolarHBondContact O-N 3.22Å; V637-L640 PolarHBondContact O-N 2.77Å; V637-L641 HydrophobicContact CG1-CD1 3.94Å; V637-L641 HydrophobicContact CG1-CG 4.36Å; V637-L641 WeakPolarHBondContact O-CB 3.49Å; V637-L641 WeakPolarHBondContact O-CG 3.41Å; V637-L641 PolarHBondContact O-N 3.3Å |
| 638 | H | 53.4 | Low | 50.8 | Low | 112 Ų | 112 | 116 Ų | 116 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -37.1 | 174.6 | -164.5 | -53.5 | 0 | 0 | 0 | 111.6 | L634 N635 L640 H642 | L634-H638 WeakPolarHBondContact O-CB 3.46Å; L634-H638 PolarHBondContact O-N 2.93Å; N635-H638 WeakPolarHBondContact O-CB 3.14Å; N635-H638 PolarHBondContact O-N 3.12Å; N635-H638 VanDerWaalsContact O-N 3.16Å; H638-L640 VanDerWaalsContact C-N 3.33Å; H638-H642 AromaticContact CE1-CD2 3.63Å; H638-H642 AromaticContact CE1-NE2 3.36Å; H638-H642 PolarHBondContact CE1-NE2 2.92Å; H638-H642 AromaticContact ND1-CD2 3.57Å; H638-H642 AromaticContact ND1-NE2 3.82Å; H638-H642 PolarHBondContact O-N 3.19Å |
| 639 | D | 51.7 | Low | 48.9 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.5 | -20.6 | 177.6 | -130.7 | 58 | 0 | 0 | 0 | 113.2 | N635 D636 V637 K643 | N635-D639 WeakPolarHBondContact O-CB 3.48Å; N635-D639 PolarHBondContact O-N 3.34Å; D636-D639 PolarHBondContact O-N 2.93Å; V637-D639 VanDerWaalsContact C-N 3.31Å; V637-D639 PolarHBondContact O-N 3.22Å; D639-K643 WeakPolarHBondContact O-CD 3.32Å; D639-K643 WeakPolarHBondContact O-CE 3.48Å; D639-K643 WeakPolarHBondContact O-CG 3.44Å; D639-K643 PolarHBondContact O-NZ 2.86Å; D639-K643 IonicContact OD2-NZ 3.86Å; D639-K643 PolarHBondContact OD2-NZ 3.35Å |
| 640 | L | 55.1 | Low | 47.1 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.3 | -37.7 | 171.8 | -76.2 | 168.2 | 0 | 0 | 0 | 112.8 | D636 V637 H638 H642 K643 N644 | D636-L640 WeakPolarHBondContact O-CB 3.15Å; D636-L640 VanDerWaalsContact O-CG 3.3Å; D636-L640 WeakPolarHBondContact O-CG 3.05Å; D636-L640 PolarHBondContact O-N 3.22Å; V637-L640 PolarHBondContact O-N 2.77Å; H638-L640 VanDerWaalsContact C-N 3.33Å; L640-H642 PolarHBondContact O-N 2.85Å; L640-K643 PolarHBondContact O-N 3.21Å; L640-N644 PolarHBondContact O-N 3.15Å |
| 641 | L | 47.4 | Very low | 45.8 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.3 | -45.3 | 177.8 | -81.6 | 166.3 | 0 | 0 | 0 | 111.4 | V637 K643 N644 | V637-L641 HydrophobicContact CG1-CD1 3.94Å; V637-L641 HydrophobicContact CG1-CG 4.36Å; V637-L641 WeakPolarHBondContact O-CB 3.49Å; V637-L641 WeakPolarHBondContact O-CG 3.41Å; V637-L641 PolarHBondContact O-N 3.3Å; L641-K643 PolarHBondContact O-N 3.46Å; L641-N644 PolarHBondContact O-N 2.82Å |
| 642 | H | 49.7 | Very low | 44.2 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 69% | 0.69 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.5 | -10.4 | 174.1 | -82.6 | -51.3 | 0 | 0 | 0 | 115.2 | H638 L640 | H638-H642 AromaticContact CE1-CD2 3.63Å; H638-H642 AromaticContact CE1-NE2 3.36Å; H638-H642 PolarHBondContact CE1-NE2 2.92Å; H638-H642 AromaticContact ND1-CD2 3.57Å; H638-H642 AromaticContact ND1-NE2 3.82Å; H638-H642 PolarHBondContact O-N 3.19Å; L640-H642 PolarHBondContact O-N 2.85Å |
| 643 | K | 48.5 | Very low | 42.7 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -103.5 | -13.6 | -180 | -66.5 | 179.4 | -173.7 | 106.8 | 0 | 113.9 | D639 L640 L641 | D639-K643 WeakPolarHBondContact O-CD 3.32Å; D639-K643 WeakPolarHBondContact O-CE 3.48Å; D639-K643 WeakPolarHBondContact O-CG 3.44Å; D639-K643 PolarHBondContact O-NZ 2.86Å; D639-K643 IonicContact OD2-NZ 3.86Å; D639-K643 PolarHBondContact OD2-NZ 3.35Å; L640-K643 PolarHBondContact O-N 3.21Å; L641-K643 PolarHBondContact O-N 3.46Å |
| 644 | N | 42.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -127.4 | 6.6 | -161.9 | -145.4 | 27.8 | 0 | 0 | 0 | 117.5 | L640 L641 S646 | L640-N644 PolarHBondContact O-N 3.15Å; L641-N644 PolarHBondContact O-N 2.82Å; N644-S646 PolarHBondContact O-N 3.48Å; N644-S646 VanDerWaalsContact O-N 3.1Å |
| 645 | E | 32.4 | Very low | 40.1 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -14.7 | 167.9 | -68.3 | -167.4 | 127.5 | 0 | 0 | 113.1 | R647 | E645-R647 VanDerWaalsContact C-N 3.27Å; E645-R647 PolarHBondContact O-N 3.18Å |
| 646 | S | 36.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 7.6 | -177.9 | -57.4 | 0 | 0 | 0 | 0 | 116.1 | N644 | N644-S646 PolarHBondContact O-N 3.48Å; N644-S646 VanDerWaalsContact O-N 3.1Å |
| 647 | R | 33.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -138 | 84.1 | -175.1 | -71.8 | -168.2 | 172.5 | 179.8 | -0.8 | 116 | E645 | E645-R647 VanDerWaalsContact C-N 3.27Å; E645-R647 PolarHBondContact O-N 3.18Å |
| 648 | S | 28 | Very low | 36.3 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | 39.6 | 108.3 | 132.4 | -51.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 649 | L | 27.2 | Very low | 35.3 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | 34.1 | 144 | 116.9 | -129.5 | 73.7 | 0 | 0 | 0 | 122 | |||||
| 650 | E | 27.6 | Very low | 34.1 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 72.9 | 106.4 | 162.9 | -54.9 | -166.8 | 150 | 0 | 0 | 119.2 | ||||
| 651 | N | 32.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | -170.3 | 162.3 | 105.4 | -102.3 | -72.4 | 0 | 0 | 0 | 112.7 | |||||
| 652 | G | 26.1 | Very low | 31.7 | Very low | 64 Ų | 64 | 140.4 Ų | 140.4 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -99.6 | -156.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 653 | V | 27.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | -173.5 | 142.3 | -11.4 | 117.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 654 | K | 27.4 | Very low | 29.3 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 56.7 | 125.1 | 167.7 | -67.2 | 162.4 | -171 | 173.6 | 0 | 120.1 | ||||
| 655 | N | 29.8 | Very low | 28.4 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | 174.6 | 168.8 | 114.8 | -87.2 | -22.7 | 0 | 0 | 0 | 110.1 | |||||
| 656 | H | 25.2 | Very low | 28 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | -171.7 | 128.9 | -60.5 | -149.7 | -26.6 | 0 | 0 | 0 | 104.6 | |||||
| 657 | N | 26.2 | Very low | 27.3 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 17.6 | 124.2 | 162.5 | -54.2 | 18 | 0 | 0 | 0 | 121 | ||||
| 658 | I | 34 | Very low | 26.8 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -131.8 | 145.7 | 138.2 | -63.9 | -175.8 | 0 | 0 | 0 | 108.6 | ||||
| 659 | S | 31.5 | Very low | 26.6 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | -152.7 | 130.3 | 172.9 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | I | 26.9 | Very low | 26.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | trans | 168.5 | 123.8 | 169.6 | -94.9 | 149.4 | 0 | 0 | 0 | 104.1 | ||||
| 661 | S | 26.6 | Very low | 26.4 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | cis | 98.8 | 120.6 | 28.7 | 75.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 662 | S | 25.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | 65.8 | 152.4 | 174.3 | 21.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 663 | S | 25.2 | Very low | 26.2 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -165 | 148.7 | -4.8 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 664 | S | 23.8 | Very low | 26.1 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 52 | 119.3 | 143 | 64.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 665 | S | 23.8 | Very low | 26 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | 76.8 | 136.7 | 126.1 | 65 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 666 | S | 22.8 | Very low | 25.8 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 67.6 | 146.4 | 155.8 | 63.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 667 | S | 22.7 | Very low | 25.9 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -164.2 | 158.7 | -18 | -96.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 668 | S | 22.1 | Very low | 25.9 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 54.7 | 110.4 | 154.2 | 53.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 669 | T | 25.5 | Very low | 25.6 | Very low | 119 Ų | 119 | 124 Ų | 124 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 52.7 | 123 | 134 | 58.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 670 | N | 25.8 | Very low | 25.7 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | -156.1 | 165.1 | 120 | -108.9 | -33.6 | 0 | 0 | 0 | 112.3 | |||||
| 671 | L | 23.9 | Very low | 26.4 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -113.5 | 158 | -163.3 | -85.6 | 80.6 | 0 | 0 | 0 | 114.5 | ||||
| 672 | V | 28.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 85 | 119.1 | 134.6 | 151.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 673 | N | 26.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | 73.9 | 138.4 | 142.8 | -67.4 | 4.3 | 0 | 0 | 0 | 124.9 | ||||
| 674 | G | 23.9 | Very low | 29.6 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | 114.6 | 136 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 675 | T | 26.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | cis | -164.9 | 164.8 | -10.8 | -18 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 676 | Q | 25.4 | Very low | 33.5 | Very low | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | trans | 72.4 | 100.6 | 156.2 | -66.7 | 174.6 | 14.3 | 0 | 0 | 121.6 | ||||
| 677 | H | 25.9 | Very low | 36 | Very low | 180 Ų | 180 | 120 Ų | 120 | 83% | 0.833 | 68% | 0.684 | S | S | * | * | 57 | 128.4 | 117.9 | -81.1 | -74.5 | 0 | 0 | 0 | 124.9 | |||||
| 678 | S | 26.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | trans | 65.2 | 107.8 | 140.2 | 59.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 679 | H | 27.5 | Very low | 41.5 | Very low | 174 Ų | 174 | 115 Ų | 115 | 81% | 0.806 | 64% | 0.641 | S | S | * | * | -167.4 | 139.9 | 99 | -108.8 | -82.9 | 0 | 0 | 0 | 113.3 | |||||
| 680 | I | 35.1 | Very low | 44.1 | Very low | 142 Ų | 142 | 115 Ų | 115 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | trans | 65.5 | 60.8 | 157.8 | -43.5 | 173.2 | 0 | 0 | 0 | 118.4 | N682 | I680-N682 PolarHBondContact O-N 3.23Š| ||
| 681 | N | 40.8 | Very low | 46.9 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 82% | 0.824 | 61% | 0.614 | S | S | * | * | S | Bend | 46.6 | 28.4 | 110.3 | -113 | 60.4 | 0 | 0 | 0 | 123.8 | |||
| 682 | N | 46.6 | Very low | 49.9 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -135.7 | 4.5 | 163.4 | -135.7 | 38.8 | 0 | 0 | 0 | 116.2 | I680 | I680-N682 PolarHBondContact O-N 3.23Š|
| 683 | H | 46.6 | Very low | 52.6 | Low | 156 Ų | 156 | 108.6 Ų | 108.6 | 72% | 0.722 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -109.1 | 0.5 | -179.2 | -70.9 | -51.9 | 0 | 0 | 0 | 115.2 | S687 | H683-S687 PolarHBondContact O-N 3.01Š|
| 684 | S | 50.9 | Low | 55.4 | Low | 73 Ų | 73 | 108.7 Ų | 108.7 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | -174.6 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | D686 S687 D688 | S684-D686 PolarHBondContact O-N 3.42Å; S684-S687 WeakPolarHBondContact O-CA 3.48Å; S684-S687 WeakPolarHBondContact O-CB 2.99Å; S684-S687 PolarHBondContact O-N 3.26Å; S684-D688 VanDerWaalsContact O-CG 3.31Å; S684-D688 PolarHBondContact O-N 2.96Å |
| 685 | S | 61.3 | Low | 58.4 | Low | 45 Ų | 45 | 111.2 Ų | 111.2 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -38.9 | -176.1 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | H625 S687 L689 | H625-S685 PolarHBondContact CE1-OG 3.09Å; H625-S685 VanDerWaalsContact CE1-OG 3.28Å; H625-S685 PolarHBondContact NE2-OG 2.82Å; S685-S687 VanDerWaalsContact C-N 3.29Å; S685-S687 PolarHBondContact O-N 3.17Å; S685-L689 WeakPolarHBondContact O-CB 3.35Å; S685-L689 VanDerWaalsContact O-CG 3.24Å; S685-L689 WeakPolarHBondContact O-CG 3.29Å; S685-L689 PolarHBondContact O-N 2.86Å |
| 686 | D | 68.9 | Low | 61.1 | Low | 27 Ų | 27 | 105.8 Ų | 105.8 | 14% | 0.144 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70 | -26.1 | 174.7 | -178.1 | 75 | 0 | 0 | 0 | 112 | L622 S684 R690 | L622-D686 WeakPolarHBondContact CD1-OD1 3.34Å; S684-D686 PolarHBondContact O-N 3.42Å; D686-R690 VanDerWaalsContact O-CD 3.24Å; D686-R690 WeakPolarHBondContact O-CD 3.18Å; D686-R690 WeakPolarHBondContact O-CG 3.48Å; D686-R690 PolarHBondContact O-N 3.05Å; D686-R690 PolarHBondContact O-NE 3.4Å; D686-R690 IonicContact OD1-NE 3.83Å; D686-R690 IonicContact OD1-NH2 3.49Å; D686-R690 IonicContact OD2-CZ 2.68Å; D686-R690 IonicContact OD2-NE 3.15Å; D686-R690 PolarHBondContact OD2-NE 2.95Å; D686-R690 IonicContact OD2-NH2 3.42Å; D686-R690 PolarHBondContact OD2-NH2 3.39Å |
| 687 | S | 75.5 | Confident | 63.9 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -51.6 | 171.9 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | H683 S684 S685 L689 R690 E691 | H683-S687 PolarHBondContact O-N 3.01Å; S684-S687 WeakPolarHBondContact O-CA 3.48Å; S684-S687 WeakPolarHBondContact O-CB 2.99Å; S684-S687 PolarHBondContact O-N 3.26Å; S685-S687 VanDerWaalsContact C-N 3.29Å; S685-S687 PolarHBondContact O-N 3.17Å; S687-L689 VanDerWaalsContact C-N 3.29Å; S687-L689 PolarHBondContact O-N 3.28Å; S687-R690 WeakPolarHBondContact O-CB 3.43Å; S687-R690 PolarHBondContact O-N 3.39Å; S687-R690 VanDerWaalsContact O-N 3.08Å; S687-E691 PolarHBondContact O-N 2.63Å |
| 688 | D | 80 | Confident | 66.7 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | -178.9 | -60.5 | -6.9 | 0 | 0 | 0 | 111.6 | S684 E691 R692 | S684-D688 VanDerWaalsContact O-CG 3.31Å; S684-D688 PolarHBondContact O-N 2.96Å; D688-E691 PolarHBondContact O-N 3.16Å; D688-R692 WeakPolarHBondContact O-CG 3.45Å; D688-R692 PolarHBondContact O-N 3.33Å; D688-R692 VanDerWaalsContact O-N 3.13Å |
| 689 | L | 79.3 | Confident | 69.6 | Low | 22 Ų | 22 | 93.6 Ų | 93.6 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 174.5 | -75.9 | 170.5 | 0 | 0 | 0 | 112.5 | L618 E621 L622 S685 S687 L693 | L618-L689 HydrophobicContact CD2-CD2 3.79Å; E621-L689 HydrophobicContact CB-CD1 4.44Å; E621-L689 HydrophobicContact CB-CD2 4.46Å; L622-L689 HydrophobicContact CD1-CB 3.77Å; L622-L689 HydrophobicContact CD1-CD1 4.48Å; S685-L689 WeakPolarHBondContact O-CB 3.35Å; S685-L689 VanDerWaalsContact O-CG 3.24Å; S685-L689 WeakPolarHBondContact O-CG 3.29Å; S685-L689 PolarHBondContact O-N 2.86Å; S687-L689 VanDerWaalsContact C-N 3.29Å; S687-L689 PolarHBondContact O-N 3.28Å; L689-L693 VanDerWaalsContact O-CB 3.3Å; L689-L693 WeakPolarHBondContact O-CB 3.47Å; L689-L693 PolarHBondContact O-N 3.04Å |
| 690 | R | 80.9 | Confident | 72.4 | Confident | 118 Ų | 118 | 86.3 Ų | 86.3 | 45% | 0.445 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 176.4 | -73.2 | 165.5 | -166.8 | -121.1 | 7.1 | 112.3 | L622 D686 S687 L693 Y694 | L622-R690 HydrophobicContact CD1-CG 3.91Å; L622-R690 HydrophobicContact CD2-CG 4.33Å; D686-R690 VanDerWaalsContact O-CD 3.24Å; D686-R690 WeakPolarHBondContact O-CD 3.18Å; D686-R690 WeakPolarHBondContact O-CG 3.48Å; D686-R690 PolarHBondContact O-N 3.05Å; D686-R690 PolarHBondContact O-NE 3.4Å; D686-R690 IonicContact OD1-NE 3.83Å; D686-R690 IonicContact OD1-NH2 3.49Å; D686-R690 IonicContact OD2-CZ 2.68Å; D686-R690 IonicContact OD2-NE 3.15Å; D686-R690 PolarHBondContact OD2-NE 2.95Å; D686-R690 IonicContact OD2-NH2 3.42Å; D686-R690 PolarHBondContact OD2-NH2 3.39Å; S687-R690 WeakPolarHBondContact O-CB 3.43Å; S687-R690 PolarHBondContact O-N 3.39Å; S687-R690 VanDerWaalsContact O-N 3.08Å; R690-L693 PolarHBondContact O-N 2.95Å; R690-Y694 WeakPolarHBondContact O-CB 3.34Å; R690-Y694 PolarHBondContact O-N 3.37Å |
| 691 | E | 85.3 | Confident | 74.8 | Confident | 128 Ų | 128 | 85.5 Ų | 85.5 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.2 | -49.6 | 176.5 | -171.5 | 161.1 | -138.8 | 0 | 0 | 110.7 | S687 D688 L693 Y694 E695 | S687-E691 PolarHBondContact O-N 2.63Å; D688-E691 PolarHBondContact O-N 3.16Å; E691-L693 VanDerWaalsContact C-N 3.3Å; E691-L693 PolarHBondContact O-N 2.9Å; E691-Y694 PolarHBondContact O-N 2.97Å; E691-Y694 VanDerWaalsContact O-N 3.09Å; E691-E695 PolarHBondContact O-N 2.89Å |
| 692 | R | 86 | Confident | 76.9 | Confident | 142 Ų | 142 | 84.7 Ų | 84.7 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 175 | -69.3 | 177 | -173.9 | -175 | 3.9 | 113.5 | L618 D688 S696 | L618-R692 HydrophobicContact CD1-CB 4.19Å; L618-R692 HydrophobicContact CD2-CB 4.41Å; D688-R692 WeakPolarHBondContact O-CG 3.45Å; D688-R692 PolarHBondContact O-N 3.33Å; D688-R692 VanDerWaalsContact O-N 3.13Å; R692-S696 WeakPolarHBondContact O-CB 3.45Å; R692-S696 PolarHBondContact O-N 3.11Å; R692-S696 PolarHBondContact O-OG 3.33Å |
| 693 | L | 85.7 | Confident | 78.7 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.5 | -178.5 | 67.2 | 0 | 0 | 0 | 110.7 | I615 L618 R619 L689 R690 E691 S696 E697 | I615-L693 HydrophobicContact CB-CD1 4.35Å; I615-L693 HydrophobicContact CG1-CD1 4.39Å; I615-L693 HydrophobicContact CG2-CD1 3.99Å; L618-L693 HydrophobicContact CB-CB 4.48Å; L618-L693 HydrophobicContact CB-CD1 3.95Å; L618-L693 HydrophobicContact CD1-CB 4.49Å; R619-L693 HydrophobicContact CG-CD1 3.79Å; R619-L693 HydrophobicContact CG-CD2 3.97Å; L689-L693 VanDerWaalsContact O-CB 3.3Å; L689-L693 WeakPolarHBondContact O-CB 3.47Å; L689-L693 PolarHBondContact O-N 3.04Å; R690-L693 PolarHBondContact O-N 2.95Å; E691-L693 VanDerWaalsContact C-N 3.3Å; E691-L693 PolarHBondContact O-N 2.9Å; L693-S696 PolarHBondContact O-N 2.94Å; L693-E697 WeakPolarHBondContact O-CB 3.07Å; L693-E697 WeakPolarHBondContact O-CG 3.5Å; L693-E697 PolarHBondContact O-N 3.34Å |
| 694 | Y | 84.5 | Confident | 80.4 | Confident | 159 Ų | 159 | 75.2 Ų | 75.2 | 62% | 0.624 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 178 | -177.7 | -102.5 | 0 | 0 | 0 | 112.9 | R690 E691 S696 E697 T698 | R690-Y694 WeakPolarHBondContact O-CB 3.34Å; R690-Y694 PolarHBondContact O-N 3.37Å; E691-Y694 PolarHBondContact O-N 2.97Å; E691-Y694 VanDerWaalsContact O-N 3.09Å; Y694-S696 VanDerWaalsContact C-N 3.34Å; Y694-E697 PolarHBondContact O-N 3.4Å; Y694-T698 HydrophobicContact CD1-CG2 4.38Å; Y694-T698 HydrophobicContact CD2-CG2 4.43Å; Y694-T698 HydrophobicContact CE1-CG2 4Å; Y694-T698 HydrophobicContact CE2-CG2 4.06Å; Y694-T698 WeakPolarHBondContact O-CB 3.33Å; Y694-T698 VanDerWaalsContact O-CG2 3.31Å; Y694-T698 WeakPolarHBondContact O-CG2 3.31Å; Y694-T698 PolarHBondContact O-N 3.01Å; Y694-T698 PolarHBondContact O-OG1 3.39Å |
| 695 | E | 87 | Confident | 81.9 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 170.7 | -71.4 | -166.5 | 128.6 | 0 | 0 | 111.7 | E691 T698 K699 | E691-E695 PolarHBondContact O-N 2.89Å; E695-T698 PolarHBondContact O-N 3.45Å; E695-T698 PolarHBondContact O-OG1 3.08Å; E695-T698 VanDerWaalsContact O-OG1 3.05Å; E695-K699 WeakPolarHBondContact O-CB 3.49Å; E695-K699 PolarHBondContact O-N 2.89Å |
| 696 | S | 82.9 | Confident | 82.9 | Confident | 16 Ų | 16 | 78.5 Ų | 78.5 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | R692 L693 Y694 K699 L700 | R692-S696 WeakPolarHBondContact O-CB 3.45Å; R692-S696 PolarHBondContact O-N 3.11Å; R692-S696 PolarHBondContact O-OG 3.33Å; L693-S696 PolarHBondContact O-N 2.94Å; Y694-S696 VanDerWaalsContact C-N 3.34Å; S696-K699 PolarHBondContact O-N 3.44Å; S696-L700 WeakPolarHBondContact O-CB 3.45Å; S696-L700 PolarHBondContact O-N 3.49Å |
| 697 | E | 85.4 | Confident | 83.4 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.6 | -73.4 | 177.2 | -178.4 | 0 | 0 | 112.1 | I615 R619 L693 Y694 L700 K701 | I615-E697 HydrophobicContact CD1-CB 4.48Å; I615-E697 HydrophobicContact CD1-CG 3.84Å; I615-E697 HydrophobicContact CG1-CG 4.06Å; I615-E697 HydrophobicContact CG2-CG 4.32Å; R619-E697 IonicContact CZ-OE1 3.24Å; R619-E697 IonicContact NE-OE1 2.9Å; R619-E697 PolarHBondContact NE-OE1 3.01Å; R619-E697 IonicContact NH2-OE1 3.85Å; R619-E697 PolarHBondContact NH2-OE1 2.91Å; L693-E697 WeakPolarHBondContact O-CB 3.07Å; L693-E697 WeakPolarHBondContact O-CG 3.5Å; L693-E697 PolarHBondContact O-N 3.34Å; Y694-E697 PolarHBondContact O-N 3.4Å; E697-L700 PolarHBondContact O-N 2.8Å; E697-K701 PolarHBondContact O-N 3.16Å |
| 698 | T | 84.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.5 | -24.3 | 175 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | Y694 E695 R702 | Y694-T698 HydrophobicContact CD1-CG2 4.38Å; Y694-T698 HydrophobicContact CD2-CG2 4.43Å; Y694-T698 HydrophobicContact CE1-CG2 4Å; Y694-T698 HydrophobicContact CE2-CG2 4.06Å; Y694-T698 WeakPolarHBondContact O-CB 3.33Å; Y694-T698 VanDerWaalsContact O-CG2 3.31Å; Y694-T698 WeakPolarHBondContact O-CG2 3.31Å; Y694-T698 PolarHBondContact O-N 3.01Å; Y694-T698 PolarHBondContact O-OG1 3.39Å; E695-T698 PolarHBondContact O-N 3.45Å; E695-T698 PolarHBondContact O-OG1 3.08Å; E695-T698 VanDerWaalsContact O-OG1 3.05Å; T698-R702 PolarHBondContact O-NE 2.84Å |
| 699 | K | 86.9 | Confident | 83.7 | Confident | 76 Ų | 76 | 79 Ų | 79 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.3 | -47.2 | 168.6 | -166.6 | -176.5 | 169.8 | -152.7 | 0 | 111 | E607 L611 E695 S696 K701 R702 V703 | E607-K699 WeakPolarHBondContact OE1-CE 3.42Å; E607-K699 IonicContact OE1-NZ 3.51Å; E607-K699 PolarHBondContact OE1-NZ 3.24Å; L611-K699 HydrophobicContact CD1-CB 4.2Å; L611-K699 HydrophobicContact CD1-CD 3.91Å; L611-K699 HydrophobicContact CD1-CG 3.82Å; L611-K699 HydrophobicContact CD2-CB 4.44Å; L611-K699 HydrophobicContact CD2-CD 3.9Å; L611-K699 HydrophobicContact CD2-CG 4.44Å; E695-K699 WeakPolarHBondContact O-CB 3.49Å; E695-K699 PolarHBondContact O-N 2.89Å; S696-K699 PolarHBondContact O-N 3.44Å; K699-K701 VanDerWaalsContact C-N 3.29Å; K699-K701 PolarHBondContact O-N 3.13Å; K699-R702 PolarHBondContact O-N 2.85Å; K699-R702 VanDerWaalsContact O-N 3.1Å; K699-V703 WeakPolarHBondContact O-CG2 3.48Å; K699-V703 PolarHBondContact O-N 2.84Å |
| 700 | L | 87.4 | Confident | 83.6 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -53.8 | -46.5 | 175.3 | 179.8 | 69.9 | 0 | 0 | 0 | 111 | H608 L611 L612 I615 S696 E697 R702 V703 M704 | H608-L700 HydrophobicContact CB-CD1 4.49Å; H608-L700 VanDerWaalsContact CD2-CD1 3.45Å; H608-L700 WeakPolarHBondContact CD2-CD1 3.33Å; L611-L700 HydrophobicContact CB-CB 4.31Å; L611-L700 HydrophobicContact CB-CD1 4.01Å; L612-L700 HydrophobicContact CD2-CD1 4.48Å; L612-L700 HydrophobicContact CD2-CD2 3.65Å; L612-L700 HydrophobicContact CG-CD1 4.09Å; L612-L700 HydrophobicContact CG-CD2 4.16Å; I615-L700 HydrophobicContact CD1-CB 3.96Å; I615-L700 HydrophobicContact CD1-CD2 3.67Å; I615-L700 HydrophobicContact CD1-CG 4.39Å; S696-L700 WeakPolarHBondContact O-CB 3.45Å; S696-L700 PolarHBondContact O-N 3.49Å; E697-L700 PolarHBondContact O-N 2.8Å; L700-R702 VanDerWaalsContact C-N 3.33Å; L700-R702 PolarHBondContact O-N 2.93Å; L700-V703 PolarHBondContact O-N 3.49Å; L700-V703 VanDerWaalsContact O-N 3.14Å; L700-M704 HydrophobicContact CG-CG 4.45Å; L700-M704 HydrophobicContact CG-SD 4.33Å; L700-M704 WeakPolarHBondContact O-CG 3.45Å; L700-M704 PolarHBondContact O-N 3.35Å |
| 701 | K | 84.8 | Confident | 83.4 | Confident | 125 Ų | 125 | 80 Ų | 80 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | 178 | -171.3 | 173.4 | -175.1 | -78.9 | 0 | 112.8 | E697 K699 M704 E705 | E697-K701 PolarHBondContact O-N 3.16Å; K699-K701 VanDerWaalsContact C-N 3.29Å; K699-K701 PolarHBondContact O-N 3.13Å; K701-M704 PolarHBondContact O-N 3.4Å; K701-E705 IonicContact NZ-OE1 2.78Å; K701-E705 PolarHBondContact NZ-OE1 2.89Å; K701-E705 WeakPolarHBondContact O-CG 3.38Å; K701-E705 PolarHBondContact O-N 2.76Å |
| 702 | R | 84.8 | Confident | 83.1 | Confident | 137 Ų | 137 | 80.2 Ų | 80.2 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 176.1 | -74.6 | 174.9 | -73.9 | 143.8 | -10 | 112.5 | T698 K699 L700 E705 N706 | T698-R702 PolarHBondContact O-NE 2.84Å; K699-R702 PolarHBondContact O-N 2.85Å; K699-R702 VanDerWaalsContact O-N 3.1Å; L700-R702 VanDerWaalsContact C-N 3.33Å; L700-R702 PolarHBondContact O-N 2.93Å; R702-E705 PolarHBondContact O-N 2.89Å; R702-N706 WeakPolarHBondContact O-CB 3.18Å; R702-N706 PolarHBondContact O-N 2.92Å |
| 703 | V | 85.5 | Confident | 82.6 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | L604 E607 H608 L611 K699 L700 N706 L707 | L604-V703 HydrophobicContact CB-CG1 4.42Å; L604-V703 HydrophobicContact CD2-CG1 4.15Å; L604-V703 WeakPolarHBondContact O-CG1 3.31Å; E607-V703 HydrophobicContact CB-CG1 4.48Å; E607-V703 HydrophobicContact CG-CG2 4.08Å; E607-V703 WeakPolarHBondContact OE2-CG2 3.5Å; H608-V703 HydrophobicContact CB-CG1 3.91Å; L611-V703 HydrophobicContact CD1-CG2 3.93Å; K699-V703 WeakPolarHBondContact O-CG2 3.48Å; K699-V703 PolarHBondContact O-N 2.84Å; L700-V703 PolarHBondContact O-N 3.49Å; L700-V703 VanDerWaalsContact O-N 3.14Å; V703-N706 PolarHBondContact O-N 2.85Å; V703-L707 WeakPolarHBondContact O-CB 3.39Å; V703-L707 PolarHBondContact O-N 2.51Å |
| 704 | M | 80.8 | Confident | 82 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 173.9 | -67.7 | -176.9 | 83.5 | 0 | 0 | 112.5 | H608 L700 K701 L707 I708 | H608-M704 VanDerWaalsContact CD2-CG 3.48Å; H608-M704 WeakPolarHBondContact CD2-CG 3.39Å; L700-M704 HydrophobicContact CG-CG 4.45Å; L700-M704 HydrophobicContact CG-SD 4.33Å; L700-M704 WeakPolarHBondContact O-CG 3.45Å; L700-M704 PolarHBondContact O-N 3.35Å; K701-M704 PolarHBondContact O-N 3.4Å; M704-L707 PolarHBondContact O-N 2.87Å; M704-I708 WeakPolarHBondContact O-CB 3.39Å; M704-I708 WeakPolarHBondContact O-CD1 3.17Å; M704-I708 VanDerWaalsContact O-CG1 3.24Å; M704-I708 WeakPolarHBondContact O-CG1 3.06Å; M704-I708 PolarHBondContact O-N 3.16Å |
| 705 | E | 83.6 | Confident | 81.5 | Confident | 96 Ų | 96 | 76.9 Ų | 76.9 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.2 | -75 | 166.6 | 178.4 | 0 | 0 | 111.5 | K701 R702 A709 | K701-E705 IonicContact NZ-OE1 2.78Å; K701-E705 PolarHBondContact NZ-OE1 2.89Å; K701-E705 WeakPolarHBondContact O-CG 3.38Å; K701-E705 PolarHBondContact O-N 2.76Å; R702-E705 PolarHBondContact O-N 2.89Å; E705-A709 PolarHBondContact O-N 3.19Å; E705-A709 VanDerWaalsContact O-N 3.07Å |
| 706 | N | 80.5 | Confident | 81 | Confident | 91 Ų | 91 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.1 | -72.7 | -9.6 | 0 | 0 | 0 | 112.6 | L604 R702 V703 I708 A709 V710 | L604-N706 HydrophobicContact CD1-CB 4.25Å; L604-N706 HydrophobicContact CD2-CB 4.35Å; R702-N706 WeakPolarHBondContact O-CB 3.18Å; R702-N706 PolarHBondContact O-N 2.92Å; V703-N706 PolarHBondContact O-N 2.85Å; N706-I708 VanDerWaalsContact C-N 3.34Å; N706-I708 PolarHBondContact O-N 3.03Å; N706-A709 WeakPolarHBondContact O-CB 3.32Å; N706-A709 PolarHBondContact O-N 2.91Å; N706-A709 VanDerWaalsContact O-N 3.16Å; N706-V710 WeakPolarHBondContact O-CG2 3.37Å; N706-V710 PolarHBondContact O-N 3.36Å |
| 707 | L | 81.2 | Confident | 80.4 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | -179.9 | -172.4 | 162.9 | 0 | 0 | 0 | 111 | L604 E605 V703 M704 R711 | L604-L707 HydrophobicContact CB-CB 4.34Å; L604-L707 HydrophobicContact CB-CD1 4.33Å; L604-L707 HydrophobicContact CB-CG 4.46Å; E605-L707 HydrophobicContact CG-CD1 3.68Å; E605-L707 HydrophobicContact CG-CG 4.45Å; V703-L707 WeakPolarHBondContact O-CB 3.39Å; V703-L707 PolarHBondContact O-N 2.51Å; M704-L707 PolarHBondContact O-N 2.87Å; L707-R711 WeakPolarHBondContact O-CB 3.13Å; L707-R711 PolarHBondContact O-N 2.92Å |
| 708 | I | 80.1 | Confident | 79.8 | Confident | 110 Ų | 110 | 80.7 Ų | 80.7 | 56% | 0.564 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 172.7 | -70 | 164.9 | 0 | 0 | 0 | 110.7 | M704 N706 H712 | M704-I708 WeakPolarHBondContact O-CB 3.39Å; M704-I708 WeakPolarHBondContact O-CD1 3.17Å; M704-I708 VanDerWaalsContact O-CG1 3.24Å; M704-I708 WeakPolarHBondContact O-CG1 3.06Å; M704-I708 PolarHBondContact O-N 3.16Å; N706-I708 VanDerWaalsContact C-N 3.34Å; N706-I708 PolarHBondContact O-N 3.03Å; I708-H712 WeakPolarHBondContact O-CB 3.34Å; I708-H712 PolarHBondContact O-N 3.47Å |
| 709 | A | 79.9 | Confident | 79.4 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -53.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E705 N706 R711 H712 E713 | E705-A709 PolarHBondContact O-N 3.19Å; E705-A709 VanDerWaalsContact O-N 3.07Å; N706-A709 WeakPolarHBondContact O-CB 3.32Å; N706-A709 PolarHBondContact O-N 2.91Å; N706-A709 VanDerWaalsContact O-N 3.16Å; A709-R711 VanDerWaalsContact C-N 3.33Å; A709-R711 PolarHBondContact O-N 3Å; A709-H712 PolarHBondContact O-N 3.04Å; A709-E713 PolarHBondContact O-N 2.66Å |
| 710 | V | 77.5 | Confident | 78.6 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | I601 L604 N706 E713 A714 | I601-V710 HydrophobicContact CD1-CG1 4.21Å; I601-V710 HydrophobicContact CG1-CB 4.37Å; I601-V710 HydrophobicContact CG1-CG1 3.68Å; L604-V710 HydrophobicContact CD1-CG2 4.28Å; N706-V710 WeakPolarHBondContact O-CG2 3.37Å; N706-V710 PolarHBondContact O-N 3.36Å; V710-E713 PolarHBondContact O-N 2.64Å; V710-A714 WeakPolarHBondContact O-CB 3.1Å; V710-A714 PolarHBondContact O-N 3.37Å |
| 711 | R | 77.7 | Confident | 77.7 | Confident | 127 Ų | 127 | 86.4 Ų | 86.4 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 174.9 | -171.1 | -179.6 | -80.7 | -172.6 | -5 | 111.9 | E605 L707 A709 Q715 | E605-R711 IonicContact OE1-CZ 3.3Å; E605-R711 IonicContact OE1-NH2 2.69Å; E605-R711 PolarHBondContact OE1-NH2 2.96Å; L707-R711 WeakPolarHBondContact O-CB 3.13Å; L707-R711 PolarHBondContact O-N 2.92Å; A709-R711 VanDerWaalsContact C-N 3.33Å; A709-R711 PolarHBondContact O-N 3Å; R711-Q715 VanDerWaalsContact O-CB 3.28Å; R711-Q715 WeakPolarHBondContact O-CB 3.5Å; R711-Q715 PolarHBondContact O-N 2.9Å |
| 712 | H | 78.2 | Confident | 77 | Confident | 133 Ų | 133 | 83.4 Ų | 83.4 | 62% | 0.616 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.9 | -40 | 173.2 | -173 | -76.5 | 0 | 0 | 0 | 111.9 | I708 A709 Q715 S716 | I708-H712 WeakPolarHBondContact O-CB 3.34Å; I708-H712 PolarHBondContact O-N 3.47Å; A709-H712 PolarHBondContact O-N 3.04Å; H712-Q715 PolarHBondContact O-N 3.39Å; H712-S716 PolarHBondContact O-N 3.35Å; H712-S716 PolarHBondContact O-OG 3.06Å |
| 713 | E | 75.3 | Confident | 76.4 | Confident | 99 Ų | 99 | 80 Ų | 80 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 174.3 | -176.3 | 178.2 | -176 | 0 | 0 | 111.6 | A709 V710 Q715 S716 F717 | A709-E713 PolarHBondContact O-N 2.66Å; V710-E713 PolarHBondContact O-N 2.64Å; E713-Q715 VanDerWaalsContact C-N 3.27Å; E713-Q715 PolarHBondContact O-N 3.29Å; E713-S716 WeakPolarHBondContact CA-OG 3.35Å; E713-S716 PolarHBondContact O-N 2.94Å; E713-S716 VanDerWaalsContact O-N 3.1Å; E713-S716 PolarHBondContact O-OG 3.05Å; E713-F717 HydrophobicContact CG-CD2 3.93Å; E713-F717 HydrophobicContact CG-CE2 3.64Å; E713-F717 VanDerWaalsContact O-CD2 3.28Å; E713-F717 WeakPolarHBondContact O-CD2 3.07Å; E713-F717 PolarHBondContact O-N 2.94Å |
| 714 | A | 73.4 | Confident | 75.7 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I601 V710 K718 | I601-A714 HydrophobicContact CD1-CB 4.06Å; V710-A714 WeakPolarHBondContact O-CB 3.1Å; V710-A714 PolarHBondContact O-N 3.37Å; A714-K718 PolarHBondContact O-N 3.13Å |
| 715 | Q | 74.9 | Confident | 75 | Confident | 119 Ų | 119 | 84.5 Ų | 84.5 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.9 | -33.9 | 174.6 | -170.8 | 169 | 0.4 | 0 | 0 | 112.4 | R711 H712 E713 K718 L719 | R711-Q715 VanDerWaalsContact O-CB 3.28Å; R711-Q715 WeakPolarHBondContact O-CB 3.5Å; R711-Q715 PolarHBondContact O-N 2.9Å; H712-Q715 PolarHBondContact O-N 3.39Å; E713-Q715 VanDerWaalsContact C-N 3.27Å; E713-Q715 PolarHBondContact O-N 3.29Å; Q715-K718 PolarHBondContact O-N 2.66Å; Q715-L719 WeakPolarHBondContact O-CG 3.17Å; Q715-L719 PolarHBondContact O-N 3.5Å; Q715-L719 VanDerWaalsContact O-N 3.07Å |
| 716 | S | 76 | Confident | 74.5 | Confident | 58 Ų | 58 | 85.3 Ų | 85.3 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | H712 E713 K718 L719 G720 | H712-S716 PolarHBondContact O-N 3.35Å; H712-S716 PolarHBondContact O-OG 3.06Å; E713-S716 WeakPolarHBondContact CA-OG 3.35Å; E713-S716 PolarHBondContact O-N 2.94Å; E713-S716 VanDerWaalsContact O-N 3.1Å; E713-S716 PolarHBondContact O-OG 3.05Å; S716-K718 VanDerWaalsContact C-N 3.33Å; S716-K718 PolarHBondContact O-N 3.23Å; S716-L719 PolarHBondContact O-N 2.84Å; S716-G720 PolarHBondContact O-N 3.34Å |
| 717 | F | 70.1 | Confident | 74 | Confident | 100 Ų | 100 | 86.1 Ų | 86.1 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 171.5 | -81.4 | -63.2 | 0 | 0 | 0 | 111.7 | E713 L719 G720 W721 | E713-F717 HydrophobicContact CG-CD2 3.93Å; E713-F717 HydrophobicContact CG-CE2 3.64Å; E713-F717 VanDerWaalsContact O-CD2 3.28Å; E713-F717 WeakPolarHBondContact O-CD2 3.07Å; E713-F717 PolarHBondContact O-N 2.94Å; F717-L719 VanDerWaalsContact C-N 3.34Å; F717-L719 PolarHBondContact O-N 3.27Å; F717-G720 PolarHBondContact O-N 2.83Å; F717-W721 WeakPolarHBondContact O-CB 3.45Å; F717-W721 PolarHBondContact O-N 3.45Å |
| 718 | K | 73.1 | Confident | 73.4 | Confident | 122 Ų | 122 | 91.9 Ų | 91.9 | 53% | 0.53 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.9 | -170.8 | 174.4 | -172.6 | -86.1 | 0 | 112.6 | A714 Q715 S716 E722 | A714-K718 PolarHBondContact O-N 3.13Å; Q715-K718 PolarHBondContact O-N 2.66Å; S716-K718 VanDerWaalsContact C-N 3.33Å; S716-K718 PolarHBondContact O-N 3.23Å; K718-E722 IonicContact NZ-OE1 3.13Å; K718-E722 PolarHBondContact NZ-OE1 3.43Å; K718-E722 WeakPolarHBondContact O-CB 3.16Å; K718-E722 WeakPolarHBondContact O-CG 3.13Å; K718-E722 PolarHBondContact O-N 2.74Å |
| 719 | L | 74.8 | Confident | 72.6 | Confident | 104 Ų | 104 | 92 Ų | 92 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.3 | -32.8 | 176.9 | -71.9 | 169.6 | 0 | 0 | 0 | 112.8 | Q715 S716 F717 S723 | Q715-L719 WeakPolarHBondContact O-CG 3.17Å; Q715-L719 PolarHBondContact O-N 3.5Å; Q715-L719 VanDerWaalsContact O-N 3.07Å; S716-L719 PolarHBondContact O-N 2.84Å; F717-L719 VanDerWaalsContact C-N 3.34Å; F717-L719 PolarHBondContact O-N 3.27Å; L719-S723 PolarHBondContact O-N 2.98Å |
| 720 | G | 71.4 | Confident | 72.4 | Confident | 30 Ų | 30 | 94.7 Ų | 94.7 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | S716 F717 E722 S723 E724 | S716-G720 PolarHBondContact O-N 3.34Å; F717-G720 PolarHBondContact O-N 2.83Å; G720-E722 VanDerWaalsContact C-N 3.35Å; G720-E722 PolarHBondContact O-N 3.25Å; G720-S723 CarbonylContact O-C 3.58Å; G720-S723 VanDerWaalsContact O-CA 3.32Å; G720-S723 WeakPolarHBondContact O-CA 3.49Å; G720-S723 VanDerWaalsContact O-CB 3.23Å; G720-S723 WeakPolarHBondContact O-CB 3.34Å; G720-S723 PolarHBondContact O-N 3.41Å; G720-E724 PolarHBondContact O-N 3.12Å |
| 721 | W | 68.2 | Low | 72.2 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 177 | -169.3 | 75.9 | 0 | 0 | 0 | 112.6 | F717 S723 E724 Q725 | F717-W721 WeakPolarHBondContact O-CB 3.45Å; F717-W721 PolarHBondContact O-N 3.45Å; W721-S723 PolarHBondContact O-N 3.08Å; W721-E724 PolarHBondContact O-N 2.84Å; W721-Q725 WeakPolarHBondContact O-CB 3.13Å; W721-Q725 PolarHBondContact O-N 2.65Å |
| 722 | E | 70.2 | Confident | 71.5 | Confident | 62 Ų | 62 | 100.3 Ų | 100.3 | 29% | 0.29 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -13 | 171.3 | -77.6 | -179.2 | -154.8 | 0 | 0 | 113.6 | K718 G720 K726 | K718-E722 IonicContact NZ-OE1 3.13Å; K718-E722 PolarHBondContact NZ-OE1 3.43Å; K718-E722 WeakPolarHBondContact O-CB 3.16Å; K718-E722 WeakPolarHBondContact O-CG 3.13Å; K718-E722 PolarHBondContact O-N 2.74Å; G720-E722 VanDerWaalsContact C-N 3.35Å; G720-E722 PolarHBondContact O-N 3.25Å; E722-K726 WeakPolarHBondContact O-CD 3.48Å; E722-K726 WeakPolarHBondContact O-CE 3.41Å; E722-K726 VanDerWaalsContact O-CG 3.31Å; E722-K726 WeakPolarHBondContact O-CG 3.36Å; E722-K726 PolarHBondContact O-NZ 3.44Å |
| 723 | S | 71.3 | Confident | 71.2 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 47% | 0.469 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -92.9 | -48.2 | 172.7 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | L719 G720 W721 Q725 K726 E727 | L719-S723 PolarHBondContact O-N 2.98Å; G720-S723 CarbonylContact O-C 3.58Å; G720-S723 VanDerWaalsContact O-CA 3.32Å; G720-S723 WeakPolarHBondContact O-CA 3.49Å; G720-S723 VanDerWaalsContact O-CB 3.23Å; G720-S723 WeakPolarHBondContact O-CB 3.34Å; G720-S723 PolarHBondContact O-N 3.41Å; W721-S723 PolarHBondContact O-N 3.08Å; S723-Q725 VanDerWaalsContact C-N 3.32Å; S723-Q725 PolarHBondContact O-N 3.42Å; S723-K726 WeakPolarHBondContact O-CA 3.27Å; S723-K726 WeakPolarHBondContact O-CB 3.35Å; S723-K726 PolarHBondContact O-N 2.79Å; S723-E727 WeakPolarHBondContact O-CG 3.49Å; S723-E727 PolarHBondContact O-N 2.76Å |
| 724 | E | 70.3 | Confident | 71.3 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 174 | -71 | 159.8 | 179.1 | 0 | 0 | 111 | G720 W721 K726 E727 W728 | G720-E724 PolarHBondContact O-N 3.12Å; W721-E724 PolarHBondContact O-N 2.84Å; E724-K726 PolarHBondContact O-N 2.71Å; E724-K726 VanDerWaalsContact O-N 3.17Å; E724-E727 WeakPolarHBondContact O-CA 3.26Å; E724-E727 WeakPolarHBondContact O-CB 3.46Å; E724-E727 PolarHBondContact O-N 2.8Å; E724-W728 PolarHBondContact O-N 2.67Å |
| 725 | Q | 66.2 | Low | 70.9 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.7 | -30.1 | 174.8 | -170.2 | 178.9 | 38.5 | 0 | 0 | 112.8 | W721 S723 M729 | W721-Q725 WeakPolarHBondContact O-CB 3.13Å; W721-Q725 PolarHBondContact O-N 2.65Å; S723-Q725 VanDerWaalsContact C-N 3.32Å; S723-Q725 PolarHBondContact O-N 3.42Å; Q725-M729 WeakPolarHBondContact O-CG 3.31Å; Q725-M729 PolarHBondContact O-N 2.78Å; Q725-M729 VanDerWaalsContact O-N 3.11Å |
| 726 | K | 73.3 | Confident | 70.4 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78.3 | -29.9 | 174.4 | -68.1 | 176.8 | -172.5 | 100.7 | 0 | 112.3 | E722 S723 E724 K730 | E722-K726 WeakPolarHBondContact O-CD 3.48Å; E722-K726 WeakPolarHBondContact O-CE 3.41Å; E722-K726 VanDerWaalsContact O-CG 3.31Å; E722-K726 WeakPolarHBondContact O-CG 3.36Å; E722-K726 PolarHBondContact O-NZ 3.44Å; S723-K726 WeakPolarHBondContact O-CA 3.27Å; S723-K726 WeakPolarHBondContact O-CB 3.35Å; S723-K726 PolarHBondContact O-N 2.79Å; E724-K726 PolarHBondContact O-N 2.71Å; E724-K726 VanDerWaalsContact O-N 3.17Å; K726-K730 WeakPolarHBondContact O-CG 3.27Å; K726-K730 PolarHBondContact O-N 3.45Å |
| 727 | E | 71.9 | Confident | 70.4 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.8 | -47.2 | 173.8 | -56.2 | -99.5 | 91.4 | 0 | 0 | 109.5 | S723 E724 M729 K730 E731 | S723-E727 WeakPolarHBondContact O-CG 3.49Å; S723-E727 PolarHBondContact O-N 2.76Å; E724-E727 WeakPolarHBondContact O-CA 3.26Å; E724-E727 WeakPolarHBondContact O-CB 3.46Å; E724-E727 PolarHBondContact O-N 2.8Å; E727-M729 VanDerWaalsContact C-N 3.3Å; E727-M729 PolarHBondContact O-N 3.28Å; E727-K730 WeakPolarHBondContact O-CB 3.46Å; E727-K730 PolarHBondContact O-N 3.35Å; E727-K730 IonicContact OE1-NZ 2.66Å; E727-K730 PolarHBondContact OE1-NZ 2.91Å; E727-E731 PolarHBondContact O-N 2.85Å |
| 728 | W | 66.8 | Low | 70.8 | Confident | 141 Ų | 141 | 105.3 Ų | 105.3 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 172.4 | -69.9 | -7.1 | 0 | 0 | 0 | 113.1 | E724 R732 | E724-W728 PolarHBondContact O-N 2.67Å; W728-R732 WeakPolarHBondContact O-CB 3.4Å; W728-R732 PolarHBondContact O-N 3.4Å |
| 729 | M | 63.8 | Low | 70.7 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 173.8 | -75.3 | -157 | -51.4 | 0 | 0 | 112.7 | Q725 E727 R732 E733 | Q725-M729 WeakPolarHBondContact O-CG 3.31Å; Q725-M729 PolarHBondContact O-N 2.78Å; Q725-M729 VanDerWaalsContact O-N 3.11Å; E727-M729 VanDerWaalsContact C-N 3.3Å; E727-M729 PolarHBondContact O-N 3.28Å; M729-R732 PolarHBondContact O-N 3.04Å; M729-E733 WeakPolarHBondContact O-CB 3.37Å; M729-E733 WeakPolarHBondContact O-CG 3.4Å; M729-E733 PolarHBondContact O-N 3.23Å |
| 730 | K | 76.3 | Confident | 70.9 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.5 | -63.7 | 166.1 | -162.4 | 166.2 | 0 | 111.9 | K726 E727 E733 L734 | K726-K730 WeakPolarHBondContact O-CG 3.27Å; K726-K730 PolarHBondContact O-N 3.45Å; E727-K730 WeakPolarHBondContact O-CB 3.46Å; E727-K730 PolarHBondContact O-N 3.35Å; E727-K730 IonicContact OE1-NZ 2.66Å; E727-K730 PolarHBondContact OE1-NZ 2.91Å; K730-E733 PolarHBondContact O-N 2.92Å; K730-L734 WeakPolarHBondContact O-CB 3.4Å; K730-L734 PolarHBondContact O-N 2.93Å |
| 731 | E | 72.2 | Confident | 71.3 | Confident | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 179.8 | -178.2 | 160.1 | -137.8 | 0 | 0 | 111.1 | E727 L734 L735 | E727-E731 PolarHBondContact O-N 2.85Å; E731-L734 PolarHBondContact O-N 3.42Å; E731-L735 HydrophobicContact CG-CD1 4.2Å; E731-L735 WeakPolarHBondContact O-CB 3.38Å; E731-L735 WeakPolarHBondContact O-CG 3.42Å; E731-L735 PolarHBondContact O-N 3.48Å |
| 732 | R | 64.3 | Low | 71.6 | Confident | 157 Ų | 157 | 105.2 Ų | 105.2 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 169.7 | -179.2 | 177.8 | 162.7 | -150.9 | -17.4 | 112.3 | W728 M729 L734 L735 E736 | W728-R732 WeakPolarHBondContact O-CB 3.4Å; W728-R732 PolarHBondContact O-N 3.4Å; M729-R732 PolarHBondContact O-N 3.04Å; R732-L734 VanDerWaalsContact C-N 3.32Å; R732-L734 PolarHBondContact O-N 2.87Å; R732-L735 PolarHBondContact O-N 3.35Å; R732-E736 HydrophobicContact CG-CG 4.39Å; R732-E736 IonicContact CZ-OE1 2.77Å; R732-E736 IonicContact NE-OE1 3.7Å; R732-E736 PolarHBondContact NE-OE1 3.03Å; R732-E736 IonicContact NH2-OE1 3.06Å; R732-E736 PolarHBondContact NH2-OE1 2.92Å; R732-E736 WeakPolarHBondContact O-CB 3.35Å; R732-E736 WeakPolarHBondContact O-CG 3.41Å; R732-E736 PolarHBondContact O-N 2.8Å |
| 733 | E | 70.8 | Confident | 71.7 | Confident | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 174 | -77.5 | 173.1 | 170.8 | 0 | 0 | 111.2 | M729 K730 E736 E737 | M729-E733 WeakPolarHBondContact O-CB 3.37Å; M729-E733 WeakPolarHBondContact O-CG 3.4Å; M729-E733 PolarHBondContact O-N 3.23Å; K730-E733 PolarHBondContact O-N 2.92Å; E733-E736 PolarHBondContact O-N 2.83Å; E733-E737 WeakPolarHBondContact O-CB 3.35Å; E733-E737 PolarHBondContact O-N 3.46Å |
| 734 | L | 77.5 | Confident | 71.9 | Confident | 89 Ų | 89 | 106.3 Ų | 106.3 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.1 | -170 | 73.4 | 0 | 0 | 0 | 112.7 | K730 E731 R732 K738 | K730-L734 WeakPolarHBondContact O-CB 3.4Å; K730-L734 PolarHBondContact O-N 2.93Å; E731-L734 PolarHBondContact O-N 3.42Å; R732-L734 VanDerWaalsContact C-N 3.32Å; R732-L734 PolarHBondContact O-N 2.87Å; L734-K738 WeakPolarHBondContact O-CB 3.49Å; L734-K738 VanDerWaalsContact O-CG 3.31Å; L734-K738 WeakPolarHBondContact O-CG 2.94Å; L734-K738 PolarHBondContact O-N 3.02Å |
| 735 | L | 66.6 | Low | 72.3 | Confident | 86 Ų | 86 | 108 Ų | 108 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.2 | -41.1 | 175 | -74.2 | 168.3 | 0 | 0 | 0 | 111.8 | E731 R732 E737 K738 I739 | E731-L735 HydrophobicContact CG-CD1 4.2Å; E731-L735 WeakPolarHBondContact O-CB 3.38Å; E731-L735 WeakPolarHBondContact O-CG 3.42Å; E731-L735 PolarHBondContact O-N 3.48Å; R732-L735 PolarHBondContact O-N 3.35Å; L735-E737 VanDerWaalsContact C-N 3.32Å; L735-E737 PolarHBondContact O-N 3.09Å; L735-K738 PolarHBondContact O-N 3.44Å; L735-I739 WeakPolarHBondContact O-CB 3.41Å; L735-I739 WeakPolarHBondContact O-CD1 3.41Å; L735-I739 WeakPolarHBondContact O-CG1 3.43Å; L735-I739 PolarHBondContact O-N 3.01Å |
| 736 | E | 63.8 | Low | 72.6 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 173 | -75.3 | -176.5 | -169.3 | 0 | 0 | 111.2 | R732 E733 K740 | R732-E736 HydrophobicContact CG-CG 4.39Å; R732-E736 IonicContact CZ-OE1 2.77Å; R732-E736 IonicContact NE-OE1 3.7Å; R732-E736 PolarHBondContact NE-OE1 3.03Å; R732-E736 IonicContact NH2-OE1 3.06Å; R732-E736 PolarHBondContact NH2-OE1 2.92Å; R732-E736 WeakPolarHBondContact O-CB 3.35Å; R732-E736 WeakPolarHBondContact O-CG 3.41Å; R732-E736 PolarHBondContact O-N 2.8Å; E733-E736 PolarHBondContact O-N 2.83Å; E736-K740 VanDerWaalsContact O-CB 3.22Å; E736-K740 WeakPolarHBondContact O-CB 3.26Å; E736-K740 PolarHBondContact O-N 3.4Å |
| 737 | E | 76.8 | Confident | 72.5 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 172.5 | -175.9 | 164.6 | -132.9 | 0 | 0 | 112.5 | E733 L735 K740 I741 | E733-E737 WeakPolarHBondContact O-CB 3.35Å; E733-E737 PolarHBondContact O-N 3.46Å; L735-E737 VanDerWaalsContact C-N 3.32Å; L735-E737 PolarHBondContact O-N 3.09Å; E737-K740 PolarHBondContact O-N 3.45Å; E737-I741 HydrophobicContact CG-CD1 3.9Å; E737-I741 VanDerWaalsContact O-CG1 3.31Å; E737-I741 WeakPolarHBondContact O-CG1 3.48Å; E737-I741 PolarHBondContact O-N 3.36Å |
| 738 | K | 77.9 | Confident | 72.8 | Confident | 127 Ų | 127 | 106.7 Ų | 106.7 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -45.8 | 174.1 | -77.7 | 172.7 | 179.8 | 176.7 | 0 | 112.4 | L734 L735 K740 I741 S742 | L734-K738 WeakPolarHBondContact O-CB 3.49Å; L734-K738 VanDerWaalsContact O-CG 3.31Å; L734-K738 WeakPolarHBondContact O-CG 2.94Å; L734-K738 PolarHBondContact O-N 3.02Å; L735-K738 PolarHBondContact O-N 3.44Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K738-I741 PolarHBondContact O-N 3.02Å; K738-S742 WeakPolarHBondContact O-CB 3.37Å; K738-S742 PolarHBondContact O-N 2.94Å |
| 739 | I | 71.2 | Confident | 73.3 | Confident | 107 Ų | 107 | 102.6 Ų | 102.6 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.9 | -72.2 | 164.7 | 0 | 0 | 0 | 109.7 | L735 S742 V743 | L735-I739 WeakPolarHBondContact O-CB 3.41Å; L735-I739 WeakPolarHBondContact O-CD1 3.41Å; L735-I739 WeakPolarHBondContact O-CG1 3.43Å; L735-I739 PolarHBondContact O-N 3.01Å; I739-S742 PolarHBondContact O-N 3.41Å; I739-V743 HydrophobicContact CG2-CG2 4.34Å; I739-V743 WeakPolarHBondContact O-CB 3.4Å; I739-V743 WeakPolarHBondContact O-CG2 3.43Å; I739-V743 PolarHBondContact O-N 2.92Å |
| 740 | K | 77.6 | Confident | 73.5 | Confident | 127 Ų | 127 | 102 Ų | 102 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -48.8 | 176.6 | -175.2 | -163.8 | 166.9 | -152 | 0 | 111.6 | E736 E737 K738 S742 V743 D744 | E736-K740 VanDerWaalsContact O-CB 3.22Å; E736-K740 WeakPolarHBondContact O-CB 3.26Å; E736-K740 PolarHBondContact O-N 3.4Å; E737-K740 PolarHBondContact O-N 3.45Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K740-S742 VanDerWaalsContact C-N 3.31Å; K740-S742 PolarHBondContact O-N 2.97Å; K740-V743 PolarHBondContact O-N 3.35Å; K740-D744 WeakPolarHBondContact CE-OD2 3.44Å; K740-D744 WeakPolarHBondContact O-CB 3.34Å; K740-D744 VanDerWaalsContact O-CG 3.26Å; K740-D744 PolarHBondContact O-N 3.39Å |
| 741 | I | 81.4 | Confident | 73.2 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 178.5 | -69.2 | 165.5 | 0 | 0 | 0 | 111 | E737 K738 D744 Q745 | E737-I741 HydrophobicContact CG-CD1 3.9Å; E737-I741 VanDerWaalsContact O-CG1 3.31Å; E737-I741 WeakPolarHBondContact O-CG1 3.48Å; E737-I741 PolarHBondContact O-N 3.36Å; K738-I741 PolarHBondContact O-N 3.02Å; I741-D744 PolarHBondContact O-N 2.95Å; I741-Q745 WeakPolarHBondContact O-CB 3.48Å; I741-Q745 VanDerWaalsContact O-CG 3.23Å; I741-Q745 WeakPolarHBondContact O-CG 3.08Å; I741-Q745 PolarHBondContact O-N 3.44Å |
| 742 | S | 73.4 | Confident | 73.6 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | K738 I739 K740 K746 | K738-S742 WeakPolarHBondContact O-CB 3.37Å; K738-S742 PolarHBondContact O-N 2.94Å; I739-S742 PolarHBondContact O-N 3.41Å; K740-S742 VanDerWaalsContact C-N 3.31Å; K740-S742 PolarHBondContact O-N 2.97Å; S742-K746 WeakPolarHBondContact O-CB 3.45Å; S742-K746 PolarHBondContact O-N 3.44Å |
| 743 | V | 72.9 | Confident | 74.1 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | I739 K740 K746 T747 | I739-V743 HydrophobicContact CG2-CG2 4.34Å; I739-V743 WeakPolarHBondContact O-CB 3.4Å; I739-V743 WeakPolarHBondContact O-CG2 3.43Å; I739-V743 PolarHBondContact O-N 2.92Å; K740-V743 PolarHBondContact O-N 3.35Å; V743-K746 PolarHBondContact O-N 3.43Å; V743-T747 VanDerWaalsContact O-CB 3.29Å; V743-T747 WeakPolarHBondContact O-CB 3.34Å; V743-T747 PolarHBondContact O-N 3.39Å; V743-T747 PolarHBondContact O-OG1 3.41Å |
| 744 | D | 75 | Confident | 74.1 | Confident | 76 Ų | 76 | 97 Ų | 97 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.4 | -72.1 | -17.3 | 0 | 0 | 0 | 110 | K740 I741 T747 V748 | K740-D744 WeakPolarHBondContact CE-OD2 3.44Å; K740-D744 WeakPolarHBondContact O-CB 3.34Å; K740-D744 VanDerWaalsContact O-CG 3.26Å; K740-D744 PolarHBondContact O-N 3.39Å; I741-D744 PolarHBondContact O-N 2.95Å; D744-T747 PolarHBondContact O-N 3.17Å; D744-V748 WeakPolarHBondContact O-CG2 3.43Å; D744-V748 PolarHBondContact O-N 3.16Å |
| 745 | Q | 78.2 | Confident | 74 | Confident | 132 Ų | 132 | 95.9 Ų | 95.9 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.2 | -47.6 | 174.1 | -75.6 | 172.8 | -1.1 | 0 | 0 | 112.6 | I741 T747 V748 A749 | I741-Q745 WeakPolarHBondContact O-CB 3.48Å; I741-Q745 VanDerWaalsContact O-CG 3.23Å; I741-Q745 WeakPolarHBondContact O-CG 3.08Å; I741-Q745 PolarHBondContact O-N 3.44Å; Q745-T747 VanDerWaalsContact C-N 3.31Å; Q745-T747 PolarHBondContact O-N 2.95Å; Q745-V748 PolarHBondContact O-N 3.02Å; Q745-A749 PolarHBondContact O-N 3.21Å |
| 746 | K | 73.8 | Confident | 74.6 | Confident | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.7 | -28.4 | -178.8 | -158.2 | 153.7 | -168.5 | 155.5 | 0 | 112.4 | S742 V743 L750 | S742-K746 WeakPolarHBondContact O-CB 3.45Å; S742-K746 PolarHBondContact O-N 3.44Å; V743-K746 PolarHBondContact O-N 3.43Å; K746-L750 WeakPolarHBondContact O-CB 3.49Å; K746-L750 WeakPolarHBondContact O-CD1 3.19Å; K746-L750 VanDerWaalsContact O-CG 3.29Å; K746-L750 WeakPolarHBondContact O-CG 3.26Å; K746-L750 PolarHBondContact O-N 2.98Å; K746-L750 VanDerWaalsContact O-N 3.07Å |
| 747 | T | 70.7 | Confident | 75.1 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -48.2 | 172.1 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | V743 D744 Q745 A749 L750 E751 | V743-T747 VanDerWaalsContact O-CB 3.29Å; V743-T747 WeakPolarHBondContact O-CB 3.34Å; V743-T747 PolarHBondContact O-N 3.39Å; V743-T747 PolarHBondContact O-OG1 3.41Å; D744-T747 PolarHBondContact O-N 3.17Å; Q745-T747 VanDerWaalsContact C-N 3.31Å; Q745-T747 PolarHBondContact O-N 2.95Å; T747-A749 VanDerWaalsContact C-N 3.3Å; T747-A749 PolarHBondContact O-N 3.48Å; T747-L750 PolarHBondContact O-N 3.01Å; T747-E751 HydrophobicContact CG2-CG 4.43Å; T747-E751 WeakPolarHBondContact O-CG 3.09Å; T747-E751 PolarHBondContact O-N 2.77Å |
| 748 | V | 79 | Confident | 74.9 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.7 | D744 Q745 E751 N752 | D744-V748 WeakPolarHBondContact O-CG2 3.43Å; D744-V748 PolarHBondContact O-N 3.16Å; Q745-V748 PolarHBondContact O-N 3.02Å; V748-E751 PolarHBondContact O-N 3.12Å; V748-N752 VanDerWaalsContact O-CG 3.23Å; V748-N752 PolarHBondContact O-N 3.19Å; V748-N752 PolarHBondContact O-ND2 2.73Å |
| 749 | A | 76.2 | Confident | 75 | Confident | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q745 T747 N752 E753 | Q745-A749 PolarHBondContact O-N 3.21Å; T747-A749 VanDerWaalsContact C-N 3.3Å; T747-A749 PolarHBondContact O-N 3.48Å; A749-N752 PolarHBondContact O-N 3.49Å; A749-E753 PolarHBondContact O-N 2.62Å |
| 750 | L | 67.6 | Low | 75.3 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.8 | -31.3 | 177 | -72.7 | 165.9 | 0 | 0 | 0 | 112.9 | K746 T747 L754 | K746-L750 WeakPolarHBondContact O-CB 3.49Å; K746-L750 WeakPolarHBondContact O-CD1 3.19Å; K746-L750 VanDerWaalsContact O-CG 3.29Å; K746-L750 WeakPolarHBondContact O-CG 3.26Å; K746-L750 PolarHBondContact O-N 2.98Å; K746-L750 VanDerWaalsContact O-N 3.07Å; T747-L750 PolarHBondContact O-N 3.01Å; L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 PolarHBondContact O-N 2.76Å |
| 751 | E | 71.1 | Confident | 75 | Confident | 118 Ų | 118 | 93.1 Ų | 93.1 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 173.3 | -75.5 | -175.6 | 154.2 | 0 | 0 | 111.4 | T747 V748 L754 T755 | T747-E751 HydrophobicContact CG2-CG 4.43Å; T747-E751 WeakPolarHBondContact O-CG 3.09Å; T747-E751 PolarHBondContact O-N 2.77Å; V748-E751 PolarHBondContact O-N 3.12Å; E751-L754 PolarHBondContact O-N 3.16Å; E751-T755 PolarHBondContact O-N 3.42Å; E751-T755 PolarHBondContact O-OG1 2.67Å |
| 752 | N | 79.4 | Confident | 74.8 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.4 | -69.6 | -25.8 | 0 | 0 | 0 | 111.8 | V748 A749 L754 T755 T756 | V748-N752 VanDerWaalsContact O-CG 3.23Å; V748-N752 PolarHBondContact O-N 3.19Å; V748-N752 PolarHBondContact O-ND2 2.73Å; A749-N752 PolarHBondContact O-N 3.49Å; N752-L754 VanDerWaalsContact C-N 3.3Å; N752-L754 PolarHBondContact O-N 3.05Å; N752-T755 WeakPolarHBondContact CA-OG1 3.17Å; N752-T755 PolarHBondContact O-N 3.15Å; N752-T755 VanDerWaalsContact O-N 3.14Å; N752-T755 PolarHBondContact O-OG1 2.96Å; N752-T756 PolarHBondContact O-N 2.87Å; N752-T756 PolarHBondContact O-OG1 2.66Å |
| 753 | E | 75.3 | Confident | 75.1 | Confident | 110 Ų | 110 | 93.9 Ų | 93.9 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 174.1 | -169.7 | -178.4 | -167.3 | 0 | 0 | 111.6 | A749 T755 T756 L757 | A749-E753 PolarHBondContact O-N 2.62Å; E753-T755 VanDerWaalsContact C-N 3.34Å; E753-T755 PolarHBondContact O-N 2.99Å; E753-T756 PolarHBondContact O-N 2.82Å; E753-T756 PolarHBondContact O-OG1 2.83Å; E753-T756 VanDerWaalsContact O-OG1 3.11Å; E753-L757 HydrophobicContact CG-CD1 4.36Å; E753-L757 WeakPolarHBondContact O-CB 3.28Å; E753-L757 PolarHBondContact O-N 3.09Å |
| 754 | L | 70.3 | Confident | 75.2 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -29.1 | 174.3 | -168.9 | 76.1 | 0 | 0 | 0 | 112.6 | L750 E751 N752 K758 | L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 PolarHBondContact O-N 2.76Å; E751-L754 PolarHBondContact O-N 3.16Å; N752-L754 VanDerWaalsContact C-N 3.3Å; N752-L754 PolarHBondContact O-N 3.05Å; L754-K758 WeakPolarHBondContact O-CD 3.17Å; L754-K758 WeakPolarHBondContact O-CG 3.34Å; L754-K758 PolarHBondContact O-N 3.45Å |
| 755 | T | 77 | Confident | 75.1 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.8 | -45.9 | 172.4 | 43 | 0 | 0 | 0 | 0 | 112.2 | E751 N752 E753 L757 K758 E759 | E751-T755 PolarHBondContact O-N 3.42Å; E751-T755 PolarHBondContact O-OG1 2.67Å; N752-T755 WeakPolarHBondContact CA-OG1 3.17Å; N752-T755 PolarHBondContact O-N 3.15Å; N752-T755 VanDerWaalsContact O-N 3.14Å; N752-T755 PolarHBondContact O-OG1 2.96Å; E753-T755 VanDerWaalsContact C-N 3.34Å; E753-T755 PolarHBondContact O-N 2.99Å; T755-L757 VanDerWaalsContact C-N 3.35Å; T755-L757 PolarHBondContact O-N 2.9Å; T755-K758 WeakPolarHBondContact O-CB 3.37Å; T755-K758 PolarHBondContact O-N 2.92Å; T755-K758 VanDerWaalsContact O-N 3.08Å; T755-E759 WeakPolarHBondContact O-CG 3.42Å; T755-E759 PolarHBondContact O-N 2.9Å |
| 756 | T | 78.4 | Confident | 75.1 | Confident | 70 Ų | 70 | 96.3 Ų | 96.3 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | N752 E753 K758 E759 N760 | N752-T756 PolarHBondContact O-N 2.87Å; N752-T756 PolarHBondContact O-OG1 2.66Å; E753-T756 PolarHBondContact O-N 2.82Å; E753-T756 PolarHBondContact O-OG1 2.83Å; E753-T756 VanDerWaalsContact O-OG1 3.11Å; T756-K758 VanDerWaalsContact C-N 3.31Å; T756-K758 PolarHBondContact O-N 2.88Å; T756-E759 PolarHBondContact O-N 3.24Å; T756-N760 WeakPolarHBondContact O-CB 3.31Å; T756-N760 PolarHBondContact O-N 2.97Å; T756-N760 PolarHBondContact O-OD1 2.84Å |
| 757 | L | 74.2 | Confident | 75.5 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 171 | -92.2 | 161.8 | 0 | 0 | 0 | 113.2 | E753 T755 N761 | E753-L757 HydrophobicContact CG-CD1 4.36Å; E753-L757 WeakPolarHBondContact O-CB 3.28Å; E753-L757 PolarHBondContact O-N 3.09Å; T755-L757 VanDerWaalsContact C-N 3.35Å; T755-L757 PolarHBondContact O-N 2.9Å; L757-N761 VanDerWaalsContact O-CB 3.27Å; L757-N761 WeakPolarHBondContact O-CB 3.41Å; L757-N761 PolarHBondContact O-N 2.78Å |
| 758 | K | 72.2 | Confident | 75.8 | Confident | 126 Ų | 126 | 94.4 Ų | 94.4 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.7 | -38 | 175.3 | -75.6 | 166.5 | -173.4 | 160.4 | 0 | 112.4 | L754 T755 T756 N761 A762 | L754-K758 WeakPolarHBondContact O-CD 3.17Å; L754-K758 WeakPolarHBondContact O-CG 3.34Å; L754-K758 PolarHBondContact O-N 3.45Å; T755-K758 WeakPolarHBondContact O-CB 3.37Å; T755-K758 PolarHBondContact O-N 2.92Å; T755-K758 VanDerWaalsContact O-N 3.08Å; T756-K758 VanDerWaalsContact C-N 3.31Å; T756-K758 PolarHBondContact O-N 2.88Å; K758-N761 PolarHBondContact O-N 2.83Å; K758-A762 WeakPolarHBondContact O-CB 3.3Å; K758-A762 PolarHBondContact O-N 2.66Å |
| 759 | E | 80.3 | Confident | 75.7 | Confident | 132 Ų | 132 | 91.6 Ų | 91.6 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.2 | -47.7 | 175.2 | -70.7 | 172.7 | 160.3 | 0 | 0 | 110.2 | T755 T756 N761 A762 E763 | T755-E759 WeakPolarHBondContact O-CG 3.42Å; T755-E759 PolarHBondContact O-N 2.9Å; T756-E759 PolarHBondContact O-N 3.24Å; E759-N761 VanDerWaalsContact C-N 3.34Å; E759-N761 PolarHBondContact O-N 3.08Å; E759-A762 PolarHBondContact O-N 3.26Å; E759-E763 PolarHBondContact O-N 3.21Å |
| 760 | N | 77.9 | Confident | 75.9 | Confident | 87 Ų | 87 | 91.8 Ų | 91.8 | 47% | 0.465 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 173 | -67.5 | -3.2 | 0 | 0 | 0 | 112.3 | T756 E763 L764 | T756-N760 WeakPolarHBondContact O-CB 3.31Å; T756-N760 PolarHBondContact O-N 2.97Å; T756-N760 PolarHBondContact O-OD1 2.84Å; N760-E763 PolarHBondContact O-N 2.99Å; N760-L764 WeakPolarHBondContact O-CG 3.27Å; N760-L764 PolarHBondContact O-N 3.3Å |
| 761 | N | 70.8 | Confident | 76.4 | Confident | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.9 | -36 | 178 | -162.1 | 89.8 | 0 | 0 | 0 | 112.1 | L757 K758 E759 L764 E765 | L757-N761 VanDerWaalsContact O-CB 3.27Å; L757-N761 WeakPolarHBondContact O-CB 3.41Å; L757-N761 PolarHBondContact O-N 2.78Å; K758-N761 PolarHBondContact O-N 2.83Å; E759-N761 VanDerWaalsContact C-N 3.34Å; E759-N761 PolarHBondContact O-N 3.08Å; N761-L764 PolarHBondContact O-N 2.81Å; N761-E765 PolarHBondContact ND2-OE1 3.29Å; N761-E765 WeakPolarHBondContact O-CB 3.19Å; N761-E765 WeakPolarHBondContact O-CG 3.46Å; N761-E765 PolarHBondContact O-N 2.99Å |
| 762 | A | 76.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 96.2 Ų | 96.2 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70 | -30.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K758 E759 N766 | K758-A762 WeakPolarHBondContact O-CB 3.3Å; K758-A762 PolarHBondContact O-N 2.66Å; E759-A762 PolarHBondContact O-N 3.26Å; A762-N766 PolarHBondContact O-N 3.42Å; A762-N766 VanDerWaalsContact O-N 3.07Å; A762-N766 PolarHBondContact O-ND2 3.45Å |
| 763 | E | 79.6 | Confident | 76.4 | Confident | 121 Ų | 121 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.1 | -42.8 | 169.5 | -175.6 | 171.8 | -164 | 0 | 0 | 111.4 | E759 N760 N766 N767 | E759-E763 PolarHBondContact O-N 3.21Å; N760-E763 PolarHBondContact O-N 2.99Å; E763-N766 PolarHBondContact O-N 3.38Å; E763-N767 WeakPolarHBondContact O-CB 3.34Å; E763-N767 PolarHBondContact O-N 2.85Å; E763-N767 PolarHBondContact O-ND2 2.87Å; E763-N767 VanDerWaalsContact O-ND2 3.16Å |
| 764 | L | 76 | Confident | 76.4 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.7 | -72.5 | 170.7 | 0 | 0 | 0 | 112.4 | N760 N761 N767 I768 | N760-L764 WeakPolarHBondContact O-CG 3.27Å; N760-L764 PolarHBondContact O-N 3.3Å; N761-L764 PolarHBondContact O-N 2.81Å; L764-N767 PolarHBondContact O-N 3.41Å; L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.37Å; L764-I768 PolarHBondContact O-N 3.3Å |
| 765 | E | 72.4 | Confident | 76.7 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 173.6 | -77.1 | 172.1 | -166.1 | 0 | 0 | 112 | N761 I768 G769 | N761-E765 PolarHBondContact ND2-OE1 3.29Å; N761-E765 WeakPolarHBondContact O-CB 3.19Å; N761-E765 WeakPolarHBondContact O-CG 3.46Å; N761-E765 PolarHBondContact O-N 2.99Å; E765-I768 PolarHBondContact O-N 2.99Å; E765-G769 PolarHBondContact O-N 3.33Å |
| 766 | N | 79 | Confident | 76.7 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 172.1 | -84.6 | -63.1 | 0 | 0 | 0 | 112.1 | A762 E763 G769 N770 | A762-N766 PolarHBondContact O-N 3.42Å; A762-N766 VanDerWaalsContact O-N 3.07Å; A762-N766 PolarHBondContact O-ND2 3.45Å; E763-N766 PolarHBondContact O-N 3.38Å; N766-G769 CarbonylContact O-C 3.54Å; N766-G769 PolarHBondContact O-N 2.98Å; N766-N770 PolarHBondContact O-N 2.97Å; N766-N770 PolarHBondContact O-ND2 3.27Å |
| 767 | N | 80.5 | Confident | 76.7 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 178.2 | -77 | -37.9 | 0 | 0 | 0 | 112 | E763 L764 N770 W771 | E763-N767 WeakPolarHBondContact O-CB 3.34Å; E763-N767 PolarHBondContact O-N 2.85Å; E763-N767 PolarHBondContact O-ND2 2.87Å; E763-N767 VanDerWaalsContact O-ND2 3.16Å; L764-N767 PolarHBondContact O-N 3.41Å; N767-N770 WeakPolarHBondContact O-CB 3.35Å; N767-N770 PolarHBondContact O-N 3.14Å; N767-W771 PolarHBondContact O-N 3.35Å |
| 768 | I | 78.5 | Confident | 76.9 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 170.6 | -69.4 | 164.1 | 0 | 0 | 0 | 109.7 | L764 E765 N770 W771 E772 | L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.37Å; L764-I768 PolarHBondContact O-N 3.3Å; E765-I768 PolarHBondContact O-N 2.99Å; I768-N770 PolarHBondContact O-N 3.48Å; I768-N770 VanDerWaalsContact O-N 3.12Å; I768-W771 CarbonylContact O-C 3.6Å; I768-W771 PolarHBondContact O-N 2.95Å; I768-E772 HydrophobicContact CG2-CG 4.25Å; I768-E772 WeakPolarHBondContact O-CG 3.12Å; I768-E772 PolarHBondContact O-N 3.42Å |
| 769 | G | 75.6 | Confident | 77 | Confident | 18 Ų | 18 | 100.8 Ų | 100.8 | 19% | 0.186 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.4 | -17.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E765 N766 R773 | E765-G769 PolarHBondContact O-N 3.33Å; N766-G769 CarbonylContact O-C 3.54Å; N766-G769 PolarHBondContact O-N 2.98Å; G769-R773 PolarHBondContact O-NH2 2.81Å |
| 770 | N | 80 | Confident | 77 | Confident | 61 Ų | 61 | 98.4 Ų | 98.4 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -84.1 | -41.8 | 169.7 | -68.9 | -26.5 | 0 | 0 | 0 | 111.6 | N766 N767 I768 R773 H774 | N766-N770 PolarHBondContact O-N 2.97Å; N766-N770 PolarHBondContact O-ND2 3.27Å; N767-N770 WeakPolarHBondContact O-CB 3.35Å; N767-N770 PolarHBondContact O-N 3.14Å; I768-N770 PolarHBondContact O-N 3.48Å; I768-N770 VanDerWaalsContact O-N 3.12Å; N770-R773 WeakPolarHBondContact O-CB 3.4Å; N770-R773 PolarHBondContact O-N 2.77Å; N770-R773 PolarHBondContact OD1-NH1 3.46Å; N770-H774 PolarHBondContact O-N 3.14Å |
| 771 | W | 79.3 | Confident | 77.1 | Confident | 184 Ų | 184 | 103.4 Ų | 103.4 | 70% | 0.697 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 173.9 | -75.6 | 115.6 | 0 | 0 | 0 | 112.8 | N767 I768 R773 H774 L775 | N767-W771 PolarHBondContact O-N 3.35Å; I768-W771 CarbonylContact O-C 3.6Å; I768-W771 PolarHBondContact O-N 2.95Å; W771-R773 PolarHBondContact O-N 3.18Å; W771-H774 PolarHBondContact O-N 3.42Å; W771-L775 VanDerWaalsContact O-CB 3.26Å; W771-L775 WeakPolarHBondContact O-CB 3.26Å; W771-L775 PolarHBondContact O-N 3Å |
| 772 | E | 72.8 | Confident | 77.4 | Confident | 126 Ų | 126 | 103.5 Ų | 103.5 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -37 | 170.6 | -73 | 178.9 | 157.6 | 0 | 0 | 111.6 | I768 L775 F776 | I768-E772 HydrophobicContact CG2-CG 4.25Å; I768-E772 WeakPolarHBondContact O-CG 3.12Å; I768-E772 PolarHBondContact O-N 3.42Å; E772-L775 PolarHBondContact O-N 3.37Å; E772-F776 WeakPolarHBondContact O-CB 3.28Å; E772-F776 PolarHBondContact O-N 3.11Å |
| 773 | R | 77.4 | Confident | 77.5 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.1 | -44.7 | 178 | -160.4 | 178.4 | -52.5 | 101.7 | 12.8 | 112.1 | G769 N770 W771 L775 F776 E777 | G769-R773 PolarHBondContact O-NH2 2.81Å; N770-R773 WeakPolarHBondContact O-CB 3.4Å; N770-R773 PolarHBondContact O-N 2.77Å; N770-R773 PolarHBondContact OD1-NH1 3.46Å; W771-R773 PolarHBondContact O-N 3.18Å; R773-L775 VanDerWaalsContact C-N 3.28Å; R773-L775 PolarHBondContact O-N 2.79Å; R773-F776 PolarHBondContact O-N 2.68Å; R773-E777 WeakPolarHBondContact O-CB 3.45Å; R773-E777 WeakPolarHBondContact O-CG 3.44Å; R773-E777 PolarHBondContact O-N 2.65Å |
| 774 | H | 74.9 | Confident | 77.6 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 170.7 | -73.3 | 170.2 | 0 | 0 | 0 | 111.9 | N770 W771 E777 L778 | N770-H774 PolarHBondContact O-N 3.14Å; W771-H774 PolarHBondContact O-N 3.42Å; H774-E777 IonicContact CD2-OE2 2.66Å; H774-E777 PolarHBondContact O-N 3.26Å; H774-L778 VanDerWaalsContact O-CB 3.31Å; H774-L778 WeakPolarHBondContact O-CB 3.5Å; H774-L778 PolarHBondContact O-N 2.64Å |
| 775 | L | 76.2 | Confident | 77.9 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 176.5 | -176.1 | 64.3 | 0 | 0 | 0 | 111.6 | W771 E772 R773 N779 | W771-L775 VanDerWaalsContact O-CB 3.26Å; W771-L775 WeakPolarHBondContact O-CB 3.26Å; W771-L775 PolarHBondContact O-N 3Å; E772-L775 PolarHBondContact O-N 3.37Å; R773-L775 VanDerWaalsContact C-N 3.28Å; R773-L775 PolarHBondContact O-N 2.79Å; L775-N779 WeakPolarHBondContact O-CB 3.49Å; L775-N779 VanDerWaalsContact O-CG 3.29Å; L775-N779 PolarHBondContact O-N 2.72Å; L775-N779 PolarHBondContact O-ND2 3.36Å |
| 776 | F | 77 | Confident | 78.3 | Confident | 139 Ų | 139 | 104.9 Ų | 104.9 | 61% | 0.61 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 172.4 | -175.6 | -91 | 0 | 0 | 0 | 111.9 | E772 R773 N779 Q780 | E772-F776 WeakPolarHBondContact O-CB 3.28Å; E772-F776 PolarHBondContact O-N 3.11Å; R773-F776 PolarHBondContact O-N 2.68Å; F776-N779 PolarHBondContact O-N 2.71Å; F776-Q780 PolarHBondContact O-N 2.86Å |
| 777 | E | 80 | Confident | 78.5 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.4 | -72.4 | 164.8 | -169.3 | 0 | 0 | 111.9 | R773 H774 Q780 W781 | R773-E777 WeakPolarHBondContact O-CB 3.45Å; R773-E777 WeakPolarHBondContact O-CG 3.44Å; R773-E777 PolarHBondContact O-N 2.65Å; H774-E777 IonicContact CD2-OE2 2.66Å; H774-E777 PolarHBondContact O-N 3.26Å; E777-Q780 PolarHBondContact O-N 3.5Å; E777-W781 PolarHBondContact O-N 3.49Å |
| 778 | L | 78.2 | Confident | 78.4 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 176 | -160.4 | 79.5 | 0 | 0 | 0 | 112 | H774 W781 V782 | H774-L778 VanDerWaalsContact O-CB 3.31Å; H774-L778 WeakPolarHBondContact O-CB 3.5Å; H774-L778 PolarHBondContact O-N 2.64Å; L778-W781 PolarHBondContact O-N 2.85Å; L778-V782 WeakPolarHBondContact O-CG2 3.2Å; L778-V782 PolarHBondContact O-N 3.38Å |
| 779 | N | 74.1 | Confident | 78.4 | Confident | 84 Ų | 84 | 106.4 Ų | 106.4 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 173.6 | -77.8 | -38.5 | 0 | 0 | 0 | 111.6 | L775 F776 W781 V782 D783 | L775-N779 WeakPolarHBondContact O-CB 3.49Å; L775-N779 VanDerWaalsContact O-CG 3.29Å; L775-N779 PolarHBondContact O-N 2.72Å; L775-N779 PolarHBondContact O-ND2 3.36Å; F776-N779 PolarHBondContact O-N 2.71Å; N779-W781 VanDerWaalsContact C-N 3.32Å; N779-W781 PolarHBondContact O-N 2.74Å; N779-V782 PolarHBondContact O-N 2.7Å; N779-V782 VanDerWaalsContact O-N 3.15Å; N779-D783 PolarHBondContact O-N 3.25Å |
| 780 | Q | 80.4 | Confident | 78.6 | Confident | 83 Ų | 83 | 110.9 Ų | 110.9 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 173.6 | -173 | 67.1 | 65.1 | 0 | 0 | 111.3 | F776 E777 V782 D783 D784 | F776-Q780 PolarHBondContact O-N 2.86Å; E777-Q780 PolarHBondContact O-N 3.5Å; Q780-V782 VanDerWaalsContact C-N 3.33Å; Q780-V782 PolarHBondContact O-N 2.96Å; Q780-D783 PolarHBondContact O-N 2.89Å; Q780-D784 PolarHBondContact NE2-OD1 3.02Å; Q780-D784 WeakPolarHBondContact O-CB 3.44Å; Q780-D784 PolarHBondContact O-N 3.3Å |
| 781 | W | 79.2 | Confident | 78.8 | Confident | 192 Ų | 192 | 113.4 Ų | 113.4 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -38.2 | 174.1 | -78.4 | 37 | 0 | 0 | 0 | 112.4 | E777 L778 N779 E785 | E777-W781 PolarHBondContact O-N 3.49Å; L778-W781 PolarHBondContact O-N 2.85Å; N779-W781 VanDerWaalsContact C-N 3.32Å; N779-W781 PolarHBondContact O-N 2.74Å; W781-E785 VanDerWaalsContact O-CB 3.26Å; W781-E785 WeakPolarHBondContact O-CB 3.17Å; W781-E785 PolarHBondContact O-N 2.67Å |
| 782 | V | 78.4 | Confident | 78.8 | Confident | 87 Ų | 87 | 110 Ų | 110 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -36.7 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | L778 N779 Q780 R786 | L778-V782 WeakPolarHBondContact O-CG2 3.2Å; L778-V782 PolarHBondContact O-N 3.38Å; N779-V782 PolarHBondContact O-N 2.7Å; N779-V782 VanDerWaalsContact O-N 3.15Å; Q780-V782 VanDerWaalsContact C-N 3.33Å; Q780-V782 PolarHBondContact O-N 2.96Å; V782-R786 VanDerWaalsContact O-CB 3.31Å; V782-R786 WeakPolarHBondContact O-CB 3.48Å; V782-R786 PolarHBondContact O-N 2.83Å |
| 783 | D | 78.5 | Confident | 79.1 | Confident | 66 Ų | 66 | 109.1 Ų | 109.1 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 173.6 | -80 | -27.1 | 0 | 0 | 0 | 111.7 | N779 Q780 R786 E787 | N779-D783 PolarHBondContact O-N 3.25Å; Q780-D783 PolarHBondContact O-N 2.89Å; D783-R786 PolarHBondContact O-N 2.85Å; D783-R786 IonicContact OD1-CZ 3.44Å; D783-R786 IonicContact OD1-NH1 3.3Å; D783-R786 PolarHBondContact OD1-NH1 3.29Å; D783-R786 IonicContact OD1-NH2 2.73Å; D783-R786 PolarHBondContact OD1-NH2 3.15Å; D783-E787 PolarHBondContact O-N 3.45Å |
| 784 | D | 82.3 | Confident | 79.3 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 178.3 | -70 | -6.8 | 0 | 0 | 0 | 111.2 | Q780 E787 A788 | Q780-D784 PolarHBondContact NE2-OD1 3.02Å; Q780-D784 WeakPolarHBondContact O-CB 3.44Å; Q780-D784 PolarHBondContact O-N 3.3Å; D784-E787 PolarHBondContact O-N 3.05Å; D784-A788 WeakPolarHBondContact O-CB 3.13Å; D784-A788 PolarHBondContact O-N 3.45Å |
| 785 | E | 82 | Confident | 79.6 | Confident | 141 Ų | 141 | 107 Ų | 107 | 66% | 0.659 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.8 | -32.8 | 178.4 | -167.8 | 72.4 | 167.5 | 0 | 0 | 111.7 | W781 A788 K789 | W781-E785 VanDerWaalsContact O-CB 3.26Å; W781-E785 WeakPolarHBondContact O-CB 3.17Å; W781-E785 PolarHBondContact O-N 2.67Å; E785-A788 PolarHBondContact O-N 3.38Å; E785-K789 WeakPolarHBondContact O-CB 3.18Å; E785-K789 PolarHBondContact O-N 3.4Å |
| 786 | R | 80.4 | Confident | 79.7 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 169.8 | -174.1 | -178 | 65.9 | -109.1 | -6.9 | 111.2 | V782 D783 A788 K789 E790 | V782-R786 VanDerWaalsContact O-CB 3.31Å; V782-R786 WeakPolarHBondContact O-CB 3.48Å; V782-R786 PolarHBondContact O-N 2.83Å; D783-R786 PolarHBondContact O-N 2.85Å; D783-R786 IonicContact OD1-CZ 3.44Å; D783-R786 IonicContact OD1-NH1 3.3Å; D783-R786 PolarHBondContact OD1-NH1 3.29Å; D783-R786 IonicContact OD1-NH2 2.73Å; D783-R786 PolarHBondContact OD1-NH2 3.15Å; R786-A788 VanDerWaalsContact C-N 3.34Å; R786-K789 PolarHBondContact O-N 3.34Å; R786-E790 WeakPolarHBondContact O-CB 3.2Å; R786-E790 PolarHBondContact O-N 3.09Å |
| 787 | E | 82.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.6 | -151.9 | -152.4 | 163 | 0 | 0 | 111.3 | D783 D784 E790 K791 | D783-E787 PolarHBondContact O-N 3.45Å; D784-E787 PolarHBondContact O-N 3.05Å; E787-E790 PolarHBondContact O-N 2.98Å; E787-K791 WeakPolarHBondContact O-CB 3.21Å; E787-K791 WeakPolarHBondContact O-CD 3.35Å; E787-K791 WeakPolarHBondContact O-CG 3.4Å; E787-K791 PolarHBondContact O-N 2.98Å; E787-K791 WeakPolarHBondContact OE1-CE 3.5Å; E787-K791 IonicContact OE1-NZ 3.66Å; E787-K791 PolarHBondContact OE1-NZ 3.04Å; E787-K791 IonicContact OE2-NZ 2.74Å; E787-K791 PolarHBondContact OE2-NZ 3.15Å |
| 788 | A | 79.2 | Confident | 79.7 | Confident | 44 Ų | 44 | 106.4 Ų | 106.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D784 E785 R786 E790 K791 L792 | D784-A788 WeakPolarHBondContact O-CB 3.13Å; D784-A788 PolarHBondContact O-N 3.45Å; E785-A788 PolarHBondContact O-N 3.38Å; R786-A788 VanDerWaalsContact C-N 3.34Å; A788-E790 PolarHBondContact O-N 2.89Å; A788-K791 PolarHBondContact O-N 3.03Å; A788-L792 WeakPolarHBondContact O-CB 3.18Å; A788-L792 PolarHBondContact O-N 3.03Å |
| 789 | K | 79 | Confident | 79.6 | Confident | 160 Ų | 160 | 104.7 Ų | 104.7 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 174.4 | -174.8 | 178.5 | -179.9 | -179.5 | 0 | 112.2 | E785 R786 L792 H793 | E785-K789 WeakPolarHBondContact O-CB 3.18Å; E785-K789 PolarHBondContact O-N 3.4Å; R786-K789 PolarHBondContact O-N 3.34Å; K789-L792 PolarHBondContact O-N 3.49Å; K789-H793 WeakPolarHBondContact O-CB 3.26Å; K789-H793 PolarHBondContact O-N 2.94Å |
| 790 | E | 79.9 | Confident | 79.6 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 176 | -174.3 | 175.5 | 170.1 | 0 | 0 | 112 | R786 E787 A788 L792 H793 N794 | R786-E790 WeakPolarHBondContact O-CB 3.2Å; R786-E790 PolarHBondContact O-N 3.09Å; E787-E790 PolarHBondContact O-N 2.98Å; A788-E790 PolarHBondContact O-N 2.89Å; E790-L792 VanDerWaalsContact C-N 3.33Å; E790-L792 PolarHBondContact O-N 3.43Å; E790-H793 PolarHBondContact O-N 3.02Å; E790-N794 WeakPolarHBondContact CG-ND2 3.38Å; E790-N794 WeakPolarHBondContact O-CB 3.31Å; E790-N794 PolarHBondContact O-N 3.41Å; E790-N794 PolarHBondContact O-ND2 3.43Å |
| 791 | K | 83.3 | Confident | 79.3 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 172 | -74.5 | 160.9 | -176.4 | 163 | 0 | 111.4 | E787 A788 N794 F795 | E787-K791 WeakPolarHBondContact O-CB 3.21Å; E787-K791 WeakPolarHBondContact O-CD 3.35Å; E787-K791 WeakPolarHBondContact O-CG 3.4Å; E787-K791 PolarHBondContact O-N 2.98Å; E787-K791 WeakPolarHBondContact OE1-CE 3.5Å; E787-K791 IonicContact OE1-NZ 3.66Å; E787-K791 PolarHBondContact OE1-NZ 3.04Å; E787-K791 IonicContact OE2-NZ 2.74Å; E787-K791 PolarHBondContact OE2-NZ 3.15Å; A788-K791 PolarHBondContact O-N 3.03Å; K791-N794 PolarHBondContact O-N 2.95Å; K791-F795 WeakPolarHBondContact O-CB 2.95Å; K791-F795 PolarHBondContact O-N 2.97Å |
| 792 | L | 80.1 | Confident | 79.1 | Confident | 113 Ų | 113 | 99 Ų | 99 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 177 | -171.7 | 66.5 | 0 | 0 | 0 | 112.4 | A788 K789 E790 F795 T796 | A788-L792 WeakPolarHBondContact O-CB 3.18Å; A788-L792 PolarHBondContact O-N 3.03Å; K789-L792 PolarHBondContact O-N 3.49Å; E790-L792 VanDerWaalsContact C-N 3.33Å; E790-L792 PolarHBondContact O-N 3.43Å; L792-F795 PolarHBondContact O-N 3.44Å; L792-T796 WeakPolarHBondContact O-CB 3.41Å; L792-T796 PolarHBondContact O-N 3.18Å; L792-T796 PolarHBondContact O-OG1 3.1Å |
| 793 | H | 78.7 | Confident | 78.8 | Confident | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 173.7 | -177 | 71 | 0 | 0 | 0 | 111.7 | K789 E790 F795 T796 M797 | K789-H793 WeakPolarHBondContact O-CB 3.26Å; K789-H793 PolarHBondContact O-N 2.94Å; E790-H793 PolarHBondContact O-N 3.02Å; H793-F795 VanDerWaalsContact C-N 3.33Å; H793-F795 PolarHBondContact O-N 3.46Å; H793-T796 CarbonylContact O-C 3.38Å; H793-T796 WeakPolarHBondContact O-CA 3.49Å; H793-T796 WeakPolarHBondContact O-CB 3.33Å; H793-T796 PolarHBondContact O-N 3.35Å; H793-T796 VanDerWaalsContact O-N 3.11Å; H793-M797 WeakPolarHBondContact O-CG 3.4Å; H793-M797 PolarHBondContact O-N 3.44Å |
| 794 | N | 80.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 40% | 0.401 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 176.3 | -79.4 | -52.9 | 0 | 0 | 0 | 112.8 | E790 K791 R798 | E790-N794 WeakPolarHBondContact CG-ND2 3.38Å; E790-N794 WeakPolarHBondContact O-CB 3.31Å; E790-N794 PolarHBondContact O-N 3.41Å; E790-N794 PolarHBondContact O-ND2 3.43Å; K791-N794 PolarHBondContact O-N 2.95Å; N794-R798 WeakPolarHBondContact O-CG 3.18Å; N794-R798 PolarHBondContact O-N 2.96Å |
| 795 | F | 80.8 | Confident | 77.5 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 171.1 | -179 | -109 | 0 | 0 | 0 | 111.8 | K791 L792 H793 R798 L799 | K791-F795 WeakPolarHBondContact O-CB 2.95Å; K791-F795 PolarHBondContact O-N 2.97Å; L792-F795 PolarHBondContact O-N 3.44Å; H793-F795 VanDerWaalsContact C-N 3.33Å; H793-F795 PolarHBondContact O-N 3.46Å; F795-R798 PolarHBondContact O-N 3.37Å; F795-L799 HydrophobicContact CD1-CD1 4.01Å; F795-L799 HydrophobicContact CE1-CD1 3.53Å; F795-L799 HydrophobicContact CE1-CG 4.35Å; F795-L799 HydrophobicContact CZ-CD1 3.86Å; F795-L799 HydrophobicContact CZ-CG 4.33Å; F795-L799 PolarHBondContact O-N 3.45Å |
| 796 | T | 79.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 99.7 Ų | 99.7 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | L792 H793 R798 L799 V800 | L792-T796 WeakPolarHBondContact O-CB 3.41Å; L792-T796 PolarHBondContact O-N 3.18Å; L792-T796 PolarHBondContact O-OG1 3.1Å; H793-T796 CarbonylContact O-C 3.38Å; H793-T796 WeakPolarHBondContact O-CA 3.49Å; H793-T796 WeakPolarHBondContact O-CB 3.33Å; H793-T796 PolarHBondContact O-N 3.35Å; H793-T796 VanDerWaalsContact O-N 3.11Å; T796-R798 VanDerWaalsContact C-N 3.33Å; T796-R798 PolarHBondContact O-N 3.09Å; T796-L799 PolarHBondContact O-N 3Å; T796-V800 WeakPolarHBondContact O-CG2 3.41Å; T796-V800 PolarHBondContact O-N 3.36Å |
| 797 | M | 77.6 | Confident | 75.6 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 176.2 | -70.7 | -65 | 99.2 | 0 | 0 | 112.8 | H793 V800 S801 | H793-M797 WeakPolarHBondContact O-CG 3.4Å; H793-M797 PolarHBondContact O-N 3.44Å; M797-V800 HydrophobicContact CE-CG2 4.34Å; M797-S801 VanDerWaalsContact O-CB 3.3Å; M797-S801 WeakPolarHBondContact O-CB 3.43Å; M797-S801 PolarHBondContact O-N 3.03Å |
| 798 | R | 79.5 | Confident | 74.2 | Confident | 166 Ų | 166 | 100.4 Ų | 100.4 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -47.3 | 170 | -74.8 | -176.8 | -172.8 | 135.3 | 5.9 | 112.1 | N794 F795 T796 V800 S801 E802 | N794-R798 WeakPolarHBondContact O-CG 3.18Å; N794-R798 PolarHBondContact O-N 2.96Å; F795-R798 PolarHBondContact O-N 3.37Å; T796-R798 VanDerWaalsContact C-N 3.33Å; T796-R798 PolarHBondContact O-N 3.09Å; R798-V800 VanDerWaalsContact C-N 3.31Å; R798-V800 PolarHBondContact O-N 3.38Å; R798-S801 CarbonylContact O-C 3.48Å; R798-S801 PolarHBondContact O-N 3.02Å; R798-S801 VanDerWaalsContact O-N 3.12Å; R798-E802 WeakPolarHBondContact O-CB 3.33Å; R798-E802 WeakPolarHBondContact O-CG 3.41Å; R798-E802 PolarHBondContact O-N 3.05Å |
| 799 | L | 76.1 | Confident | 72.6 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.2 | -72.4 | 174.2 | 0 | 0 | 0 | 112.6 | F795 T796 L803 | F795-L799 HydrophobicContact CD1-CD1 4.01Å; F795-L799 HydrophobicContact CE1-CD1 3.53Å; F795-L799 HydrophobicContact CE1-CG 4.35Å; F795-L799 HydrophobicContact CZ-CD1 3.86Å; F795-L799 HydrophobicContact CZ-CG 4.33Å; F795-L799 PolarHBondContact O-N 3.45Å; T796-L799 PolarHBondContact O-N 3Å; L799-L803 WeakPolarHBondContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.45Å; L799-L803 PolarHBondContact O-N 3.01Å |
| 800 | V | 75.2 | Confident | 71 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 37% | 0.37 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 172.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | T796 M797 R798 E802 L803 D804 | T796-V800 WeakPolarHBondContact O-CG2 3.41Å; T796-V800 PolarHBondContact O-N 3.36Å; M797-V800 HydrophobicContact CE-CG2 4.34Å; R798-V800 VanDerWaalsContact C-N 3.31Å; R798-V800 PolarHBondContact O-N 3.38Å; V800-E802 VanDerWaalsContact C-N 3.32Å; V800-E802 PolarHBondContact O-N 3.26Å; V800-L803 PolarHBondContact O-N 3.04Å; V800-D804 WeakPolarHBondContact O-CB 3.3Å; V800-D804 PolarHBondContact O-N 3.27Å |
| 801 | S | 74.1 | Confident | 68.8 | Low | 68 Ų | 68 | 99.7 Ų | 99.7 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -31.5 | 177.6 | -171 | 0 | 0 | 0 | 0 | 113.4 | M797 R798 T805 | M797-S801 VanDerWaalsContact O-CB 3.3Å; M797-S801 WeakPolarHBondContact O-CB 3.43Å; M797-S801 PolarHBondContact O-N 3.03Å; R798-S801 CarbonylContact O-C 3.48Å; R798-S801 PolarHBondContact O-N 3.02Å; R798-S801 VanDerWaalsContact O-N 3.12Å; S801-T805 WeakPolarHBondContact O-CB 3.45Å; S801-T805 VanDerWaalsContact O-CG2 3.3Å; S801-T805 WeakPolarHBondContact O-CG2 3.35Å; S801-T805 PolarHBondContact O-N 2.97Å; S801-T805 PolarHBondContact O-OG1 2.95Å |
| 802 | E | 74.4 | Confident | 66.2 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 173 | -75.4 | 172.9 | -165.1 | 0 | 0 | 111 | R798 V800 T805 L806 | R798-E802 WeakPolarHBondContact O-CB 3.33Å; R798-E802 WeakPolarHBondContact O-CG 3.41Å; R798-E802 PolarHBondContact O-N 3.05Å; V800-E802 VanDerWaalsContact C-N 3.32Å; V800-E802 PolarHBondContact O-N 3.26Å; E802-T805 WeakPolarHBondContact CA-OG1 3.43Å; E802-T805 PolarHBondContact O-OG1 2.77Å; E802-L806 WeakPolarHBondContact O-CB 3.43Å; E802-L806 VanDerWaalsContact O-CG 3.25Å; E802-L806 WeakPolarHBondContact O-CG 3.07Å; E802-L806 PolarHBondContact O-N 3.18Å |
| 803 | L | 71.3 | Confident | 63.7 | Low | 108 Ų | 108 | 102.7 Ų | 102.7 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 171.9 | -77.4 | 166.8 | 0 | 0 | 0 | 112.8 | L799 V800 L806 R807 | L799-L803 WeakPolarHBondContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.45Å; L799-L803 PolarHBondContact O-N 3.01Å; V800-L803 PolarHBondContact O-N 3.04Å; L803-L806 PolarHBondContact O-N 3.42Å; L803-R807 WeakPolarHBondContact O-CG 3.26Å; L803-R807 PolarHBondContact O-N 3.39Å |
| 804 | D | 66.8 | Low | 61.2 | Low | 74 Ų | 74 | 102.8 Ų | 102.8 | 40% | 0.396 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.9 | -29.4 | -179.3 | -75.6 | -28.4 | 0 | 0 | 0 | 112.5 | V800 R807 A808 | V800-D804 WeakPolarHBondContact O-CB 3.3Å; V800-D804 PolarHBondContact O-N 3.27Å; D804-R807 PolarHBondContact O-N 3.44Å; D804-R807 IonicContact OD1-NH1 3.74Å; D804-R807 PolarHBondContact OD1-NH1 2.94Å; D804-A808 VanDerWaalsContact O-CB 3.25Å; D804-A808 WeakPolarHBondContact O-CB 3.38Å; D804-A808 PolarHBondContact O-N 3.45Å |
| 805 | T | 67.5 | Low | 58.7 | Low | 83 Ų | 83 | 109.1 Ų | 109.1 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.8 | -36.6 | 168.4 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | S801 E802 A808 S809 | S801-T805 WeakPolarHBondContact O-CB 3.45Å; S801-T805 VanDerWaalsContact O-CG2 3.3Å; S801-T805 WeakPolarHBondContact O-CG2 3.35Å; S801-T805 PolarHBondContact O-N 2.97Å; S801-T805 PolarHBondContact O-OG1 2.95Å; E802-T805 WeakPolarHBondContact CA-OG1 3.43Å; E802-T805 PolarHBondContact O-OG1 2.77Å; T805-A808 PolarHBondContact O-N 3.22Å; T805-S809 WeakPolarHBondContact O-CB 3.46Å; T805-S809 PolarHBondContact O-N 3.16Å |
| 806 | L | 62.3 | Low | 56.1 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.8 | -43.9 | 169.1 | -77 | 168 | 0 | 0 | 0 | 111.4 | E802 L803 S809 | E802-L806 WeakPolarHBondContact O-CB 3.43Å; E802-L806 VanDerWaalsContact O-CG 3.25Å; E802-L806 WeakPolarHBondContact O-CG 3.07Å; E802-L806 PolarHBondContact O-N 3.18Å; L803-L806 PolarHBondContact O-N 3.42Å; L806-S809 PolarHBondContact O-N 3.05Å; L806-S809 PolarHBondContact O-OG 3.38Å |
| 807 | R | 60 | Low | 53.6 | Low | 184 Ų | 184 | 113 Ų | 113 | 69% | 0.694 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.4 | -48.8 | 171.6 | -81.3 | 173.9 | 162.3 | 166.9 | -5.3 | 112.9 | L803 D804 S809 G810 | L803-R807 WeakPolarHBondContact O-CG 3.26Å; L803-R807 PolarHBondContact O-N 3.39Å; D804-R807 PolarHBondContact O-N 3.44Å; D804-R807 IonicContact OD1-NH1 3.74Å; D804-R807 PolarHBondContact OD1-NH1 2.94Å; R807-S809 VanDerWaalsContact C-N 3.27Å; R807-S809 PolarHBondContact O-N 3.44Å; R807-G810 PolarHBondContact O-N 3.35Å |
| 808 | A | 51.6 | Low | 51.2 | Low | 67 Ų | 67 | 115.5 Ų | 115.5 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -32.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D804 T805 G810 L811 | D804-A808 VanDerWaalsContact O-CB 3.25Å; D804-A808 WeakPolarHBondContact O-CB 3.38Å; D804-A808 PolarHBondContact O-N 3.45Å; T805-A808 PolarHBondContact O-N 3.22Å; A808-G810 PolarHBondContact O-N 3.07Å; A808-G810 VanDerWaalsContact O-N 3.14Å; A808-L811 PolarHBondContact O-N 3.48Å |
| 809 | S | 47.1 | Very low | 48.6 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 63% | 0.629 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -13.3 | 174.3 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | T805 L806 R807 | T805-S809 WeakPolarHBondContact O-CB 3.46Å; T805-S809 PolarHBondContact O-N 3.16Å; L806-S809 PolarHBondContact O-N 3.05Å; L806-S809 PolarHBondContact O-OG 3.38Å; R807-S809 VanDerWaalsContact C-N 3.27Å; R807-S809 PolarHBondContact O-N 3.44Å |
| 810 | G | 44.7 | Very low | 46.2 | Very low | 59 Ų | 59 | 113.9 Ų | 113.9 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R807 A808 | R807-G810 PolarHBondContact O-N 3.35Å; A808-G810 PolarHBondContact O-N 3.07Å; A808-G810 VanDerWaalsContact O-N 3.14Å |
| 811 | L | 33.5 | Very low | 43.9 | Very low | 152 Ų | 152 | 117 Ų | 117 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -133.8 | 117 | 179.1 | -80.1 | 94.5 | 0 | 0 | 0 | 112.8 | A808 | A808-L811 PolarHBondContact O-N 3.48Š| ||
| 812 | V | 30 | Very low | 42.5 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 74% | 0.739 | 66% | 0.661 | S | S | * | * | trans | -145.1 | 145.6 | -179.5 | 162 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 813 | Q | 26.4 | Very low | 40.2 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | 67.7 | 143.9 | -177.1 | -67.3 | -176.9 | -103 | 0 | 0 | 116.2 | ||||
| 814 | D | 25.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 119 Ų | 119 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | cis | -155.1 | 170.3 | -15.4 | -92.1 | -40.4 | 0 | 0 | 0 | 106.2 | ||||
| 815 | Y | 29 | Very low | 36 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 82% | 0.82 | 71% | 0.71 | S | S | * | * | cis | -131.8 | 164.7 | 20.7 | -81 | -112.3 | 0 | 0 | 0 | 109.5 | ||||
| 816 | N | 26.2 | Very low | 34 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | cis | 98.1 | 113.1 | 27 | -146.5 | -5.8 | 0 | 0 | 0 | 114.8 | ||||
| 817 | Q | 26.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 73.2 | 152.5 | 160.7 | -76.6 | 166.3 | 62.5 | 0 | 0 | 120.1 | ||||
| 818 | N | 27.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | cis | -158.2 | 155.9 | 7.7 | -118.9 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 819 | G | 25.9 | Very low | 29.3 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | 75 | 126 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 820 | V | 25.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | cis | 80.3 | 102.9 | 7.3 | -166.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 821 | C | 26.4 | Very low | 27.3 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | -173.8 | 158.1 | 119.4 | -113 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 822 | P | 45.7 | Very low | 27 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -126.3 | 175.8 | -171.8 | 42.7 | -29.5 | 0 | 0 | 0 | 116.2 | ||||
| 823 | N | 25.5 | Very low | 26.8 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | 157.4 | 158.6 | 129.4 | -82.9 | -39.1 | 0 | 0 | 0 | 116.3 | |||||
| 824 | G | 27.2 | Very low | 26.7 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 90.9 | 109.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 825 | Y | 22.3 | Very low | 26.6 | Very low | 237 Ų | 237 | 140.8 Ų | 140.8 | 93% | 0.929 | 77% | 0.765 | S | S | * | * | cis | 87.2 | 136.7 | 13.8 | -117 | -81.4 | 0 | 0 | 0 | 117.8 | ||||
| 826 | Q | 25.7 | Very low | 26.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 64.7 | 126.7 | -171.1 | -84 | 174 | -5.8 | 0 | 0 | 115.8 | ||||
| 827 | S | 26.9 | Very low | 26.5 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | 85.9 | 99.9 | 17.1 | -160.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 828 | S | 27.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -160 | 161.9 | 153.1 | -163.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 829 | W | 21.4 | Very low | 26.6 | Very low | 202 Ų | 202 | 140 Ų | 140 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -93.1 | 152.1 | -154.1 | -63.9 | 71.3 | 0 | 0 | 0 | 117 | ||||
| 830 | R | 23.6 | Very low | 26.5 | Very low | 213 Ų | 213 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 57.4 | 114.6 | 138.5 | -73.6 | -179.6 | 178.6 | -168.6 | 1.4 | 122.4 | ||||
| 831 | A | 25.2 | Very low | 26.6 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | 55.6 | 120.3 | 115 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 832 | N | 27.6 | Very low | 27.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -178 | 164.5 | 144.3 | -92.8 | -32.5 | 0 | 0 | 0 | 109.1 | ||||
| 833 | N | 25.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | cis | -169.4 | 162.2 | -38.6 | -162.8 | 5.7 | 0 | 0 | 0 | 109.8 | ||||
| 834 | V | 24.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 62% | 0.624 | 79% | 0.793 | S | S | * | * | trans | 53 | 134.5 | 158.4 | -79.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 835 | N | 23.9 | Very low | 26.7 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | 68.1 | 120.7 | 134.1 | -61.6 | -5.2 | 0 | 0 | 0 | 124 | ||||
| 836 | S | 28.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | 170.7 | 114.8 | 107.2 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 837 | L | 23.1 | Very low | 27.3 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 69 | 133.2 | 72 | -87.4 | 172.2 | 0 | 0 | 0 | 116.6 | |||||
| 838 | A | 22.8 | Very low | 27.6 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | 69.9 | 122.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 839 | Y | 33.6 | Very low | 28 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | -156 | 156.7 | 105.1 | -119.9 | -84.3 | 0 | 0 | 0 | 111.2 | |||||
| 840 | D | 23.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -117.2 | 165.9 | -162.3 | -106.7 | -54 | 0 | 0 | 0 | 115.3 | ||||
| 841 | S | 28.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 86.3 | 154.7 | 150.6 | -74.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 842 | P | 46.4 | Very low | 30.4 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -115.6 | 175.9 | -160.2 | 43.2 | -32.7 | 0 | 0 | 0 | 114.7 | ||||
| 843 | A | 29.6 | Very low | 31.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 73% | 0.732 | S | S | * | * | trans | -133.7 | 121.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 844 | Q | 24.3 | Very low | 31.8 | Very low | 191 Ų | 191 | 126.5 Ų | 126.5 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | trans | -103.9 | 137.1 | 168.9 | -61.6 | 172.4 | -57.1 | 0 | 0 | 109 | ||||
| 845 | S | 25.2 | Very low | 32.8 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -164.1 | 107.8 | 152.1 | 58.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 846 | V | 27.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | 41.5 | 100.5 | 135.3 | -168.2 | 0 | 0 | 0 | 0 | 118.4 | V848 | V846-V848 HydrophobicContact CG1-CG2 4.12Š| ||
| 847 | I | 34.6 | Very low | 34.6 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 90% | 0.897 | 70% | 0.701 | S | S | * | * | trans | -128.9 | 127.4 | 134.5 | -59.7 | -178.6 | 0 | 0 | 0 | 105.9 | ||||
| 848 | V | 31.6 | Very low | 35.6 | Very low | 99 Ų | 99 | 126 Ų | 126 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | trans | -144.4 | 150.9 | -164.1 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | V846 | V846-V848 HydrophobicContact CG1-CG2 4.12Š| ||
| 849 | D | 36.1 | Very low | 36.8 | Very low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 57.4 | 82.7 | 167.3 | -65.8 | -16 | 0 | 0 | 0 | 119.6 | ||
| 850 | S | 35 | Very low | 37.7 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -153.8 | -39.1 | 136.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | L852 | S850-L852 VanDerWaalsContact C-N 3.32Å; S850-L852 PolarHBondContact O-N 2.79Å |
| 851 | T | 46 | Very low | 39.1 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.4 | -11.9 | -175.9 | 54 | 0 | 0 | 0 | 0 | 115 | ||
| 852 | L | 40.4 | Very low | 40.5 | Very low | 98 Ų | 98 | 114.6 Ų | 114.6 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.8 | -33.3 | -177.4 | -100.7 | 159.9 | 0 | 0 | 0 | 113.6 | S850 R855 Q856 | S850-L852 VanDerWaalsContact C-N 3.32Å; S850-L852 PolarHBondContact O-N 2.79Å; L852-R855 PolarHBondContact O-N 3.16Å; L852-Q856 VanDerWaalsContact O-CB 3.27Å; L852-Q856 WeakPolarHBondContact O-CB 3.41Å; L852-Q856 PolarHBondContact O-N 3.26Å |
| 853 | D | 42.2 | Very low | 40.9 | Very low | 93 Ų | 93 | 112.1 Ų | 112.1 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.7 | -47.7 | -175.8 | 175 | 25.3 | 0 | 0 | 0 | 111.7 | R855 Q856 R857 | D853-R855 PolarHBondContact O-N 3.12Å; D853-Q856 CarbonylContact O-C 3.59Å; D853-Q856 PolarHBondContact O-N 3.2Å; D853-R857 VanDerWaalsContact CG-NE 3.32Å; D853-R857 VanDerWaalsContact CG-NH2 3.32Å; D853-R857 WeakPolarHBondContact O-CB 3.35Å; D853-R857 WeakPolarHBondContact O-CG 3.3Å; D853-R857 PolarHBondContact O-N 3.19Å; D853-R857 IonicContact OD1-CZ 3.77Å; D853-R857 IonicContact OD1-NE 2.65Å; D853-R857 PolarHBondContact OD1-NE 3.23Å; D853-R857 IonicContact OD1-NH2 3.63Å; D853-R857 IonicContact OD2-CZ 2.74Å; D853-R857 IonicContact OD2-NE 2.8Å; D853-R857 PolarHBondContact OD2-NE 3.49Å; D853-R857 IonicContact OD2-NH2 3.76Å; D853-R857 PolarHBondContact OD2-NH2 2.98Å |
| 854 | W | 41.7 | Very low | 42.3 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.6 | -37.4 | 175.9 | 90.8 | -101.9 | 0 | 0 | 0 | 112.2 | Q856 R857 K858 | W854-Q856 VanDerWaalsContact C-N 3.32Å; W854-Q856 PolarHBondContact O-N 3.04Å; W854-R857 CarbonylContact O-C 3.49Å; W854-R857 PolarHBondContact O-N 3.42Å; W854-R857 VanDerWaalsContact O-N 3.17Å; W854-K858 HydrophobicContact CE3-CB 4.08Å; W854-K858 HydrophobicContact CZ3-CB 3.99Å; W854-K858 HydrophobicContact CZ3-CD 3.88Å; W854-K858 PolarHBondContact O-N 3.35Å |
| 855 | R | 43.8 | Very low | 43.7 | Very low | 158 Ų | 158 | 109.7 Ų | 109.7 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.7 | -35.7 | 175.5 | -75.1 | -172.6 | 178.8 | -125 | 0.1 | 111.9 | L852 D853 S859 | L852-R855 PolarHBondContact O-N 3.16Å; D853-R855 PolarHBondContact O-N 3.12Å; R855-S859 WeakPolarHBondContact O-CA 3.39Å; R855-S859 WeakPolarHBondContact O-CB 3.32Å; R855-S859 PolarHBondContact O-N 2.85Å |
| 856 | Q | 45.9 | Very low | 45.4 | Very low | 126 Ų | 126 | 108.1 Ų | 108.1 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.9 | -27.4 | 173.8 | -164.4 | 166.6 | 7 | 0 | 0 | 111.4 | L852 D853 W854 T860 | L852-Q856 VanDerWaalsContact O-CB 3.27Å; L852-Q856 WeakPolarHBondContact O-CB 3.41Å; L852-Q856 PolarHBondContact O-N 3.26Å; D853-Q856 CarbonylContact O-C 3.59Å; D853-Q856 PolarHBondContact O-N 3.2Å; W854-Q856 VanDerWaalsContact C-N 3.32Å; W854-Q856 PolarHBondContact O-N 3.04Å; Q856-T860 HydrophobicContact CG-CG2 4.44Å; Q856-T860 VanDerWaalsContact O-CB 3.23Å; Q856-T860 WeakPolarHBondContact O-CB 3.31Å; Q856-T860 VanDerWaalsContact O-CG2 3.24Å; Q856-T860 WeakPolarHBondContact O-CG2 3.38Å; Q856-T860 PolarHBondContact O-N 3.25Å; Q856-T860 PolarHBondContact O-OG1 3.02Å |
| 857 | R | 45.1 | Very low | 46.8 | Very low | 141 Ų | 141 | 109 Ų | 109 | 53% | 0.532 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.9 | -41.8 | 168.9 | -76.1 | -174.3 | -84.4 | 125.7 | -12.3 | 113.1 | D853 W854 T860 K861 | D853-R857 VanDerWaalsContact CG-NE 3.32Å; D853-R857 VanDerWaalsContact CG-NH2 3.32Å; D853-R857 WeakPolarHBondContact O-CB 3.35Å; D853-R857 WeakPolarHBondContact O-CG 3.3Å; D853-R857 PolarHBondContact O-N 3.19Å; D853-R857 IonicContact OD1-CZ 3.77Å; D853-R857 IonicContact OD1-NE 2.65Å; D853-R857 PolarHBondContact OD1-NE 3.23Å; D853-R857 IonicContact OD1-NH2 3.63Å; D853-R857 IonicContact OD2-CZ 2.74Å; D853-R857 IonicContact OD2-NE 2.8Å; D853-R857 PolarHBondContact OD2-NE 3.49Å; D853-R857 IonicContact OD2-NH2 3.76Å; D853-R857 PolarHBondContact OD2-NH2 2.98Å; W854-R857 CarbonylContact O-C 3.49Å; W854-R857 PolarHBondContact O-N 3.42Å; W854-R857 VanDerWaalsContact O-N 3.17Å; R857-T860 PolarHBondContact O-N 2.96Å; R857-K861 WeakPolarHBondContact O-CA 2.96Å; R857-K861 WeakPolarHBondContact O-CB 3.46Å; R857-K861 PolarHBondContact O-N 3.3Å |
| 858 | K | 43.6 | Very low | 47.8 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 37% | 0.37 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 170 | -171.1 | 173.2 | -179 | 179 | 0 | 110.2 | W854 T860 K861 L862 | W854-K858 HydrophobicContact CE3-CB 4.08Å; W854-K858 HydrophobicContact CZ3-CB 3.99Å; W854-K858 HydrophobicContact CZ3-CD 3.88Å; W854-K858 PolarHBondContact O-N 3.35Å; K858-T860 PolarHBondContact O-N 3.41Å; K858-K861 PolarHBondContact O-N 2.83Å; K858-L862 WeakPolarHBondContact O-CA 3.47Å; K858-L862 WeakPolarHBondContact O-CB 3.17Å; K858-L862 PolarHBondContact O-N 2.87Å |
| 859 | S | 47.9 | Very low | 49.2 | Very low | 63 Ų | 63 | 105.6 Ų | 105.6 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | R855 N863 | R855-S859 WeakPolarHBondContact O-CA 3.39Å; R855-S859 WeakPolarHBondContact O-CB 3.32Å; R855-S859 PolarHBondContact O-N 2.85Å; S859-N863 WeakPolarHBondContact O-CB 3.33Å; S859-N863 PolarHBondContact O-N 3.19Å; S859-N863 PolarHBondContact O-ND2 3.16Å |
| 860 | T | 52.1 | Low | 50.6 | Low | 68 Ų | 68 | 106 Ų | 106 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85.1 | -24 | 175.2 | 57.1 | 0 | 0 | 0 | 0 | 114 | Q856 R857 K858 K864 | Q856-T860 HydrophobicContact CG-CG2 4.44Å; Q856-T860 VanDerWaalsContact O-CB 3.23Å; Q856-T860 WeakPolarHBondContact O-CB 3.31Å; Q856-T860 VanDerWaalsContact O-CG2 3.24Å; Q856-T860 WeakPolarHBondContact O-CG2 3.38Å; Q856-T860 PolarHBondContact O-N 3.25Å; Q856-T860 PolarHBondContact O-OG1 3.02Å; R857-T860 PolarHBondContact O-N 2.96Å; K858-T860 PolarHBondContact O-N 3.41Å; T860-K864 WeakPolarHBondContact O-CB 2.93Å; T860-K864 WeakPolarHBondContact O-CG 3.49Å; T860-K864 PolarHBondContact O-N 3.08Å |
| 861 | K | 54.2 | Low | 52.1 | Low | 139 Ų | 139 | 106.8 Ų | 106.8 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.2 | -45.7 | 167.3 | -172 | -172.9 | 178.6 | -163.8 | 0 | 109.1 | R857 K858 K864 M865 | R857-K861 WeakPolarHBondContact O-CA 2.96Å; R857-K861 WeakPolarHBondContact O-CB 3.46Å; R857-K861 PolarHBondContact O-N 3.3Å; K858-K861 PolarHBondContact O-N 2.83Å; K861-K864 CarbonylContact O-C 3.5Å; K861-K864 PolarHBondContact O-N 3.1Å; K861-M865 WeakPolarHBondContact O-CA 3.42Å; K861-M865 WeakPolarHBondContact O-CB 3.49Å; K861-M865 PolarHBondContact O-N 2.73Å |
| 862 | L | 56.9 | Low | 53.3 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -55.3 | 172.3 | -172.3 | 66.4 | 0 | 0 | 0 | 110.2 | K858 K864 M865 E866 | K858-L862 WeakPolarHBondContact O-CA 3.47Å; K858-L862 WeakPolarHBondContact O-CB 3.17Å; K858-L862 PolarHBondContact O-N 2.87Å; L862-K864 PolarHBondContact O-N 2.81Å; L862-M865 HydrophobicContact CD1-CE 4.29Å; L862-M865 CarbonylContact O-C 3.54Å; L862-M865 WeakPolarHBondContact O-CA 3.47Å; L862-M865 PolarHBondContact O-N 2.93Å; L862-E866 HydrophobicContact CD1-CG 4.08Å; L862-E866 HydrophobicContact CG-CG 3.96Å; L862-E866 WeakPolarHBondContact O-CB 3.45Å; L862-E866 VanDerWaalsContact O-CG 3.3Å; L862-E866 WeakPolarHBondContact O-CG 3.13Å; L862-E866 PolarHBondContact O-N 3.1Å |
| 863 | N | 56.4 | Low | 54.6 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 34% | 0.342 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -24 | 173 | -92.7 | -133.2 | 0 | 0 | 0 | 113.8 | S859 E866 R867 | S859-N863 WeakPolarHBondContact O-CB 3.33Å; S859-N863 PolarHBondContact O-N 3.19Å; S859-N863 PolarHBondContact O-ND2 3.16Å; N863-E866 WeakPolarHBondContact CA-OE2 3.35Å; N863-E866 PolarHBondContact N-OE2 2.78Å; N863-E866 PolarHBondContact ND2-OE2 2.8Å; N863-R867 WeakPolarHBondContact O-CB 3.36Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 2.92Å; N863-R867 PolarHBondContact O-NH1 2.84Å; N863-R867 PolarHBondContact OD1-NH2 2.91Å |
| 864 | K | 58.4 | Low | 55.9 | Low | 143 Ų | 143 | 101.7 Ų | 101.7 | 62% | 0.622 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -79.7 | -28.1 | 168.6 | -83.2 | 176 | 175.9 | -176.8 | 0 | 112.6 | T860 K861 L862 W868 | T860-K864 WeakPolarHBondContact O-CB 2.93Å; T860-K864 WeakPolarHBondContact O-CG 3.49Å; T860-K864 PolarHBondContact O-N 3.08Å; K861-K864 CarbonylContact O-C 3.5Å; K861-K864 PolarHBondContact O-N 3.1Å; L862-K864 PolarHBondContact O-N 2.81Å; K864-W868 WeakPolarHBondContact O-CA 3.46Å; K864-W868 WeakPolarHBondContact O-CB 3.32Å; K864-W868 PolarHBondContact O-N 3.42Å |
| 865 | M | 54.4 | Low | 57.1 | Low | 103 Ų | 103 | 99.1 Ų | 99.1 | 51% | 0.507 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -91.6 | -19.2 | -179.7 | -167.4 | 173 | 86.2 | 0 | 0 | 111.9 | K861 L862 S869 | K861-M865 WeakPolarHBondContact O-CA 3.42Å; K861-M865 WeakPolarHBondContact O-CB 3.49Å; K861-M865 PolarHBondContact O-N 2.73Å; L862-M865 HydrophobicContact CD1-CE 4.29Å; L862-M865 CarbonylContact O-C 3.54Å; L862-M865 WeakPolarHBondContact O-CA 3.47Å; L862-M865 PolarHBondContact O-N 2.93Å; M865-S869 VanDerWaalsContact O-CA 3.3Å; M865-S869 WeakPolarHBondContact O-CA 3.46Å; M865-S869 WeakPolarHBondContact O-CB 3.47Å; M865-S869 PolarHBondContact O-N 2.71Å |
| 866 | E | 59.3 | Low | 58.5 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -82.7 | -42.7 | 163.9 | -67.9 | 167.9 | 135 | 0 | 0 | 108.7 | L862 N863 W868 H870 | L862-E866 HydrophobicContact CD1-CG 4.08Å; L862-E866 HydrophobicContact CG-CG 3.96Å; L862-E866 WeakPolarHBondContact O-CB 3.45Å; L862-E866 VanDerWaalsContact O-CG 3.3Å; L862-E866 WeakPolarHBondContact O-CG 3.13Å; L862-E866 PolarHBondContact O-N 3.1Å; N863-E866 WeakPolarHBondContact CA-OE2 3.35Å; N863-E866 PolarHBondContact N-OE2 2.78Å; N863-E866 PolarHBondContact ND2-OE2 2.8Å; E866-W868 VanDerWaalsContact C-N 3.33Å; E866-H870 WeakPolarHBondContact O-CA 3.43Å; E866-H870 WeakPolarHBondContact O-CB 3.24Å; E866-H870 PolarHBondContact O-CD2 3.49Å; E866-H870 PolarHBondContact O-N 3.29Å |
| 867 | R | 56.8 | Low | 59.5 | Low | 144 Ų | 144 | 95.4 Ų | 95.4 | 54% | 0.543 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 168.3 | -77.5 | -172.9 | -133.2 | 89 | 3.7 | 111.8 | N863 H870 E871 | N863-R867 WeakPolarHBondContact O-CB 3.36Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 2.92Å; N863-R867 PolarHBondContact O-NH1 2.84Å; N863-R867 PolarHBondContact OD1-NH2 2.91Å; R867-H870 CarbonylContact O-C 3.5Å; R867-E871 WeakPolarHBondContact O-CA 3.05Å; R867-E871 WeakPolarHBondContact O-CB 3.5Å; R867-E871 PolarHBondContact O-N 2.95Å |
| 868 | W | 55.1 | Low | 60.7 | Low | 134 Ų | 134 | 91.1 Ų | 91.1 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -79.5 | -36.2 | 176.6 | -169.7 | 78.3 | 0 | 0 | 0 | 111.2 | E289 K864 E866 E871 V872 | E289-W868 VanDerWaalsContact OE1-CH2 3.29Å; E289-W868 WeakPolarHBondContact OE1-CH2 3.39Å; E289-W868 VanDerWaalsContact OE1-CZ3 3.27Å; E289-W868 WeakPolarHBondContact OE1-CZ3 3.42Å; K864-W868 WeakPolarHBondContact O-CA 3.46Å; K864-W868 WeakPolarHBondContact O-CB 3.32Å; K864-W868 PolarHBondContact O-N 3.42Å; E866-W868 VanDerWaalsContact C-N 3.33Å; W868-E871 CarbonylContact O-C 3.58Å; W868-E871 PolarHBondContact O-N 3.11Å; W868-V872 HydrophobicContact CD2-CG2 3.65Å; W868-V872 VanDerWaalsContact CE2-CG2 3.46Å; W868-V872 HydrophobicContact CE3-CG2 4.02Å; W868-V872 HydrophobicContact CG-CG2 4.11Å; W868-V872 HydrophobicContact CH2-CG2 4.06Å; W868-V872 HydrophobicContact CZ2-CG2 3.7Å; W868-V872 HydrophobicContact CZ3-CG2 4.21Å; W868-V872 WeakPolarHBondContact O-CA 3.11Å; W868-V872 WeakPolarHBondContact O-CB 3.11Å; W868-V872 WeakPolarHBondContact O-CG2 3.09Å; W868-V872 PolarHBondContact O-N 2.93Å |
| 869 | S | 62.5 | Low | 62.2 | Low | 67 Ų | 67 | 91.8 Ų | 91.8 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -29.5 | 169.2 | 179 | 0 | 0 | 0 | 0 | 111.8 | M865 A873 | M865-S869 VanDerWaalsContact O-CA 3.3Å; M865-S869 WeakPolarHBondContact O-CA 3.46Å; M865-S869 WeakPolarHBondContact O-CB 3.47Å; M865-S869 PolarHBondContact O-N 2.71Å; S869-A873 WeakPolarHBondContact O-CA 3.47Å; S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 3.03Å |
| 870 | H | 65.3 | Low | 63.2 | Low | 136 Ų | 136 | 91.2 Ų | 91.2 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -79.3 | -26.4 | 167.7 | -69.3 | -38.4 | 0 | 0 | 0 | 112.5 | E866 R867 L874 | E866-H870 WeakPolarHBondContact O-CA 3.43Å; E866-H870 WeakPolarHBondContact O-CB 3.24Å; E866-H870 PolarHBondContact O-CD2 3.49Å; E866-H870 PolarHBondContact O-N 3.29Å; R867-H870 CarbonylContact O-C 3.5Å; H870-L874 WeakPolarHBondContact O-CA 3.45Å; H870-L874 WeakPolarHBondContact O-CB 3.41Å; H870-L874 PolarHBondContact O-N 3.06Å |
| 871 | E | 66.6 | Low | 63.8 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -84.6 | -18.5 | 174.4 | 179.8 | 173.9 | -144 | 0 | 0 | 111.6 | R867 W868 N875 | R867-E871 WeakPolarHBondContact O-CA 3.05Å; R867-E871 WeakPolarHBondContact O-CB 3.5Å; R867-E871 PolarHBondContact O-N 2.95Å; W868-E871 CarbonylContact O-C 3.58Å; W868-E871 PolarHBondContact O-N 3.11Å; E871-N875 WeakPolarHBondContact O-CA 3.38Å; E871-N875 WeakPolarHBondContact O-CB 3.26Å; E871-N875 PolarHBondContact O-N 3.09Å; E871-N875 PolarHBondContact O-ND2 3.43Å |
| 872 | V | 71.1 | Confident | 64.8 | Low | 16 Ų | 16 | 93.9 Ų | 93.9 | 10% | 0.097 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -95.4 | -37.1 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | E289 W868 L874 N875 N876 | E289-V872 VanDerWaalsContact OE2-CG1 3.25Å; E289-V872 WeakPolarHBondContact OE2-CG1 3.26Å; W868-V872 HydrophobicContact CD2-CG2 3.65Å; W868-V872 VanDerWaalsContact CE2-CG2 3.46Å; W868-V872 HydrophobicContact CE3-CG2 4.02Å; W868-V872 HydrophobicContact CG-CG2 4.11Å; W868-V872 HydrophobicContact CH2-CG2 4.06Å; W868-V872 HydrophobicContact CZ2-CG2 3.7Å; W868-V872 HydrophobicContact CZ3-CG2 4.21Å; W868-V872 WeakPolarHBondContact O-CA 3.11Å; W868-V872 WeakPolarHBondContact O-CB 3.11Å; W868-V872 WeakPolarHBondContact O-CG2 3.09Å; W868-V872 PolarHBondContact O-N 2.93Å; V872-L874 VanDerWaalsContact C-N 3.34Å; V872-N875 CarbonylContact O-C 3.12Å; V872-N875 PolarHBondContact O-N 3.37Å; V872-N876 WeakPolarHBondContact CG1-ND2 3.39Å; V872-N876 WeakPolarHBondContact O-CA 3.49Å; V872-N876 WeakPolarHBondContact O-CB 3.33Å; V872-N876 PolarHBondContact O-N 2.84Å; V872-N876 PolarHBondContact O-ND2 3.25Å; V872-N876 PolarHBondContact O-OD1 3.07Å |
| 873 | A | 66.6 | Low | 65.5 | Low | 48 Ų | 48 | 96.5 Ų | 96.5 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | S869 N876 E877 | S869-A873 WeakPolarHBondContact O-CA 3.47Å; S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 3.03Å; A873-N876 PolarHBondContact O-N 3.32Å; A873-E877 WeakPolarHBondContact O-CA 3.22Å; A873-E877 WeakPolarHBondContact O-CB 3.43Å; A873-E877 PolarHBondContact O-N 3.21Å |
| 874 | L | 70 | Confident | 65.9 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.8 | -32.7 | 168.5 | -172.9 | 66.7 | 0 | 0 | 0 | 111.6 | H870 V872 V878 | H870-L874 WeakPolarHBondContact O-CA 3.45Å; H870-L874 WeakPolarHBondContact O-CB 3.41Å; H870-L874 PolarHBondContact O-N 3.06Å; V872-L874 VanDerWaalsContact C-N 3.34Å; L874-V878 HydrophobicContact CD1-CG2 3.91Å; L874-V878 HydrophobicContact CG-CG2 4.07Å; L874-V878 VanDerWaalsContact O-CA 3.3Å; L874-V878 WeakPolarHBondContact O-CA 3.48Å; L874-V878 WeakPolarHBondContact O-CB 3.45Å; L874-V878 WeakPolarHBondContact O-CG2 3.31Å; L874-V878 PolarHBondContact O-N 3.13Å |
| 875 | N | 67.8 | Low | 66.6 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -75.1 | -24.5 | 171.2 | -101 | -58.5 | 0 | 0 | 0 | 112.6 | E871 V872 K879 | E871-N875 WeakPolarHBondContact O-CA 3.38Å; E871-N875 WeakPolarHBondContact O-CB 3.26Å; E871-N875 PolarHBondContact O-N 3.09Å; E871-N875 PolarHBondContact O-ND2 3.43Å; V872-N875 CarbonylContact O-C 3.12Å; V872-N875 PolarHBondContact O-N 3.37Å; N875-K879 WeakPolarHBondContact O-CA 3.44Å; N875-K879 WeakPolarHBondContact O-CB 3.4Å; N875-K879 VanDerWaalsContact O-CD 3.25Å; N875-K879 WeakPolarHBondContact O-CD 3.33Å; N875-K879 WeakPolarHBondContact O-CG 3.48Å; N875-K879 PolarHBondContact O-N 3.11Å |
| 876 | N | 72.4 | Confident | 67.8 | Low | 62 Ų | 62 | 92.9 Ų | 92.9 | 33% | 0.332 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -93.9 | -24.4 | -178.9 | -66.7 | -11.7 | 0 | 0 | 0 | 109.8 | V872 A873 A880 | V872-N876 WeakPolarHBondContact CG1-ND2 3.39Å; V872-N876 WeakPolarHBondContact O-CA 3.49Å; V872-N876 WeakPolarHBondContact O-CB 3.33Å; V872-N876 PolarHBondContact O-N 2.84Å; V872-N876 PolarHBondContact O-ND2 3.25Å; V872-N876 PolarHBondContact O-OD1 3.07Å; A873-N876 PolarHBondContact O-N 3.32Å; N876-A880 WeakPolarHBondContact O-CA 3.45Å; N876-A880 WeakPolarHBondContact O-CB 3.46Å; N876-A880 PolarHBondContact O-N 2.75Å |
| 877 | E | 66.6 | Low | 68.6 | Low | 145 Ų | 145 | 94 Ų | 94 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -85.8 | -27 | 164.6 | -166.5 | 166.5 | -178.4 | 0 | 0 | 111.5 | A873 R881 | A873-E877 WeakPolarHBondContact O-CA 3.22Å; A873-E877 WeakPolarHBondContact O-CB 3.43Å; A873-E877 PolarHBondContact O-N 3.21Å; E877-R881 WeakPolarHBondContact O-CA 3.31Å; E877-R881 WeakPolarHBondContact O-CB 3.29Å; E877-R881 PolarHBondContact O-N 3.39Å |
| 878 | V | 71.5 | Confident | 69.5 | Low | 51 Ų | 51 | 91.2 Ų | 91.2 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.2 | -40.1 | 163.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L874 R881 E882 | L874-V878 HydrophobicContact CD1-CG2 3.91Å; L874-V878 HydrophobicContact CG-CG2 4.07Å; L874-V878 VanDerWaalsContact O-CA 3.3Å; L874-V878 WeakPolarHBondContact O-CA 3.48Å; L874-V878 WeakPolarHBondContact O-CB 3.45Å; L874-V878 WeakPolarHBondContact O-CG2 3.31Å; L874-V878 PolarHBondContact O-N 3.13Å; V878-R881 CarbonylContact O-C 3.53Å; V878-R881 PolarHBondContact O-N 2.72Å; V878-E882 HydrophobicContact CG1-CG 4.09Å; V878-E882 WeakPolarHBondContact O-CA 3.48Å; V878-E882 WeakPolarHBondContact O-CB 3.49Å; V878-E882 WeakPolarHBondContact O-CG 3.31Å; V878-E882 PolarHBondContact O-N 2.66Å |
| 879 | K | 74.5 | Confident | 70.4 | Confident | 99 Ų | 99 | 90.1 Ų | 90.1 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.3 | -35.4 | 171.1 | -75.2 | 164.4 | -162.1 | 163.3 | 0 | 112.1 | N875 R881 E882 Q883 | N875-K879 WeakPolarHBondContact O-CA 3.44Å; N875-K879 WeakPolarHBondContact O-CB 3.4Å; N875-K879 VanDerWaalsContact O-CD 3.25Å; N875-K879 WeakPolarHBondContact O-CD 3.33Å; N875-K879 WeakPolarHBondContact O-CG 3.48Å; N875-K879 PolarHBondContact O-N 3.11Å; K879-R881 VanDerWaalsContact C-N 3.3Å; K879-E882 PolarHBondContact O-N 2.71Å; K879-Q883 WeakPolarHBondContact O-CA 3.46Å; K879-Q883 WeakPolarHBondContact O-CB 3.42Å; K879-Q883 WeakPolarHBondContact O-CG 3.48Å; K879-Q883 PolarHBondContact O-N 2.67Å |
| 880 | A | 68.3 | Low | 71.1 | Confident | 51 Ų | 51 | 90.8 Ų | 90.8 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74 | -26 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N876 A884 | N876-A880 WeakPolarHBondContact O-CA 3.45Å; N876-A880 WeakPolarHBondContact O-CB 3.46Å; N876-A880 PolarHBondContact O-N 2.75Å; A880-A884 WeakPolarHBondContact O-CA 3.39Å; A880-A884 WeakPolarHBondContact O-CB 3.21Å; A880-A884 PolarHBondContact O-N 2.77Å |
| 881 | R | 65.2 | Low | 71.4 | Confident | 156 Ų | 156 | 88 Ų | 88 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -76.2 | -35.7 | 167.9 | -178.9 | 179.9 | -171.9 | 93.9 | 24.5 | 112.2 | E877 V878 K879 A884 E885 | E877-R881 WeakPolarHBondContact O-CA 3.31Å; E877-R881 WeakPolarHBondContact O-CB 3.29Å; E877-R881 PolarHBondContact O-N 3.39Å; V878-R881 CarbonylContact O-C 3.53Å; V878-R881 PolarHBondContact O-N 2.72Å; K879-R881 VanDerWaalsContact C-N 3.3Å; R881-A884 CarbonylContact O-C 3.49Å; R881-A884 PolarHBondContact O-N 3Å; R881-E885 HydrophobicContact CG-CG 4.21Å; R881-E885 IonicContact CZ-OE1 2.79Å; R881-E885 IonicContact NE-OE1 3.76Å; R881-E885 PolarHBondContact NE-OE1 3.24Å; R881-E885 IonicContact NH2-OE1 3.73Å; R881-E885 PolarHBondContact NH2-OE1 3.27Å; R881-E885 WeakPolarHBondContact O-CA 3.45Å; R881-E885 WeakPolarHBondContact O-CB 3.01Å; R881-E885 WeakPolarHBondContact O-CG 3.42Å; R881-E885 PolarHBondContact O-N 3.42Å |
| 882 | E | 75.1 | Confident | 71.7 | Confident | 107 Ų | 107 | 87.7 Ų | 87.7 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.3 | -34.5 | 175.8 | -79.1 | 176.2 | 167.8 | 0 | 0 | 109.9 | V878 K879 E885 L886 | V878-E882 HydrophobicContact CG1-CG 4.09Å; V878-E882 WeakPolarHBondContact O-CA 3.48Å; V878-E882 WeakPolarHBondContact O-CB 3.49Å; V878-E882 WeakPolarHBondContact O-CG 3.31Å; V878-E882 PolarHBondContact O-N 2.66Å; K879-E882 PolarHBondContact O-N 2.71Å; E882-E885 CarbonylContact O-C 3.37Å; E882-E885 PolarHBondContact O-N 3.02Å; E882-L886 WeakPolarHBondContact O-CA 3.48Å; E882-L886 WeakPolarHBondContact O-CB 3.48Å; E882-L886 WeakPolarHBondContact O-CD1 3.39Å; E882-L886 WeakPolarHBondContact O-CG 3.34Å; E882-L886 PolarHBondContact O-N 3.28Å |
| 883 | Q | 71 | Confident | 71.9 | Confident | 123 Ų | 123 | 89.6 Ų | 89.6 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.6 | -35.4 | 167.6 | -74.3 | 176.8 | 1.5 | 0 | 0 | 110.8 | K879 L887 | K879-Q883 WeakPolarHBondContact O-CA 3.46Å; K879-Q883 WeakPolarHBondContact O-CB 3.42Å; K879-Q883 WeakPolarHBondContact O-CG 3.48Å; K879-Q883 PolarHBondContact O-N 2.67Å; Q883-L887 WeakPolarHBondContact O-CA 3.5Å; Q883-L887 WeakPolarHBondContact O-CB 3.46Å; Q883-L887 WeakPolarHBondContact O-CD1 3.21Å; Q883-L887 WeakPolarHBondContact O-CG 3.28Å; Q883-L887 PolarHBondContact O-N 3.04Å |
| 884 | A | 66.1 | Low | 72.2 | Confident | 56 Ų | 56 | 93.9 Ų | 93.9 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.5 | -22.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A880 R881 L888 | A880-A884 WeakPolarHBondContact O-CA 3.39Å; A880-A884 WeakPolarHBondContact O-CB 3.21Å; A880-A884 PolarHBondContact O-N 2.77Å; R881-A884 CarbonylContact O-C 3.49Å; R881-A884 PolarHBondContact O-N 3Å; A884-L888 WeakPolarHBondContact O-CA 3.36Å; A884-L888 WeakPolarHBondContact O-CB 3.29Å; A884-L888 PolarHBondContact O-N 3.38Å |
| 885 | E | 73 | Confident | 72.3 | Confident | 72 Ų | 72 | 93.5 Ų | 93.5 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -89.6 | -22.2 | 172.9 | -76.4 | 177.8 | -174.2 | 0 | 0 | 111.1 | R881 E882 Q889 | R881-E885 HydrophobicContact CG-CG 4.21Å; R881-E885 IonicContact CZ-OE1 2.79Å; R881-E885 IonicContact NE-OE1 3.76Å; R881-E885 PolarHBondContact NE-OE1 3.24Å; R881-E885 IonicContact NH2-OE1 3.73Å; R881-E885 PolarHBondContact NH2-OE1 3.27Å; R881-E885 WeakPolarHBondContact O-CA 3.45Å; R881-E885 WeakPolarHBondContact O-CB 3.01Å; R881-E885 WeakPolarHBondContact O-CG 3.42Å; R881-E885 PolarHBondContact O-N 3.42Å; E882-E885 CarbonylContact O-C 3.37Å; E882-E885 PolarHBondContact O-N 3.02Å; E885-Q889 WeakPolarHBondContact O-CA 3.19Å; E885-Q889 WeakPolarHBondContact O-CB 3.33Å; E885-Q889 WeakPolarHBondContact O-CG 3.27Å; E885-Q889 PolarHBondContact O-N 3.41Å; E885-Q889 PolarHBondContact O-NE2 2.93Å |
| 886 | L | 79.2 | Confident | 72.8 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -82.3 | -35.2 | 166.4 | -77.9 | 167.4 | 0 | 0 | 0 | 111.2 | E882 Q889 E890 | E882-L886 WeakPolarHBondContact O-CA 3.48Å; E882-L886 WeakPolarHBondContact O-CB 3.48Å; E882-L886 WeakPolarHBondContact O-CD1 3.39Å; E882-L886 WeakPolarHBondContact O-CG 3.34Å; E882-L886 PolarHBondContact O-N 3.28Å; L886-Q889 CarbonylContact O-C 3.55Å; L886-Q889 PolarHBondContact O-N 3.44Å; L886-E890 WeakPolarHBondContact O-CA 3.26Å; L886-E890 WeakPolarHBondContact O-CB 3.49Å; L886-E890 PolarHBondContact O-N 3.45Å |
| 887 | L | 76.3 | Confident | 73 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.9 | -32.2 | 168.7 | -73.4 | 167.4 | 0 | 0 | 0 | 110.4 | Q883 E890 V891 | Q883-L887 WeakPolarHBondContact O-CA 3.5Å; Q883-L887 WeakPolarHBondContact O-CB 3.46Å; Q883-L887 WeakPolarHBondContact O-CD1 3.21Å; Q883-L887 WeakPolarHBondContact O-CG 3.28Å; Q883-L887 PolarHBondContact O-N 3.04Å; L887-E890 PolarHBondContact O-N 3.48Å; L887-V891 WeakPolarHBondContact O-CA 3.47Å; L887-V891 WeakPolarHBondContact O-CB 3.48Å; L887-V891 WeakPolarHBondContact O-CG2 2.93Å; L887-V891 PolarHBondContact O-N 2.87Å |
| 888 | L | 74.2 | Confident | 73 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.5 | -35.7 | 166.9 | -177.3 | 67.3 | 0 | 0 | 0 | 110.1 | A884 E892 | A884-L888 WeakPolarHBondContact O-CA 3.36Å; A884-L888 WeakPolarHBondContact O-CB 3.29Å; A884-L888 PolarHBondContact O-N 3.38Å; L888-E892 HydrophobicContact CD1-CG 4.07Å; L888-E892 HydrophobicContact CG-CG 4.17Å; L888-E892 WeakPolarHBondContact O-CA 3.47Å; L888-E892 WeakPolarHBondContact O-CB 3.36Å; L888-E892 WeakPolarHBondContact O-CG 3.38Å; L888-E892 PolarHBondContact O-N 2.83Å |
| 889 | Q | 75.9 | Confident | 73 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.1 | -26.8 | 171.2 | -79.6 | 166 | 61.6 | 0 | 0 | 112.7 | E885 L886 A893 | E885-Q889 WeakPolarHBondContact O-CA 3.19Å; E885-Q889 WeakPolarHBondContact O-CB 3.33Å; E885-Q889 WeakPolarHBondContact O-CG 3.27Å; E885-Q889 PolarHBondContact O-N 3.41Å; E885-Q889 PolarHBondContact O-NE2 2.93Å; L886-Q889 CarbonylContact O-C 3.55Å; L886-Q889 PolarHBondContact O-N 3.44Å; Q889-A893 WeakPolarHBondContact O-CA 3.28Å; Q889-A893 WeakPolarHBondContact O-CB 3.5Å; Q889-A893 PolarHBondContact O-N 3.11Å |
| 890 | E | 77 | Confident | 73 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -81.9 | -33.6 | 174.4 | -170.6 | -170.6 | 169 | 0 | 0 | 110.2 | L886 L887 R894 | L886-E890 WeakPolarHBondContact O-CA 3.26Å; L886-E890 WeakPolarHBondContact O-CB 3.49Å; L886-E890 PolarHBondContact O-N 3.45Å; L887-E890 PolarHBondContact O-N 3.48Å; E890-R894 VanDerWaalsContact CD-NH1 3.28Å; E890-R894 WeakPolarHBondContact O-CA 3.21Å; E890-R894 WeakPolarHBondContact O-CB 3.44Å; E890-R894 VanDerWaalsContact O-CG 3.29Å; E890-R894 WeakPolarHBondContact O-CG 3.46Å; E890-R894 PolarHBondContact O-N 3.03Å; E890-R894 IonicContact OE1-CZ 2.69Å; E890-R894 IonicContact OE1-NH1 2.99Å; E890-R894 PolarHBondContact OE1-NH1 3.46Å; E890-R894 IonicContact OE1-NH2 3.87Å; E890-R894 PolarHBondContact OE1-NH2 2.94Å |
| 891 | V | 71 | Confident | 73.2 | Confident | 77 Ų | 77 | 100 Ų | 100 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.5 | -35.2 | 170.1 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L887 L895 | L887-V891 WeakPolarHBondContact O-CA 3.47Å; L887-V891 WeakPolarHBondContact O-CB 3.48Å; L887-V891 WeakPolarHBondContact O-CG2 2.93Å; L887-V891 PolarHBondContact O-N 2.87Å; V891-L895 WeakPolarHBondContact O-CA 3.41Å; V891-L895 WeakPolarHBondContact O-CB 3.1Å; V891-L895 PolarHBondContact O-N 2.9Å |
| 892 | E | 73.2 | Confident | 73.4 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75 | -33.8 | 171.5 | -76.5 | 179.6 | 177.5 | 0 | 0 | 110.7 | L888 K896 | L888-E892 HydrophobicContact CD1-CG 4.07Å; L888-E892 HydrophobicContact CG-CG 4.17Å; L888-E892 WeakPolarHBondContact O-CA 3.47Å; L888-E892 WeakPolarHBondContact O-CB 3.36Å; L888-E892 WeakPolarHBondContact O-CG 3.38Å; L888-E892 PolarHBondContact O-N 2.83Å; E892-K896 WeakPolarHBondContact O-CA 3.46Å; E892-K896 WeakPolarHBondContact O-CB 2.88Å; E892-K896 PolarHBondContact O-N 2.78Å |
| 893 | A | 75.4 | Confident | 73.3 | Confident | 57 Ų | 57 | 94.6 Ų | 94.6 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.4 | -37.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q889 E897 | Q889-A893 WeakPolarHBondContact O-CA 3.28Å; Q889-A893 WeakPolarHBondContact O-CB 3.5Å; Q889-A893 PolarHBondContact O-N 3.11Å; A893-E897 WeakPolarHBondContact O-CA 3.32Å; A893-E897 WeakPolarHBondContact O-CB 3.05Å; A893-E897 PolarHBondContact O-N 3.41Å |
| 894 | R | 72 | Confident | 73.2 | Confident | 138 Ų | 138 | 94 Ų | 94 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -33 | 170.2 | -82.7 | -163.6 | -176.2 | 94.7 | 14.4 | 112.6 | E890 M898 | E890-R894 VanDerWaalsContact CD-NH1 3.28Å; E890-R894 WeakPolarHBondContact O-CA 3.21Å; E890-R894 WeakPolarHBondContact O-CB 3.44Å; E890-R894 VanDerWaalsContact O-CG 3.29Å; E890-R894 WeakPolarHBondContact O-CG 3.46Å; E890-R894 PolarHBondContact O-N 3.03Å; E890-R894 IonicContact OE1-CZ 2.69Å; E890-R894 IonicContact OE1-NH1 2.99Å; E890-R894 PolarHBondContact OE1-NH1 3.46Å; E890-R894 IonicContact OE1-NH2 3.87Å; E890-R894 PolarHBondContact OE1-NH2 2.94Å; R894-M898 WeakPolarHBondContact O-CA 3.17Å; R894-M898 WeakPolarHBondContact O-CB 3.07Å; R894-M898 WeakPolarHBondContact O-CG 3.42Å; R894-M898 PolarHBondContact O-N 3.31Å |
| 895 | L | 71.7 | Confident | 73.5 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.9 | -32.6 | 178.7 | -172.5 | 151.2 | 0 | 0 | 0 | 109.6 | V891 M898 Y899 | V891-L895 WeakPolarHBondContact O-CA 3.41Å; V891-L895 WeakPolarHBondContact O-CB 3.1Å; V891-L895 PolarHBondContact O-N 2.9Å; L895-M898 CarbonylContact O-C 3.5Å; L895-Y899 HydrophobicContact CD2-CD2 4.13Å; L895-Y899 WeakPolarHBondContact O-CA 3.4Å; L895-Y899 VanDerWaalsContact O-CB 3.24Å; L895-Y899 WeakPolarHBondContact O-CB 3.4Å; L895-Y899 PolarHBondContact O-N 2.87Å |
| 896 | K | 79.4 | Confident | 73.4 | Confident | 129 Ų | 129 | 96.7 Ų | 96.7 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.4 | -39.8 | 165.2 | -177.8 | -176.4 | 172.1 | -169.1 | 0 | 111.7 | E892 M898 Y899 D900 | E892-K896 WeakPolarHBondContact O-CA 3.46Å; E892-K896 WeakPolarHBondContact O-CB 2.88Å; E892-K896 PolarHBondContact O-N 2.78Å; K896-M898 VanDerWaalsContact C-N 3.33Å; K896-Y899 CarbonylContact O-C 3.6Å; K896-Y899 WeakPolarHBondContact O-CA 3.41Å; K896-Y899 PolarHBondContact O-N 2.94Å; K896-Y899 VanDerWaalsContact O-N 3.11Å; K896-D900 VanDerWaalsContact CE-OD2 3.28Å; K896-D900 WeakPolarHBondContact CE-OD2 3.43Å; K896-D900 WeakPolarHBondContact CG-OD2 3.38Å; K896-D900 WeakPolarHBondContact O-CA 3.46Å; K896-D900 WeakPolarHBondContact O-CB 3.5Å; K896-D900 VanDerWaalsContact O-CG 3.27Å; K896-D900 PolarHBondContact O-N 3.31Å |
| 897 | E | 76.3 | Confident | 73.2 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 49% | 0.486 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 174 | -166.9 | -153.5 | 151.3 | 0 | 0 | 109.4 | A893 Y899 D900 Q901 | A893-E897 WeakPolarHBondContact O-CA 3.32Å; A893-E897 WeakPolarHBondContact O-CB 3.05Å; A893-E897 PolarHBondContact O-N 3.41Å; E897-Y899 VanDerWaalsContact C-N 3.34Å; E897-D900 CarbonylContact O-C 3.56Å; E897-D900 PolarHBondContact O-N 3.01Å; E897-Q901 HydrophobicContact CG-CG 4.47Å; E897-Q901 WeakPolarHBondContact O-CA 3.38Å; E897-Q901 WeakPolarHBondContact O-CB 3.19Å; E897-Q901 WeakPolarHBondContact O-CG 3.22Å; E897-Q901 PolarHBondContact O-N 3.41Å; E897-Q901 PolarHBondContact OE1-NE2 2.84Å |
| 898 | M | 67 | Low | 72.9 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 168.8 | -74.6 | -81 | -76.9 | 0 | 0 | 111.2 | R894 L895 K896 D900 I902 | R894-M898 WeakPolarHBondContact O-CA 3.17Å; R894-M898 WeakPolarHBondContact O-CB 3.07Å; R894-M898 WeakPolarHBondContact O-CG 3.42Å; R894-M898 PolarHBondContact O-N 3.31Å; L895-M898 CarbonylContact O-C 3.5Å; K896-M898 VanDerWaalsContact C-N 3.33Å; M898-D900 VanDerWaalsContact C-N 3.34Å; M898-I902 WeakPolarHBondContact O-CA 3.5Å; M898-I902 WeakPolarHBondContact O-CB 3.49Å; M898-I902 WeakPolarHBondContact O-CD1 3.43Å; M898-I902 WeakPolarHBondContact O-CG1 3.44Å; M898-I902 PolarHBondContact O-N 3Å |
| 899 | Y | 70.6 | Confident | 72.7 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 55% | 0.549 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.7 | -29.7 | 172.9 | -125.6 | -79 | 0 | 0 | 0 | 112.1 | L895 K896 E897 N903 | L895-Y899 HydrophobicContact CD2-CD2 4.13Å; L895-Y899 WeakPolarHBondContact O-CA 3.4Å; L895-Y899 VanDerWaalsContact O-CB 3.24Å; L895-Y899 WeakPolarHBondContact O-CB 3.4Å; L895-Y899 PolarHBondContact O-N 2.87Å; K896-Y899 CarbonylContact O-C 3.6Å; K896-Y899 WeakPolarHBondContact O-CA 3.41Å; K896-Y899 PolarHBondContact O-N 2.94Å; K896-Y899 VanDerWaalsContact O-N 3.11Å; E897-Y899 VanDerWaalsContact C-N 3.34Å; Y899-N903 WeakPolarHBondContact O-CA 3.48Å; Y899-N903 WeakPolarHBondContact O-CB 3.32Å; Y899-N903 PolarHBondContact O-N 3Å; Y899-N903 PolarHBondContact O-ND2 3.36Å |
| 900 | D | 75.7 | Confident | 72.5 | Confident | 65 Ų | 65 | 97.7 Ų | 97.7 | 35% | 0.348 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -89.2 | -26.5 | -179.1 | -75.1 | -21.6 | 0 | 0 | 0 | 110.6 | K896 E897 M898 N903 Q904 | K896-D900 VanDerWaalsContact CE-OD2 3.28Å; K896-D900 WeakPolarHBondContact CE-OD2 3.43Å; K896-D900 WeakPolarHBondContact CG-OD2 3.38Å; K896-D900 WeakPolarHBondContact O-CA 3.46Å; K896-D900 WeakPolarHBondContact O-CB 3.5Å; K896-D900 VanDerWaalsContact O-CG 3.27Å; K896-D900 PolarHBondContact O-N 3.31Å; E897-D900 CarbonylContact O-C 3.56Å; E897-D900 PolarHBondContact O-N 3.01Å; M898-D900 VanDerWaalsContact C-N 3.34Å; D900-N903 PolarHBondContact OD1-ND2 3.27Å; D900-Q904 WeakPolarHBondContact O-CA 3.45Å; D900-Q904 WeakPolarHBondContact O-CB 3.36Å; D900-Q904 WeakPolarHBondContact O-CG 3.43Å; D900-Q904 PolarHBondContact O-N 3.16Å |
| 901 | Q | 71.3 | Confident | 72.4 | Confident | 69 Ų | 69 | 98 Ų | 98 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.5 | -37.6 | 163.6 | -76.2 | -171.5 | 35.1 | 0 | 0 | 110.7 | E897 K905 | E897-Q901 HydrophobicContact CG-CG 4.47Å; E897-Q901 WeakPolarHBondContact O-CA 3.38Å; E897-Q901 WeakPolarHBondContact O-CB 3.19Å; E897-Q901 WeakPolarHBondContact O-CG 3.22Å; E897-Q901 PolarHBondContact O-N 3.41Å; E897-Q901 PolarHBondContact OE1-NE2 2.84Å; Q901-K905 WeakPolarHBondContact O-CB 3.43Å; Q901-K905 WeakPolarHBondContact O-CG 3.37Å; Q901-K905 PolarHBondContact O-N 3.4Å |
| 902 | I | 69.7 | Low | 72.3 | Confident | 84 Ų | 84 | 100.1 Ų | 100.1 | 43% | 0.431 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 170.1 | -74.9 | 163.5 | 0 | 0 | 0 | 108.3 | M898 Q904 K905 D906 | M898-I902 WeakPolarHBondContact O-CA 3.5Å; M898-I902 WeakPolarHBondContact O-CB 3.49Å; M898-I902 WeakPolarHBondContact O-CD1 3.43Å; M898-I902 WeakPolarHBondContact O-CG1 3.44Å; M898-I902 PolarHBondContact O-N 3Å; I902-Q904 VanDerWaalsContact C-N 3.34Å; I902-Q904 PolarHBondContact O-N 3.41Å; I902-K905 CarbonylContact O-C 3.31Å; I902-K905 PolarHBondContact O-N 3.4Å; I902-K905 VanDerWaalsContact O-N 3.12Å; I902-D906 WeakPolarHBondContact O-CB 3.14Å; I902-D906 PolarHBondContact O-N 3.18Å |
| 903 | N | 72.4 | Confident | 72.3 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 35% | 0.348 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 174.8 | -73.5 | -33.7 | 0 | 0 | 0 | 111.3 | Y899 D900 D906 L907 | Y899-N903 WeakPolarHBondContact O-CA 3.48Å; Y899-N903 WeakPolarHBondContact O-CB 3.32Å; Y899-N903 PolarHBondContact O-N 3Å; Y899-N903 PolarHBondContact O-ND2 3.36Å; D900-N903 PolarHBondContact OD1-ND2 3.27Å; N903-D906 CarbonylContact O-C 3.56Å; N903-D906 PolarHBondContact O-N 3.46Å; N903-L907 WeakPolarHBondContact O-CA 3.41Å; N903-L907 WeakPolarHBondContact O-CB 3.49Å; N903-L907 WeakPolarHBondContact O-CD1 3.4Å; N903-L907 WeakPolarHBondContact O-CG 3.42Å; N903-L907 PolarHBondContact O-N 2.94Å |
| 904 | Q | 70.5 | Confident | 72.1 | Confident | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 173.2 | -82.3 | 178.6 | 45.6 | 0 | 0 | 112.2 | D900 I902 K908 | D900-Q904 WeakPolarHBondContact O-CA 3.45Å; D900-Q904 WeakPolarHBondContact O-CB 3.36Å; D900-Q904 WeakPolarHBondContact O-CG 3.43Å; D900-Q904 PolarHBondContact O-N 3.16Å; I902-Q904 VanDerWaalsContact C-N 3.34Å; I902-Q904 PolarHBondContact O-N 3.41Å; Q904-K908 WeakPolarHBondContact O-CB 3.31Å; Q904-K908 WeakPolarHBondContact O-CG 3.45Å; Q904-K908 PolarHBondContact O-N 3.22Å |
| 905 | K | 71 | Confident | 72.2 | Confident | 122 Ų | 122 | 100.6 Ų | 100.6 | 53% | 0.53 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.5 | -34.7 | 172.3 | -77.9 | 168.5 | -178.1 | 167.1 | 0 | 110.9 | Q901 I902 K908 I909 | Q901-K905 WeakPolarHBondContact O-CB 3.43Å; Q901-K905 WeakPolarHBondContact O-CG 3.37Å; Q901-K905 PolarHBondContact O-N 3.4Å; I902-K905 CarbonylContact O-C 3.31Å; I902-K905 PolarHBondContact O-N 3.4Å; I902-K905 VanDerWaalsContact O-N 3.12Å; K905-K908 CarbonylContact O-C 3.57Å; K905-K908 PolarHBondContact O-N 3.3Å; K905-I909 WeakPolarHBondContact O-CA 3.29Å; K905-I909 WeakPolarHBondContact O-CB 3.35Å; K905-I909 WeakPolarHBondContact O-CD1 3.4Å; K905-I909 WeakPolarHBondContact O-CG1 3.5Å; K905-I909 PolarHBondContact O-N 3.18Å |
| 906 | D | 70.8 | Confident | 72.2 | Confident | 61 Ų | 61 | 100 Ų | 100 | 33% | 0.326 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.9 | -32.1 | 173.9 | -107.2 | 39.8 | 0 | 0 | 0 | 111.6 | I902 N903 K910 | I902-D906 WeakPolarHBondContact O-CB 3.14Å; I902-D906 PolarHBondContact O-N 3.18Å; N903-D906 CarbonylContact O-C 3.56Å; N903-D906 PolarHBondContact O-N 3.46Å; D906-K910 WeakPolarHBondContact O-CB 3.49Å; D906-K910 WeakPolarHBondContact O-CD 3.42Å; D906-K910 WeakPolarHBondContact O-CG 3.47Å; D906-K910 PolarHBondContact O-N 3.06Å; D906-K910 IonicContact OD2-NZ 3.99Å; D906-K910 PolarHBondContact OD2-NZ 3.32Å |
| 907 | L | 76.5 | Confident | 71.7 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -76.9 | -37.6 | 171.3 | -76.9 | 166.7 | 0 | 0 | 0 | 110.1 | N903 E911 | N903-L907 WeakPolarHBondContact O-CA 3.41Å; N903-L907 WeakPolarHBondContact O-CB 3.49Å; N903-L907 WeakPolarHBondContact O-CD1 3.4Å; N903-L907 WeakPolarHBondContact O-CG 3.42Å; N903-L907 PolarHBondContact O-N 2.94Å; L907-E911 WeakPolarHBondContact O-CA 3.48Å; L907-E911 WeakPolarHBondContact O-CB 3.44Å; L907-E911 PolarHBondContact O-N 2.93Å |
| 908 | K | 69.6 | Low | 71.7 | Confident | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.6 | -31.6 | 170 | -77.3 | 172.5 | 178.8 | 175.7 | 0 | 112.5 | Q904 K905 Q912 | Q904-K908 WeakPolarHBondContact O-CB 3.31Å; Q904-K908 WeakPolarHBondContact O-CG 3.45Å; Q904-K908 PolarHBondContact O-N 3.22Å; K905-K908 CarbonylContact O-C 3.57Å; K905-K908 PolarHBondContact O-N 3.3Å; K908-Q912 WeakPolarHBondContact O-CA 3.16Å; K908-Q912 WeakPolarHBondContact O-CB 3.4Å; K908-Q912 WeakPolarHBondContact O-CG 3.46Å; K908-Q912 PolarHBondContact O-N 3.06Å |
| 909 | I | 69.6 | Low | 71.9 | Confident | 79 Ų | 79 | 99.5 Ų | 99.5 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.4 | -47 | 172 | -75.2 | 161.1 | 0 | 0 | 0 | 108.5 | K905 E911 Q912 D913 | K905-I909 WeakPolarHBondContact O-CA 3.29Å; K905-I909 WeakPolarHBondContact O-CB 3.35Å; K905-I909 WeakPolarHBondContact O-CD1 3.4Å; K905-I909 WeakPolarHBondContact O-CG1 3.5Å; K905-I909 PolarHBondContact O-N 3.18Å; I909-E911 VanDerWaalsContact C-N 3.26Å; I909-E911 PolarHBondContact O-N 3.18Å; I909-Q912 CarbonylContact O-C 3.53Å; I909-Q912 PolarHBondContact O-N 2.76Å; I909-D913 WeakPolarHBondContact CG2-OD2 3.46Å; I909-D913 WeakPolarHBondContact O-CA 3.22Å; I909-D913 WeakPolarHBondContact O-CB 3.44Å; I909-D913 PolarHBondContact O-N 3.34Å |
| 910 | K | 72.5 | Confident | 71.7 | Confident | 102 Ų | 102 | 97.2 Ų | 97.2 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.8 | -30.5 | 173.9 | -73.3 | 158.2 | -163.2 | 139.4 | 0 | 112.7 | D906 R914 | D906-K910 WeakPolarHBondContact O-CB 3.49Å; D906-K910 WeakPolarHBondContact O-CD 3.42Å; D906-K910 WeakPolarHBondContact O-CG 3.47Å; D906-K910 PolarHBondContact O-N 3.06Å; D906-K910 IonicContact OD2-NZ 3.99Å; D906-K910 PolarHBondContact OD2-NZ 3.32Å; K910-R914 VanDerWaalsContact O-CB 3.3Å; K910-R914 WeakPolarHBondContact O-CB 3.37Å; K910-R914 WeakPolarHBondContact O-CD 3.34Å; K910-R914 WeakPolarHBondContact O-CG 3.25Å; K910-R914 PolarHBondContact O-N 3.07Å |
| 911 | E | 74.1 | Confident | 71.5 | Confident | 87 Ų | 87 | 97 Ų | 97 | 41% | 0.407 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -81.4 | -33.4 | 174.5 | -160.8 | 65.7 | -168 | 0 | 0 | 111.5 | L907 I909 R914 I915 | L907-E911 WeakPolarHBondContact O-CA 3.48Å; L907-E911 WeakPolarHBondContact O-CB 3.44Å; L907-E911 PolarHBondContact O-N 2.93Å; I909-E911 VanDerWaalsContact C-N 3.26Å; I909-E911 PolarHBondContact O-N 3.18Å; E911-R914 PolarHBondContact O-N 3.07Å; E911-R914 WeakPolarHBondContact OE2-CD 3.15Å; E911-R914 IonicContact OE2-CZ 3.67Å; E911-R914 IonicContact OE2-NE 3.17Å; E911-R914 IonicContact OE2-NH1 3.89Å; E911-R914 PolarHBondContact OE2-NH1 3.48Å; E911-I915 HydrophobicContact CG-CD1 4.31Å; E911-I915 VanDerWaalsContact O-CB 3.27Å; E911-I915 WeakPolarHBondContact O-CB 3.49Å; E911-I915 WeakPolarHBondContact O-CD1 3.46Å; E911-I915 WeakPolarHBondContact O-CG1 3.47Å; E911-I915 PolarHBondContact O-N 3.46Å |
| 912 | Q | 69.9 | Low | 71.5 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -34 | 167.6 | -80.6 | 177.1 | -23.4 | 0 | 0 | 111.9 | K908 I909 I915 I916 | K908-Q912 WeakPolarHBondContact O-CA 3.16Å; K908-Q912 WeakPolarHBondContact O-CB 3.4Å; K908-Q912 WeakPolarHBondContact O-CG 3.46Å; K908-Q912 PolarHBondContact O-N 3.06Å; I909-Q912 CarbonylContact O-C 3.53Å; I909-Q912 PolarHBondContact O-N 2.76Å; Q912-I915 CarbonylContact O-C 3.54Å; Q912-I915 PolarHBondContact O-N 3.16Å; Q912-I916 WeakPolarHBondContact O-CB 2.92Å; Q912-I916 WeakPolarHBondContact O-CD1 3.48Å; Q912-I916 WeakPolarHBondContact O-CG1 3.41Å; Q912-I916 PolarHBondContact O-N 2.83Å |
| 913 | D | 72.1 | Confident | 71.5 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.2 | -40 | 174.3 | -72.8 | -28 | 0 | 0 | 0 | 109 | I909 I916 E917 | I909-D913 WeakPolarHBondContact CG2-OD2 3.46Å; I909-D913 WeakPolarHBondContact O-CA 3.22Å; I909-D913 WeakPolarHBondContact O-CB 3.44Å; I909-D913 PolarHBondContact O-N 3.34Å; D913-I916 CarbonylContact O-C 3.38Å; D913-I916 PolarHBondContact O-N 3.21Å; D913-E917 WeakPolarHBondContact O-CA 3.34Å; D913-E917 WeakPolarHBondContact O-CB 3.41Å; D913-E917 PolarHBondContact O-N 2.98Å |
| 914 | R | 71.7 | Confident | 71.4 | Confident | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 168.1 | -79.2 | 163.6 | 170.2 | -177.7 | -3.6 | 112.4 | K910 E911 I916 E917 H918 | K910-R914 VanDerWaalsContact O-CB 3.3Å; K910-R914 WeakPolarHBondContact O-CB 3.37Å; K910-R914 WeakPolarHBondContact O-CD 3.34Å; K910-R914 WeakPolarHBondContact O-CG 3.25Å; K910-R914 PolarHBondContact O-N 3.07Å; E911-R914 PolarHBondContact O-N 3.07Å; E911-R914 WeakPolarHBondContact OE2-CD 3.15Å; E911-R914 IonicContact OE2-CZ 3.67Å; E911-R914 IonicContact OE2-NE 3.17Å; E911-R914 IonicContact OE2-NH1 3.89Å; E911-R914 PolarHBondContact OE2-NH1 3.48Å; R914-I916 VanDerWaalsContact C-N 3.35Å; R914-E917 PolarHBondContact O-N 3.34Å; R914-H918 WeakPolarHBondContact O-CA 3.43Å; R914-H918 WeakPolarHBondContact O-CB 3.36Å; R914-H918 PolarHBondContact O-N 3.05Å |
| 915 | I | 74.1 | Confident | 71.3 | Confident | 86 Ų | 86 | 101.5 Ų | 101.5 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 174.4 | -72.8 | 160 | 0 | 0 | 0 | 109.6 | E911 Q912 L919 | E911-I915 HydrophobicContact CG-CD1 4.31Å; E911-I915 VanDerWaalsContact O-CB 3.27Å; E911-I915 WeakPolarHBondContact O-CB 3.49Å; E911-I915 WeakPolarHBondContact O-CD1 3.46Å; E911-I915 WeakPolarHBondContact O-CG1 3.47Å; E911-I915 PolarHBondContact O-N 3.46Å; Q912-I915 CarbonylContact O-C 3.54Å; Q912-I915 PolarHBondContact O-N 3.16Å; I915-L919 HydrophobicContact CG2-CD1 3.74Å; I915-L919 HydrophobicContact CG2-CG 4.24Å; I915-L919 WeakPolarHBondContact O-CA 3.46Å; I915-L919 WeakPolarHBondContact O-CB 3.15Å; I915-L919 WeakPolarHBondContact O-CD1 3.37Å; I915-L919 WeakPolarHBondContact O-CG 3.04Å; I915-L919 PolarHBondContact O-N 2.99Å |
| 916 | I | 70.7 | Confident | 71 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.8 | -33 | 174 | -74.4 | 162.3 | 0 | 0 | 0 | 110.8 | Q912 D913 R914 N920 | Q912-I916 WeakPolarHBondContact O-CB 2.92Å; Q912-I916 WeakPolarHBondContact O-CD1 3.48Å; Q912-I916 WeakPolarHBondContact O-CG1 3.41Å; Q912-I916 PolarHBondContact O-N 2.83Å; D913-I916 CarbonylContact O-C 3.38Å; D913-I916 PolarHBondContact O-N 3.21Å; R914-I916 VanDerWaalsContact C-N 3.35Å; I916-N920 WeakPolarHBondContact CG2-ND2 3.47Å; I916-N920 WeakPolarHBondContact O-CA 3.36Å; I916-N920 WeakPolarHBondContact O-CB 2.91Å; I916-N920 PolarHBondContact O-N 2.96Å; I916-N920 PolarHBondContact O-ND2 3.07Å |
| 917 | E | 70.7 | Confident | 70.7 | Confident | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -80.1 | -32.5 | 177.2 | -174.8 | 172.1 | -120.8 | 0 | 0 | 110.7 | D913 R914 S921 | D913-E917 WeakPolarHBondContact O-CA 3.34Å; D913-E917 WeakPolarHBondContact O-CB 3.41Å; D913-E917 PolarHBondContact O-N 2.98Å; R914-E917 PolarHBondContact O-N 3.34Å; E917-S921 WeakPolarHBondContact O-CA 3.42Å; E917-S921 WeakPolarHBondContact O-CB 3.13Å; E917-S921 PolarHBondContact O-N 2.89Å; E917-S921 PolarHBondContact O-OG 2.99Å |
| 918 | H | 74.4 | Confident | 70 | Confident | 112 Ų | 112 | 96.1 Ų | 96.1 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.4 | -37.3 | 169.3 | -172.5 | 61.7 | 0 | 0 | 0 | 111.5 | R914 S921 Q922 | R914-H918 WeakPolarHBondContact O-CA 3.43Å; R914-H918 WeakPolarHBondContact O-CB 3.36Å; R914-H918 PolarHBondContact O-N 3.05Å; H918-S921 CarbonylContact O-C 3.56Å; H918-S921 PolarHBondContact O-N 2.76Å; H918-Q922 PolarHBondContact CD2-NE2 2.91Å; H918-Q922 VanDerWaalsContact CD2-NE2 3.34Å; H918-Q922 PolarHBondContact NE2-NE2 3.26Å; H918-Q922 VanDerWaalsContact O-CB 3.31Å; H918-Q922 WeakPolarHBondContact O-CB 3.3Å; H918-Q922 VanDerWaalsContact O-CG 3.28Å; H918-Q922 WeakPolarHBondContact O-CG 3.46Å; H918-Q922 PolarHBondContact O-N 2.96Å |
| 919 | L | 71.4 | Confident | 69.9 | Low | 88 Ų | 88 | 94.9 Ų | 94.9 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71 | -34.2 | 169.9 | -75.9 | 169.5 | 0 | 0 | 0 | 111.2 | I915 S921 Q922 L923 | I915-L919 HydrophobicContact CG2-CD1 3.74Å; I915-L919 HydrophobicContact CG2-CG 4.24Å; I915-L919 WeakPolarHBondContact O-CA 3.46Å; I915-L919 WeakPolarHBondContact O-CB 3.15Å; I915-L919 WeakPolarHBondContact O-CD1 3.37Å; I915-L919 WeakPolarHBondContact O-CG 3.04Å; I915-L919 PolarHBondContact O-N 2.99Å; L919-S921 VanDerWaalsContact C-N 3.34Å; L919-Q922 CarbonylContact O-C 3.45Å; L919-L923 WeakPolarHBondContact O-CA 3.13Å; L919-L923 WeakPolarHBondContact O-CB 3.46Å; L919-L923 PolarHBondContact O-N 2.94Å |
| 920 | N | 68.1 | Low | 69.4 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -30.5 | 170.1 | -78.7 | -35.6 | 0 | 0 | 0 | 110.9 | I916 L924 | I916-N920 WeakPolarHBondContact CG2-ND2 3.47Å; I916-N920 WeakPolarHBondContact O-CA 3.36Å; I916-N920 WeakPolarHBondContact O-CB 2.91Å; I916-N920 PolarHBondContact O-N 2.96Å; I916-N920 PolarHBondContact O-ND2 3.07Å; N920-L924 WeakPolarHBondContact O-CA 3.29Å; N920-L924 WeakPolarHBondContact O-CB 3.35Å; N920-L924 PolarHBondContact O-N 3.09Å |
| 921 | S | 70.7 | Confident | 68.6 | Low | 60 Ų | 60 | 96.3 Ų | 96.3 | 42% | 0.42 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -44.1 | 170.8 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | E917 H918 L919 L923 L924 E925 | E917-S921 WeakPolarHBondContact O-CA 3.42Å; E917-S921 WeakPolarHBondContact O-CB 3.13Å; E917-S921 PolarHBondContact O-N 2.89Å; E917-S921 PolarHBondContact O-OG 2.99Å; H918-S921 CarbonylContact O-C 3.56Å; H918-S921 PolarHBondContact O-N 2.76Å; L919-S921 VanDerWaalsContact C-N 3.34Å; S921-L923 VanDerWaalsContact C-N 3.33Å; S921-L923 PolarHBondContact O-N 3.21Å; S921-L924 PolarHBondContact O-N 3.01Å; S921-E925 WeakPolarHBondContact O-CA 3.36Å; S921-E925 WeakPolarHBondContact O-CB 3.48Å; S921-E925 PolarHBondContact O-N 3.06Å |
| 922 | Q | 72.2 | Confident | 67.7 | Low | 92 Ų | 92 | 96.6 Ų | 96.6 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -30.1 | 172.9 | -75.7 | -175.6 | 14.3 | 0 | 0 | 112.1 | H918 L919 A926 | H918-Q922 PolarHBondContact CD2-NE2 2.91Å; H918-Q922 VanDerWaalsContact CD2-NE2 3.34Å; H918-Q922 PolarHBondContact NE2-NE2 3.26Å; H918-Q922 VanDerWaalsContact O-CB 3.31Å; H918-Q922 WeakPolarHBondContact O-CB 3.3Å; H918-Q922 VanDerWaalsContact O-CG 3.28Å; H918-Q922 WeakPolarHBondContact O-CG 3.46Å; H918-Q922 PolarHBondContact O-N 2.96Å; L919-Q922 CarbonylContact O-C 3.45Å; Q922-A926 WeakPolarHBondContact O-CA 3.09Å; Q922-A926 WeakPolarHBondContact O-CB 3.44Å; Q922-A926 PolarHBondContact O-N 2.9Å |
| 923 | L | 68.2 | Low | 66.9 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -86.3 | -29.9 | 178.1 | -172.5 | 150.4 | 0 | 0 | 0 | 110.8 | L919 S921 S927 | L919-L923 WeakPolarHBondContact O-CA 3.13Å; L919-L923 WeakPolarHBondContact O-CB 3.46Å; L919-L923 PolarHBondContact O-N 2.94Å; S921-L923 VanDerWaalsContact C-N 3.33Å; S921-L923 PolarHBondContact O-N 3.21Å; L923-S927 WeakPolarHBondContact O-CA 3.3Å; L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.24Å |
| 924 | L | 70.6 | Confident | 65.9 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 165.8 | 179.2 | 61.2 | 0 | 0 | 0 | 110.6 | N920 S921 S927 N928 | N920-L924 WeakPolarHBondContact O-CA 3.29Å; N920-L924 WeakPolarHBondContact O-CB 3.35Å; N920-L924 PolarHBondContact O-N 3.09Å; S921-L924 PolarHBondContact O-N 3.01Å; L924-S927 CarbonylContact O-C 3.6Å; L924-S927 PolarHBondContact O-N 2.77Å; L924-N928 WeakPolarHBondContact O-CA 3.34Å; L924-N928 WeakPolarHBondContact O-CB 3.36Å; L924-N928 PolarHBondContact O-N 3.03Å; L924-N928 PolarHBondContact O-ND2 3.17Å; L924-N928 VanDerWaalsContact O-ND2 3.16Å |
| 925 | E | 68.3 | Low | 65 | Low | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.9 | -37.5 | 176.3 | -175 | 165.3 | -139.1 | 0 | 0 | 111 | S921 N928 Q929 | S921-E925 WeakPolarHBondContact O-CA 3.36Å; S921-E925 WeakPolarHBondContact O-CB 3.48Å; S921-E925 PolarHBondContact O-N 3.06Å; E925-N928 CarbonylContact O-C 3.56Å; E925-N928 PolarHBondContact O-N 3.44Å; E925-Q929 WeakPolarHBondContact O-CA 3.37Å; E925-Q929 WeakPolarHBondContact O-CB 3.24Å; E925-Q929 WeakPolarHBondContact O-CG 3.35Å; E925-Q929 PolarHBondContact O-N 2.91Å |
| 926 | A | 64.3 | Low | 63.9 | Low | 53 Ų | 53 | 97.5 Ų | 97.5 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.8 | -24.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q922 A930 | Q922-A926 WeakPolarHBondContact O-CA 3.09Å; Q922-A926 WeakPolarHBondContact O-CB 3.44Å; Q922-A926 PolarHBondContact O-N 2.9Å; A926-A930 WeakPolarHBondContact O-CA 3.25Å; A926-A930 WeakPolarHBondContact O-CB 3.42Å; A926-A930 PolarHBondContact O-N 2.84Å |
| 927 | S | 64.6 | Low | 62.8 | Low | 61 Ų | 61 | 97.8 Ų | 97.8 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80 | -31 | 169.8 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | L923 L924 A930 R931 | L923-S927 WeakPolarHBondContact O-CA 3.3Å; L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.24Å; L924-S927 CarbonylContact O-C 3.6Å; L924-S927 PolarHBondContact O-N 2.77Å; S927-A930 CarbonylContact O-C 3.59Å; S927-R931 VanDerWaalsContact O-CB 3.23Å; S927-R931 WeakPolarHBondContact O-CB 3.44Å; S927-R931 PolarHBondContact O-N 3.49Å |
| 928 | N | 63.2 | Low | 61.6 | Low | 67 Ų | 67 | 95.2 Ų | 95.2 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.4 | -36.2 | 170.5 | -75.1 | -24.7 | 0 | 0 | 0 | 111.3 | L924 E925 R931 L932 | L924-N928 WeakPolarHBondContact O-CA 3.34Å; L924-N928 WeakPolarHBondContact O-CB 3.36Å; L924-N928 PolarHBondContact O-N 3.03Å; L924-N928 PolarHBondContact O-ND2 3.17Å; L924-N928 VanDerWaalsContact O-ND2 3.16Å; E925-N928 CarbonylContact O-C 3.56Å; E925-N928 PolarHBondContact O-N 3.44Å; N928-R931 CarbonylContact O-C 3.52Å; N928-R931 WeakPolarHBondContact O-CB 3.45Å; N928-R931 PolarHBondContact O-N 2.99Å; N928-L932 VanDerWaalsContact O-CB 3.26Å; N928-L932 WeakPolarHBondContact O-CB 3.39Å; N928-L932 WeakPolarHBondContact O-CD1 3.4Å; N928-L932 WeakPolarHBondContact O-CG 3.45Å; N928-L932 PolarHBondContact O-N 3.08Å |
| 929 | Q | 66.4 | Low | 60.4 | Low | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.3 | -34.3 | 168.7 | -74.3 | 177.5 | 19.7 | 0 | 0 | 110.6 | E925 R931 L932 C933 | E925-Q929 WeakPolarHBondContact O-CA 3.37Å; E925-Q929 WeakPolarHBondContact O-CB 3.24Å; E925-Q929 WeakPolarHBondContact O-CG 3.35Å; E925-Q929 PolarHBondContact O-N 2.91Å; Q929-R931 VanDerWaalsContact C-N 3.31Å; Q929-L932 CarbonylContact O-C 3.55Å; Q929-L932 PolarHBondContact O-N 3.31Å; Q929-C933 WeakPolarHBondContact O-CA 3.5Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 3.01Å; Q929-C933 PolarHBondContact O-SG 3.4Å |
| 930 | A | 59.3 | Low | 59.2 | Low | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.4 | -25.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A926 S927 R934 | A926-A930 WeakPolarHBondContact O-CA 3.25Å; A926-A930 WeakPolarHBondContact O-CB 3.42Å; A926-A930 PolarHBondContact O-N 2.84Å; S927-A930 CarbonylContact O-C 3.59Å; A930-R934 WeakPolarHBondContact O-CB 3.41Å; A930-R934 WeakPolarHBondContact O-CD 3.43Å; A930-R934 WeakPolarHBondContact O-CG 3.47Å; A930-R934 PolarHBondContact O-N 3.18Å |
| 931 | R | 56.3 | Low | 57.7 | Low | 167 Ų | 167 | 92.4 Ų | 92.4 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -76.7 | -34.7 | 167.9 | -96.1 | 178.8 | 157.1 | 176.2 | -5.2 | 112.2 | S927 N928 Q929 M935 | S927-R931 VanDerWaalsContact O-CB 3.23Å; S927-R931 WeakPolarHBondContact O-CB 3.44Å; S927-R931 PolarHBondContact O-N 3.49Å; N928-R931 CarbonylContact O-C 3.52Å; N928-R931 WeakPolarHBondContact O-CB 3.45Å; N928-R931 PolarHBondContact O-N 2.99Å; Q929-R931 VanDerWaalsContact C-N 3.31Å; R931-M935 WeakPolarHBondContact O-CB 3.32Å; R931-M935 WeakPolarHBondContact O-CG 3.29Å; R931-M935 PolarHBondContact O-N 3.44Å |
| 932 | L | 55.3 | Low | 56.3 | Low | 93 Ų | 93 | 94.8 Ų | 94.8 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78.3 | -32.7 | 176.1 | -77.1 | 162.3 | 0 | 0 | 0 | 111 | N928 Q929 N936 | N928-L932 VanDerWaalsContact O-CB 3.26Å; N928-L932 WeakPolarHBondContact O-CB 3.39Å; N928-L932 WeakPolarHBondContact O-CD1 3.4Å; N928-L932 WeakPolarHBondContact O-CG 3.45Å; N928-L932 PolarHBondContact O-N 3.08Å; Q929-L932 CarbonylContact O-C 3.55Å; Q929-L932 PolarHBondContact O-N 3.31Å; L932-N936 WeakPolarHBondContact O-CA 3.13Å; L932-N936 WeakPolarHBondContact O-CB 3.48Å; L932-N936 PolarHBondContact O-N 3.19Å; L932-N936 PolarHBondContact O-ND2 2.65Å; L932-N936 PolarHBondContact O-OD1 2.71Å |
| 933 | C | 52.7 | Low | 54.9 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.3 | -26.1 | 170.5 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | Q929 N937 | Q929-C933 WeakPolarHBondContact O-CA 3.5Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 3.01Å; Q929-C933 PolarHBondContact O-SG 3.4Å; C933-N937 WeakPolarHBondContact O-CB 3.46Å; C933-N937 PolarHBondContact O-N 3.48Å; C933-N937 PolarHBondContact O-ND2 3.35Å |
| 934 | R | 51.2 | Low | 53.4 | Low | 173 Ų | 173 | 91.3 Ų | 91.3 | 65% | 0.653 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -58.9 | 160.8 | -78.9 | 168.8 | -161.4 | -119.1 | 6.1 | 109.7 | A930 N936 N937 D938 | A930-R934 WeakPolarHBondContact O-CB 3.41Å; A930-R934 WeakPolarHBondContact O-CD 3.43Å; A930-R934 WeakPolarHBondContact O-CG 3.47Å; A930-R934 PolarHBondContact O-N 3.18Å; R934-N936 PolarHBondContact O-N 2.89Å; R934-N936 VanDerWaalsContact O-N 3.11Å; R934-N937 CarbonylContact O-C 3.55Å; R934-N937 PolarHBondContact O-N 3.23Å; R934-D938 WeakPolarHBondContact O-CA 3.39Å; R934-D938 WeakPolarHBondContact O-CB 3.38Å; R934-D938 PolarHBondContact O-N 3.43Å; R934-D938 VanDerWaalsContact O-OD2 3.11Å |
| 935 | M | 51.9 | Low | 51.4 | Low | 121 Ų | 121 | 92.4 Ų | 92.4 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.8 | -31.5 | 178.1 | -72 | 169.1 | 64.4 | 0 | 0 | 113.8 | R931 S939 | R931-M935 WeakPolarHBondContact O-CB 3.32Å; R931-M935 WeakPolarHBondContact O-CG 3.29Å; R931-M935 PolarHBondContact O-N 3.44Å; M935-S939 VanDerWaalsContact O-CB 3.22Å; M935-S939 WeakPolarHBondContact O-CB 3.46Å; M935-S939 PolarHBondContact O-N 2.9Å; M935-S939 PolarHBondContact O-OG 3.4Å |
| 936 | N | 52.1 | Low | 49.6 | Very low | 90 Ų | 90 | 95 Ų | 95 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.5 | -44.9 | 172.1 | -72 | -10.6 | 0 | 0 | 0 | 111.5 | L932 R934 D938 S939 V940 | L932-N936 WeakPolarHBondContact O-CA 3.13Å; L932-N936 WeakPolarHBondContact O-CB 3.48Å; L932-N936 PolarHBondContact O-N 3.19Å; L932-N936 PolarHBondContact O-ND2 2.65Å; L932-N936 PolarHBondContact O-OD1 2.71Å; R934-N936 PolarHBondContact O-N 2.89Å; R934-N936 VanDerWaalsContact O-N 3.11Å; N936-D938 VanDerWaalsContact C-N 3.27Å; N936-D938 PolarHBondContact O-N 3.32Å; N936-S939 WeakPolarHBondContact CA-OG 3.5Å; N936-S939 CarbonylContact O-C 3.48Å; N936-S939 PolarHBondContact O-N 2.99Å; N936-S939 PolarHBondContact O-OG 2.93Å; N936-V940 WeakPolarHBondContact O-CB 2.98Å; N936-V940 VanDerWaalsContact O-CG2 3.27Å; N936-V940 WeakPolarHBondContact O-CG2 3.43Å; N936-V940 PolarHBondContact O-N 3.12Å |
| 937 | N | 47.5 | Very low | 47.8 | Very low | 96 Ų | 96 | 100.3 Ų | 100.3 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -28.4 | 174.7 | -71.2 | -9.6 | 0 | 0 | 0 | 112.5 | C933 R934 V940 N941 | C933-N937 WeakPolarHBondContact O-CB 3.46Å; C933-N937 PolarHBondContact O-N 3.48Å; C933-N937 PolarHBondContact O-ND2 3.35Å; R934-N937 CarbonylContact O-C 3.55Å; R934-N937 PolarHBondContact O-N 3.23Å; N937-V940 CarbonylContact O-C 3.48Å; N937-V940 PolarHBondContact O-N 3.35Å; N937-N941 WeakPolarHBondContact O-CB 3.48Å; N937-N941 PolarHBondContact O-N 3.29Å; N937-N941 PolarHBondContact O-ND2 3.17Å |
| 938 | D | 45.5 | Very low | 46.2 | Very low | 78 Ų | 78 | 102.3 Ų | 102.3 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76 | -37.7 | 173.2 | -62.9 | -26.9 | 0 | 0 | 0 | 108.6 | R934 N936 V940 N941 D942 | R934-D938 WeakPolarHBondContact O-CA 3.39Å; R934-D938 WeakPolarHBondContact O-CB 3.38Å; R934-D938 PolarHBondContact O-N 3.43Å; R934-D938 VanDerWaalsContact O-OD2 3.11Å; N936-D938 VanDerWaalsContact C-N 3.27Å; N936-D938 PolarHBondContact O-N 3.32Å; D938-V940 VanDerWaalsContact C-N 3.28Å; D938-V940 PolarHBondContact O-N 2.92Å; D938-N941 PolarHBondContact O-N 3.37Å; D938-D942 WeakPolarHBondContact O-CB 3.38Å; D938-D942 PolarHBondContact O-N 2.77Å |
| 939 | S | 48.2 | Very low | 44.4 | Very low | 65 Ų | 65 | 109.4 Ų | 109.4 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -32 | 167.3 | 80.6 | 0 | 0 | 0 | 0 | 112.8 | M935 N936 A943 | M935-S939 VanDerWaalsContact O-CB 3.22Å; M935-S939 WeakPolarHBondContact O-CB 3.46Å; M935-S939 PolarHBondContact O-N 2.9Å; M935-S939 PolarHBondContact O-OG 3.4Å; N936-S939 WeakPolarHBondContact CA-OG 3.5Å; N936-S939 CarbonylContact O-C 3.48Å; N936-S939 PolarHBondContact O-N 2.99Å; N936-S939 PolarHBondContact O-OG 2.93Å; S939-A943 WeakPolarHBondContact O-CB 3.36Å; S939-A943 PolarHBondContact O-N 3.23Å |
| 940 | V | 46.6 | Very low | 42.5 | Very low | 89 Ų | 89 | 108.8 Ų | 108.8 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.3 | -33.3 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | N936 N937 D938 A944 | N936-V940 WeakPolarHBondContact O-CB 2.98Å; N936-V940 VanDerWaalsContact O-CG2 3.27Å; N936-V940 WeakPolarHBondContact O-CG2 3.43Å; N936-V940 PolarHBondContact O-N 3.12Å; N937-V940 CarbonylContact O-C 3.48Å; N937-V940 PolarHBondContact O-N 3.35Å; D938-V940 VanDerWaalsContact C-N 3.28Å; D938-V940 PolarHBondContact O-N 2.92Å; V940-A944 VanDerWaalsContact O-CB 3.29Å; V940-A944 WeakPolarHBondContact O-CB 3.34Å; V940-A944 PolarHBondContact O-N 3.49Å |
| 941 | N | 37 | Very low | 41 | Very low | 81 Ų | 81 | 113.1 Ų | 113.1 | 43% | 0.433 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -79.5 | -35 | 176.6 | -74.1 | -31.1 | 0 | 0 | 0 | 112.5 | N937 D938 A944 N945 | N937-N941 WeakPolarHBondContact O-CB 3.48Å; N937-N941 PolarHBondContact O-N 3.29Å; N937-N941 PolarHBondContact O-ND2 3.17Å; D938-N941 PolarHBondContact O-N 3.37Å; N941-A944 WeakPolarHBondContact O-CB 3.44Å; N941-A944 PolarHBondContact O-N 3.46Å; N941-N945 WeakPolarHBondContact O-CB 3.28Å; N941-N945 PolarHBondContact O-N 3.45Å; N941-N945 PolarHBondContact O-ND2 2.87Å |
| 942 | D | 40.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.3 | -35.7 | 171.4 | -74 | -17.2 | 0 | 0 | 0 | 110.3 | D938 A944 N945 F946 | D938-D942 WeakPolarHBondContact O-CB 3.38Å; D938-D942 PolarHBondContact O-N 2.77Å; D942-A944 VanDerWaalsContact C-N 3.26Å; D942-A944 PolarHBondContact O-N 2.72Å; D942-N945 PolarHBondContact O-N 2.72Å; D942-F946 PolarHBondContact O-N 2.73Å |
| 943 | A | 43.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 112 Ų | 112 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65 | -27.9 | 166 | 0 | 0 | 0 | 0 | 0 | 113 | S939 | S939-A943 WeakPolarHBondContact O-CB 3.36Å; S939-A943 PolarHBondContact O-N 3.23Å |
| 944 | A | 35.5 | Very low | 36.9 | Very low | 60 Ų | 60 | 116.2 Ų | 116.2 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -80.2 | -27.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V940 N941 D942 | V940-A944 VanDerWaalsContact O-CB 3.29Å; V940-A944 WeakPolarHBondContact O-CB 3.34Å; V940-A944 PolarHBondContact O-N 3.49Å; N941-A944 WeakPolarHBondContact O-CB 3.44Å; N941-A944 PolarHBondContact O-N 3.46Å; D942-A944 VanDerWaalsContact C-N 3.26Å; D942-A944 PolarHBondContact O-N 2.72Å |
| 945 | N | 30.4 | Very low | 35.8 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -99.4 | -8.1 | -171.7 | -78.2 | -63.8 | 0 | 0 | 0 | 115.8 | N941 D942 | N941-N945 WeakPolarHBondContact O-CB 3.28Å; N941-N945 PolarHBondContact O-N 3.45Å; N941-N945 PolarHBondContact O-ND2 2.87Å; D942-N945 PolarHBondContact O-N 2.72Å |
| 946 | F | 29.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 113.9 Ų | 113.9 | 75% | 0.746 | 65% | 0.646 | S | S | * | * | trans | -100.9 | 71.7 | 168 | -85.1 | -81.6 | 0 | 0 | 0 | 112.8 | D942 P948 | D942-F946 PolarHBondContact O-N 2.73Å; F946-P948 WeakPolarHBondContact O-CD 3.44Å | ||
| 947 | M | 25.7 | Very low | 33.6 | Very low | 164 Ų | 164 | 118.1 Ų | 118.1 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | trans | -108.6 | 64.1 | 167.9 | -83.9 | -79.5 | 106.3 | 0 | 0 | 113.3 | ||||
| 948 | P | 31.6 | Very low | 32.5 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 66% | 0.662 | 68% | 0.678 | S | S | * | * | trans | -75.7 | 145.2 | 166.1 | 33.8 | -33.5 | 0 | 0 | 0 | 111.1 | F946 A950 | F946-P948 WeakPolarHBondContact O-CD 3.44Å; P948-A950 PolarHBondContact O-N 2.96Å | ||
| 949 | K | 24.7 | Very low | 31.8 | Very low | 216 Ų | 216 | 123.4 Ų | 123.4 | 94% | 0.939 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -65.5 | 111.3 | -170.1 | -67.8 | 172.4 | 177.2 | 172.8 | 0 | 114.4 | ||
| 950 | A | 27.4 | Very low | 30.8 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | -148.1 | 138.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P948 | P948-A950 PolarHBondContact O-N 2.96Š| ||
| 951 | T | 28.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -131.1 | 131.4 | -169 | 51 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 952 | S | 27.4 | Very low | 29.4 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 62.5 | 124.3 | 150.2 | -164.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 953 | E | 24 | Very low | 28.6 | Very low | 138 Ų | 138 | 143 Ų | 143 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -172.8 | 172.3 | 0 | -130.1 | 159.8 | -102.4 | 0 | 0 | 111.8 | ||||
| 954 | K | 25.8 | Very low | 27.9 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 77.1 | 141.2 | 158.6 | -68.5 | 148.2 | -174.3 | 151 | 0 | 118.8 | ||||
| 955 | N | 29 | Very low | 27.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 137 | 170.6 | -47.5 | -29.1 | 0 | 0 | 0 | 116.2 | ||||
| 956 | A | 27.2 | Very low | 27.3 | Very low | 86 Ų | 86 | 149.7 Ų | 149.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -164.6 | 159.3 | -21.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 957 | M | 30.1 | Very low | 27.1 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | 55.1 | 96.2 | 169.1 | -95.3 | 61.5 | -177.4 | 0 | 0 | 117.8 | ||||
| 958 | D | 25.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -55.3 | 140.5 | 142.8 | -87.6 | -68.6 | 0 | 0 | 0 | 111.3 | ||||
| 959 | N | 29.6 | Very low | 27 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | -169.7 | 106.3 | 114.5 | -105.3 | -65.2 | 0 | 0 | 0 | 114.1 | |||||
| 960 | R | 28.2 | Very low | 27.1 | Very low | 225 Ų | 225 | 143.5 Ų | 143.5 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | trans | 43.1 | 79.2 | 136.6 | -60.6 | -179.6 | -178.8 | -117.1 | -5.8 | 117.2 | ||||
| 961 | R | 24.2 | Very low | 27.5 | Very low | 252 Ų | 252 | 143.4 Ų | 143.4 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 109.4 | 156 | -153.4 | 176.6 | -160.4 | 165.6 | 5.7 | 108.8 | ||||
| 962 | S | 28.9 | Very low | 27.3 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 145.1 | -174.9 | -50.1 | 0 | 0 | 0 | 0 | 113.2 | P964 | S962-P964 VanDerWaalsContact O-CD 3.31Å; S962-P964 WeakPolarHBondContact O-CD 3.18Å | ||
| 963 | L | 23.5 | Very low | 27.3 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 115 | 157.9 | -81.9 | 157.2 | 0 | 0 | 0 | 108.4 | ||||
| 964 | P | 30.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 148 Ų | 148 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -89.5 | 147 | 178.7 | 3.7 | 16.3 | 0 | 0 | 0 | 111.2 | S962 | S962-P964 VanDerWaalsContact O-CD 3.31Å; S962-P964 WeakPolarHBondContact O-CD 3.18Å | ||
| 965 | S | 27 | Very low | 27.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -57.6 | 137.8 | 175.5 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 966 | L | 26 | Very low | 27.5 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -120.9 | 109.2 | 166.2 | -105.4 | 165.9 | 0 | 0 | 0 | 108.1 | ||||
| 967 | D | 26.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 135.5 | -178.5 | -89 | -57.2 | 0 | 0 | 0 | 112.4 | S969 | D967-S969 VanDerWaalsContact C-N 3.28Å; D967-S969 WeakPolarHBondContact CB-OG 3.05Å; D967-S969 PolarHBondContact O-N 3.14Å; D967-S969 VanDerWaalsContact O-N 3.1Å | ||
| 968 | I | 29.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 145 Ų | 145 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 77.3 | 166.8 | -57.9 | -179.9 | 0 | 0 | 0 | 107.8 | ||||
| 969 | S | 24.5 | Very low | 27.4 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -127.4 | 69.4 | -173.2 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | D967 | D967-S969 VanDerWaalsContact C-N 3.28Å; D967-S969 WeakPolarHBondContact CB-OG 3.05Å; D967-S969 PolarHBondContact O-N 3.14Å; D967-S969 VanDerWaalsContact O-N 3.1Å | ||
| 970 | S | 26.2 | Very low | 27.1 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -177.8 | 150.3 | 138.3 | 39.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 971 | P | 36.8 | Very low | 27.2 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 62% | 0.623 | 80% | 0.798 | S | S | * | * | trans | -92.7 | 157.1 | -172.5 | 36 | -35.2 | 0 | 0 | 0 | 113.6 | T973 | P971-T973 HydrophobicContact CB-CG2 4.15Å; P971-T973 HydrophobicContact CG-CG2 3.85Å; P971-T973 PolarHBondContact O-N 2.73Å | ||
| 972 | Y | 24.6 | Very low | 27.4 | Very low | 241 Ų | 241 | 135.9 Ų | 135.9 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | trans | -69 | 75.4 | 160.5 | -79.3 | -89.8 | 0 | 0 | 0 | 110.6 | ||||
| 973 | T | 26.4 | Very low | 27.2 | Very low | 102 Ų | 102 | 137 Ų | 137 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | trans | -105.8 | 73.4 | 169.9 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | P971 T975 | P971-T973 HydrophobicContact CB-CG2 4.15Å; P971-T973 HydrophobicContact CG-CG2 3.85Å; P971-T973 PolarHBondContact O-N 2.73Å; T973-T975 VanDerWaalsContact C-N 3.32Å; T973-T975 PolarHBondContact O-N 3.35Å | ||
| 974 | S | 24.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 84.6 | 170.9 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 975 | T | 26 | Very low | 27.3 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -132.3 | 118.1 | 168.2 | -23.7 | 0 | 0 | 0 | 0 | 108 | T973 | T973-T975 VanDerWaalsContact C-N 3.32Å; T973-T975 PolarHBondContact O-N 3.35Å | ||
| 976 | P | 33.5 | Very low | 27.4 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -90.6 | 137.9 | -161.5 | 33 | -35.3 | 0 | 0 | 0 | 114.6 | ||||
| 977 | G | 24.6 | Very low | 27.4 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 87.4 | 107.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 978 | Q | 28.8 | Very low | 27.5 | Very low | 196 Ų | 196 | 131.2 Ų | 131.2 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 154.5 | 136.2 | -112.1 | 168.4 | 13.6 | 0 | 0 | 110.7 | ||||
| 979 | N | 26.6 | Very low | 27.3 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -74.7 | 138.6 | -166.1 | -61.1 | -35.6 | 0 | 0 | 0 | 111.5 | ||||
| 980 | S | 23.3 | Very low | 27.7 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 79 | 166.6 | 70 | -154.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 981 | W | 28.9 | Very low | 27.9 | Very low | 216 Ų | 216 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 79.2 | 87.7 | -174.6 | -52.8 | 96.3 | 0 | 0 | 0 | 114.7 | ||||
| 982 | T | 28.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | 79.5 | 103 | 87.3 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 983 | T | 25.7 | Very low | 28.5 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 82.3 | 111.3 | 77.5 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 984 | L | 28.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -174.1 | 123.9 | 133.2 | -103.4 | 164.5 | 0 | 0 | 0 | 113.1 | ||||
| 985 | D | 27.5 | Very low | 31.4 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 39.8 | 145.2 | 147.5 | -62.2 | 1.1 | 0 | 0 | 0 | 124.7 | ||||
| 986 | A | 28.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -103.7 | 158.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 987 | S | 26.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -176.8 | 159.3 | 134.5 | 43.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 988 | G | 27.1 | Very low | 39.2 | Very low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | 88.4 | 77.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 989 | T | 27 | Very low | 42 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | trans | 31.5 | 104.7 | 138.1 | 51.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 990 | S | 31 | Very low | 44.8 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | -168.8 | 128.8 | 126.9 | -84 | 0 | 0 | 0 | 0 | 111.4 | T992 | S990-T992 PolarHBondContact O-N 2.91Š| |||
| 991 | Q | 30.7 | Very low | 47.7 | Very low | 206 Ų | 206 | 108.3 Ų | 108.3 | 96% | 0.963 | 63% | 0.628 | S | S | * | * | trans | -84.1 | 86 | 175.4 | -72.2 | -177 | -6.1 | 0 | 0 | 110.8 | ||||
| 992 | T | 36.7 | Very low | 50.4 | Low | 113 Ų | 113 | 99.7 Ų | 99.7 | 69% | 0.693 | 60% | 0.599 | S | S | * | * | trans | -99.9 | 107.6 | 163.4 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | S990 T994 | S990-T992 PolarHBondContact O-N 2.91Å; T992-T994 PolarHBondContact O-N 2.92Å | ||
| 993 | S | 38 | Very low | 53.3 | Low | 104 Ų | 104 | 96.7 Ų | 96.7 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -67.6 | 101.5 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | L995 | S993-L995 PolarHBondContact O-N 2.82Š| ||
| 994 | T | 45.3 | Very low | 56.3 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | trans | -69 | 90.6 | -178.7 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | T992 T996 V1045 | T992-T994 PolarHBondContact O-N 2.92Å; T994-T996 PolarHBondContact O-N 3.39Å; T994-V1045 HydrophobicContact CG2-CG2 4.41Å | ||
| 995 | L | 67 | Low | 59 | Low | 93 Ų | 93 | 90.9 Ų | 90.9 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 116.8 | 175.8 | -69.1 | 170.4 | 0 | 0 | 0 | 110 | S993 C1046 | S993-L995 PolarHBondContact O-N 2.82Å; L995-C1046 VanDerWaalsContact O-CB 3.22Å; L995-C1046 WeakPolarHBondContact O-CB 3.38Å; L995-C1046 PolarHBondContact O-N 3.37Å |
| 996 | T | 76.8 | Confident | 61.8 | Low | 88 Ų | 88 | 88.7 Ų | 88.7 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 145.5 | 171.8 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | T994 K998 I1044 | T994-T996 PolarHBondContact O-N 3.39Å; T996-K998 PolarHBondContact O-N 3.12Å; T996-I1044 HydrophobicContact CG2-CG2 4.12Å |
| 997 | H | 83.7 | Confident | 64.7 | Low | 29 Ų | 29 | 84.7 Ų | 84.7 | 13% | 0.134 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 122.8 | 179.9 | -72.2 | -91.9 | 0 | 0 | 0 | 113.8 | F999 C1027 C1030 H1043 C1046 | H997-F999 HydrophobicContact CB-CD2 3.84Å; H997-F999 HydrophobicContact CB-CE2 3.36Å; H997-F999 HydrophobicContact CB-CZ 3.85Å; H997-F999 AromaticContact CG-CE2 3.99Å; H997-F999 PolarHBondContact O-N 2.78Å; H997-C1027 HydrophobicContact CB-CB 4.49Å; H997-C1027 PolarHBondContact ND1-SG 3.34Å; H997-C1030 PolarHBondContact CE1-SG 3.24Å; H997-C1030 PolarHBondContact ND1-SG 3.2Å; H997-H1043 PolarHBondContact CD2-O 3.42Å; H997-H1043 PolarHBondContact NE2-O 3.09Å; H997-H1043 VanDerWaalsContact NE2-O 3.17Å; H997-C1046 WeakPolarHBondContact NE2-CA 3.44Å |
| 998 | K | 86.6 | Confident | 67.7 | Low | 108 Ų | 108 | 79.5 Ų | 79.5 | 47% | 0.47 | 46% | 0.458 | S | S | . | . | trans | -87.5 | 92.6 | 172.1 | -59.3 | 177.2 | -163.4 | 129.9 | 0 | 111 | T996 C1027 Q1028 D1029 | T996-K998 PolarHBondContact O-N 3.12Å; K998-C1027 CarbonylContact O-C 3.59Å; K998-C1027 WeakPolarHBondContact O-CA 3.46Å; K998-Q1028 HydrophobicContact CB-CB 4.37Å; K998-Q1028 PolarHBondContact O-N 2.74Å; K998-D1029 WeakPolarHBondContact CB-OD2 3.31Å; K998-D1029 WeakPolarHBondContact CG-OD2 3.03Å; K998-D1029 PolarHBondContact N-OD2 2.91Å; K998-D1029 IonicContact NZ-OD1 3.03Å; K998-D1029 PolarHBondContact NZ-OD1 2.94Å | ||
| 999 | F | 86.9 | Confident | 70.7 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 21% | 0.211 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.3 | 179.7 | -75.9 | -69.2 | 0 | 0 | 0 | 113.3 | H997 V1025 Q1026 C1027 L1032 R1039 V1042 | H997-F999 HydrophobicContact CB-CD2 3.84Å; H997-F999 HydrophobicContact CB-CE2 3.36Å; H997-F999 HydrophobicContact CB-CZ 3.85Å; H997-F999 AromaticContact CG-CE2 3.99Å; H997-F999 PolarHBondContact O-N 2.78Å; F999-V1025 HydrophobicContact CB-CB 4.09Å; F999-V1025 HydrophobicContact CB-CG2 4.19Å; F999-V1025 HydrophobicContact CD1-CB 3.97Å; F999-V1025 HydrophobicContact CD1-CG2 3.57Å; F999-V1025 HydrophobicContact CE1-CG2 4.19Å; F999-V1025 HydrophobicContact CG-CB 4.35Å; F999-V1025 HydrophobicContact CG-CG2 3.99Å; F999-Q1026 WeakPolarHBondContact CA-O 3.38Å; F999-C1027 HydrophobicContact CD1-CB 4.11Å; F999-C1027 HydrophobicContact CE1-CB 3.8Å; F999-C1027 HydrophobicContact CZ-CB 4.3Å; F999-L1032 HydrophobicContact CE1-CD2 4.12Å; F999-L1032 HydrophobicContact CZ-CD2 4.15Å; F999-R1039 HydrophobicContact CD2-CB 4.05Å; F999-R1039 HydrophobicContact CE2-CB 4.09Å; F999-R1039 HydrophobicContact CG-CB 4.44Å; F999-V1042 HydrophobicContact CE2-CG2 4.49Å; F999-V1042 HydrophobicContact CZ-CB 4.27Å; F999-V1042 HydrophobicContact CZ-CG1 4.19Å; F999-V1042 HydrophobicContact CZ-CG2 3.94Å |
| 1000 | T | 85.4 | Confident | 73.8 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.9 | 165.1 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | V1025 Q1026 Q1028 | T1000-V1025 CarbonylContact O-C 3.57Å; T1000-V1025 VanDerWaalsContact O-CA 3.22Å; T1000-V1025 WeakPolarHBondContact O-CA 3.43Å; T1000-Q1026 PolarHBondContact N-O 3.34Å; T1000-Q1026 PolarHBondContact O-N 3.48Å; T1000-Q1028 HydrophobicContact CG2-CG 3.98Å |
| 1001 | F | 85.6 | Confident | 76.5 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139.5 | 171 | -78.7 | -91.9 | 0 | 0 | 0 | 110.6 | W1022 G1024 V1025 H1036 | F1001-W1022 HydrophobicContact CB-CE3 4.2Å; F1001-G1024 WeakPolarHBondContact CA-O 3.4Å; F1001-V1025 HydrophobicContact CD1-CG1 4Å; F1001-V1025 HydrophobicContact CD2-CG1 4.24Å; F1001-V1025 HydrophobicContact CE1-CG1 4.16Å; F1001-V1025 HydrophobicContact CE2-CG1 4.36Å; F1001-V1025 HydrophobicContact CG-CG1 4.07Å; F1001-V1025 HydrophobicContact CZ-CG1 4.36Å; F1001-H1036 HydrophobicContact CE1-CB 4.24Å; F1001-H1036 AromaticContact CE1-ND1 3.6Å; F1001-H1036 AromaticContact CE2-CE1 3.86Å; F1001-H1036 AromaticContact CE2-ND1 3.72Å; F1001-H1036 HydrophobicContact CZ-CB 4.46Å; F1001-H1036 AromaticContact CZ-CE1 3.43Å; F1001-H1036 VanDerWaalsContact CZ-CE1 3.43Å; F1001-H1036 WeakPolarHBondContact CZ-CE1 3.39Å; F1001-H1036 AromaticContact CZ-CG 3.81Å; F1001-H1036 AromaticContact CZ-ND1 3.03Å; F1001-H1036 WeakPolarHBondContact CZ-ND1 3.33Å |
| 1002 | V | 86.3 | Confident | 79.2 | Confident | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.6 | -177.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | F1004 W1022 Q1023 G1024 Q1026 | V1002-F1004 HydrophobicContact CB-CE1 4.09Å; V1002-F1004 HydrophobicContact CB-CZ 4.07Å; V1002-F1004 HydrophobicContact CG1-CD1 3.92Å; V1002-F1004 HydrophobicContact CG1-CE1 3.64Å; V1002-F1004 HydrophobicContact CG1-CZ 4.14Å; V1002-W1022 CarbonylContact O-C 3.47Å; V1002-W1022 WeakPolarHBondContact O-CA 3.36Å; V1002-Q1023 PolarHBondContact O-N 3.22Å; V1002-G1024 PolarHBondContact N-O 3.49Å; V1002-Q1026 HydrophobicContact CB-CB 4.32Å; V1002-Q1026 HydrophobicContact CG2-CB 3.63Å |
| 1003 | T | 88 | Confident | 81.5 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | trans | -89.2 | 113.6 | 166.2 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | L1005 K1021 W1022 Q1023 | T1003-L1005 HydrophobicContact CG2-CD2 4.45Å; T1003-K1021 HydrophobicContact CG2-CB 4.43Å; T1003-W1022 PolarHBondContact OG1-N 3.27Å; T1003-Q1023 VanDerWaalsContact CA-OE1 3.3Å | ||
| 1004 | F | 89.4 | Confident | 83.7 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | trans | -85.1 | 127.6 | 173.5 | -56.1 | -64.3 | 0 | 0 | 0 | 109.9 | V1002 T1008 I1017 Q1023 K1033 N1145 | V1002-F1004 HydrophobicContact CB-CE1 4.09Å; V1002-F1004 HydrophobicContact CB-CZ 4.07Å; V1002-F1004 HydrophobicContact CG1-CD1 3.92Å; V1002-F1004 HydrophobicContact CG1-CE1 3.64Å; V1002-F1004 HydrophobicContact CG1-CZ 4.14Å; F1004-T1008 HydrophobicContact CD1-CG2 4.2Å; F1004-T1008 HydrophobicContact CD2-CG2 4.48Å; F1004-T1008 HydrophobicContact CE1-CG2 4.39Å; F1004-T1008 HydrophobicContact CG-CG2 4.25Å; F1004-I1017 HydrophobicContact CD2-CG2 4.05Å; F1004-I1017 HydrophobicContact CE2-CD1 4.06Å; F1004-I1017 HydrophobicContact CE2-CG2 4.01Å; F1004-Q1023 HydrophobicContact CD2-CB 4.4Å; F1004-Q1023 PolarHBondContact O-NE2 2.88Å; F1004-Q1023 VanDerWaalsContact O-NE2 3.09Å; F1004-K1033 HydrophobicContact CE1-CB 4.37Å; F1004-K1033 HydrophobicContact CE1-CD 3.77Å; F1004-K1033 HydrophobicContact CE1-CG 3.8Å; F1004-K1033 HydrophobicContact CZ-CB 4.06Å; F1004-K1033 HydrophobicContact CZ-CD 4.33Å; F1004-K1033 HydrophobicContact CZ-CG 3.92Å; F1004-N1145 VanDerWaalsContact O-CB 3.3Å; F1004-N1145 WeakPolarHBondContact O-CB 3.5Å; F1004-N1145 PolarHBondContact O-ND2 2.96Å | ||
| 1005 | L | 86 | Confident | 85.7 | Confident | 141 Ų | 141 | 54.4 Ų | 54.4 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -86.4 | -10.8 | -179.3 | -60.7 | 178.8 | 0 | 0 | 0 | 113.7 | T1003 S1144 N1145 | T1003-L1005 HydrophobicContact CG2-CD2 4.45Å; L1005-S1144 CarbonylContact O-C 3.48Å; L1005-N1145 PolarHBondContact O-N 3.05Å |
| 1006 | Q | 86 | Confident | 86.8 | Confident | 107 Ų | 107 | 50.1 Ų | 50.1 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -135.2 | 154.9 | 179.5 | 67.2 | -179.8 | 22.9 | 0 | 0 | 110.7 | T1008 F1142 N1145 | Q1006-T1008 PolarHBondContact O-N 2.79Å; Q1006-T1008 VanDerWaalsContact O-N 3.1Å; Q1006-T1008 PolarHBondContact O-OG1 3.08Å; Q1006-F1142 HydrophobicContact CB-CB 4.32Å; Q1006-F1142 HydrophobicContact CB-CD2 3.61Å; Q1006-F1142 HydrophobicContact CB-CE2 4.27Å; Q1006-F1142 HydrophobicContact CB-CG 4.19Å; Q1006-N1145 VanDerWaalsContact C-OD1 3.28Å; Q1006-N1145 PolarHBondContact O-OD1 3.28Å |
| 1007 | P | 88.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | trans | -50.7 | 118.3 | 174.7 | 16.6 | -30.7 | 0 | 0 | 0 | 111.3 | L1016 F1086 Y1095 F1142 N1145 | P1007-L1016 HydrophobicContact CB-CD1 3.85Å; P1007-F1086 HydrophobicContact CB-CD2 4.33Å; P1007-F1086 HydrophobicContact CB-CE1 4.42Å; P1007-F1086 HydrophobicContact CB-CE2 3.64Å; P1007-F1086 HydrophobicContact CB-CZ 3.69Å; P1007-F1086 HydrophobicContact CG-CE2 3.54Å; P1007-F1086 HydrophobicContact CG-CZ 3.64Å; P1007-Y1095 HydrophobicContact CB-CD2 4.33Å; P1007-Y1095 HydrophobicContact CB-CE1 4.14Å; P1007-Y1095 HydrophobicContact CB-CE2 3.88Å; P1007-Y1095 HydrophobicContact CG-CD1 4.06Å; P1007-Y1095 HydrophobicContact CG-CD2 4.15Å; P1007-Y1095 HydrophobicContact CG-CE1 4.09Å; P1007-Y1095 HydrophobicContact CG-CE2 4.18Å; P1007-Y1095 HydrophobicContact CG-CG 4.1Å; P1007-F1142 HydrophobicContact CG-CD1 3.87Å; P1007-F1142 HydrophobicContact CG-CD2 4.34Å; P1007-F1142 HydrophobicContact CG-CE1 3.56Å; P1007-F1142 HydrophobicContact CG-CE2 4.07Å; P1007-F1142 HydrophobicContact CG-CG 4.24Å; P1007-F1142 HydrophobicContact CG-CZ 3.67Å; P1007-N1145 VanDerWaalsContact CA-OD1 3.29Å; P1007-N1145 WeakPolarHBondContact CA-OD1 3.43Å; P1007-N1145 VanDerWaalsContact N-OD1 3.14Å | ||
| 1008 | T | 90.1 | Very high | 87.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | trans | -126.7 | 123.7 | -172 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | F1004 Q1006 I1017 K1033 | F1004-T1008 HydrophobicContact CD1-CG2 4.2Å; F1004-T1008 HydrophobicContact CD2-CG2 4.48Å; F1004-T1008 HydrophobicContact CE1-CG2 4.39Å; F1004-T1008 HydrophobicContact CG-CG2 4.25Å; Q1006-T1008 PolarHBondContact O-N 2.79Å; Q1006-T1008 VanDerWaalsContact O-N 3.1Å; Q1006-T1008 PolarHBondContact O-OG1 3.08Å; T1008-I1017 HydrophobicContact CG2-CD1 4.16Å; T1008-I1017 VanDerWaalsContact O-CB 3.3Å; T1008-I1017 WeakPolarHBondContact O-CB 3.39Å; T1008-I1017 VanDerWaalsContact O-CG1 3.31Å; T1008-I1017 WeakPolarHBondContact O-CG1 3.08Å; T1008-I1017 PolarHBondContact O-N 3.37Å; T1008-K1033 HydrophobicContact CG2-CB 4.37Å; T1008-K1033 HydrophobicContact CG2-CD 3.99Å | ||
| 1009 | K | 89.9 | Confident | 87.8 | Confident | 59 Ų | 59 | 40.6 Ų | 40.6 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -78.7 | 150.5 | 177 | -73 | -179.5 | 172 | 168.7 | 0 | 111.9 | G1014 A1062 E1065 | K1009-G1014 WeakPolarHBondContact CB-O 3.47Å; K1009-G1014 WeakPolarHBondContact CG-O 3.12Å; K1009-A1062 WeakPolarHBondContact CE-O 3.14Å; K1009-A1062 PolarHBondContact NZ-O 3.11Å; K1009-E1065 VanDerWaalsContact CE-OE2 3.22Å; K1009-E1065 WeakPolarHBondContact CE-OE2 3.37Å; K1009-E1065 IonicContact NZ-OE2 2.79Å; K1009-E1065 PolarHBondContact NZ-OE2 2.77Å |
| 1010 | C | 91.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | trans | -81.6 | 127.9 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | V1012 C1013 G1014 S1015 I1017 C1034 H1035 | C1010-V1012 PolarHBondContact O-N 2.99Å; C1010-V1012 PolarHBondContact SG-N 2.69Å; C1010-V1012 VanDerWaalsContact SG-N 3.45Å; C1010-C1013 VanDerWaalsContact SG-SG 3.63Å; C1010-G1014 WeakPolarHBondContact O-CA 3.39Å; C1010-G1014 PolarHBondContact O-N 3.47Å; C1010-S1015 WeakPolarHBondContact CB-O 3.44Å; C1010-S1015 PolarHBondContact N-O 3.35Å; C1010-I1017 HydrophobicContact CB-CD1 4.24Å; C1010-I1017 HydrophobicContact CB-CG1 3.97Å; C1010-C1034 VanDerWaalsContact SG-CA 3.53Å; C1010-C1034 WeakPolarHBondContact SG-CB 3.26Å; C1010-H1035 VanDerWaalsContact CB-CE1 3.42Å; C1010-H1035 WeakPolarHBondContact CB-CE1 3.47Å; C1010-H1035 WeakPolarHBondContact CB-ND1 3.16Å | ||
| 1011 | H | 87.8 | Confident | 87.6 | Confident | 126 Ų | 126 | 40.3 Ų | 40.3 | 58% | 0.583 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5 | 179.9 | -67.8 | 66.8 | 0 | 0 | 0 | 114.4 | L1032 K1033 | H1011-L1032 HydrophobicContact CB-CD2 4.22Å; H1011-L1032 HydrophobicContact CB-CG 4.01Å; H1011-K1033 PolarHBondContact N-O 3.22Å; H1011-K1033 PolarHBondContact ND1-N 2.99Å; H1011-K1033 PolarHBondContact ND1-O 2.91Å |
| 1012 | V | 87.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 30% | 0.303 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -44.5 | -175.3 | -177 | 0 | 0 | 0 | 0 | 112 | C1010 C1034 C1038 V1042 | C1010-V1012 PolarHBondContact O-N 2.99Å; C1010-V1012 PolarHBondContact SG-N 2.69Å; C1010-V1012 VanDerWaalsContact SG-N 3.45Å; V1012-C1034 HydrophobicContact CG2-CB 3.96Å; V1012-C1038 HydrophobicContact CB-CB 4.03Å; V1012-C1038 HydrophobicContact CG1-CB 4.27Å; V1012-C1038 HydrophobicContact CG2-CB 4.19Å; V1012-V1042 HydrophobicContact CG2-CG2 3.52Å |
| 1013 | C | 85.3 | Confident | 87.4 | Confident | 38 Ų | 38 | 40 Ų | 40 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 1.7 | -177 | 63.6 | 0 | 0 | 0 | 0 | 114 | C1010 S1015 H1035 G1061 | C1010-C1013 VanDerWaalsContact SG-SG 3.63Å; C1013-S1015 PolarHBondContact O-N 3.43Å; C1013-H1035 VanDerWaalsContact SG-CE1 3.54Å; C1013-H1035 PolarHBondContact SG-ND1 3.2Å; C1013-G1061 WeakPolarHBondContact O-CA 2.93Å |
| 1014 | G | 84.6 | Confident | 87.4 | Confident | 21 Ų | 21 | 38 Ų | 38 | 22% | 0.216 | 19% | 0.193 | C | C | . | . | trans | 70.6 | -33.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1009 C1010 G1061 | K1009-G1014 WeakPolarHBondContact CB-O 3.47Å; K1009-G1014 WeakPolarHBondContact CG-O 3.12Å; C1010-G1014 WeakPolarHBondContact O-CA 3.39Å; C1010-G1014 PolarHBondContact O-N 3.47Å; G1014-G1061 CarbonylContact C-O 3.54Å; G1014-G1061 VanDerWaalsContact C-O 3.31Å; G1014-G1061 WeakPolarHBondContact CA-O 3.5Å | ||
| 1015 | S | 87.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | trans | -53.7 | 151.7 | 178.6 | -67.1 | 0 | 0 | 0 | 0 | 113.9 | C1010 C1013 H1035 S1088 D1089 | C1010-S1015 WeakPolarHBondContact CB-O 3.44Å; C1010-S1015 PolarHBondContact N-O 3.35Å; C1013-S1015 PolarHBondContact O-N 3.43Å; S1015-H1035 PolarHBondContact O-CE1 3.3Å; S1015-S1088 WeakPolarHBondContact CA-OG 3.38Å; S1015-S1088 WeakPolarHBondContact CB-OG 3.25Å; S1015-D1089 WeakPolarHBondContact CB-OD1 3.46Å; S1015-D1089 PolarHBondContact OG-OD1 2.92Å | ||
| 1016 | L | 90.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 138.6 | -173.6 | -163.8 | 60.7 | 0 | 0 | 0 | 112.3 | P1007 L1018 H1035 S1088 F1093 Y1095 | P1007-L1016 HydrophobicContact CB-CD1 3.85Å; L1016-L1018 HydrophobicContact CB-CD2 4.45Å; L1016-L1018 HydrophobicContact CB-CG 4.4Å; L1016-L1018 HydrophobicContact CD2-CD2 3.84Å; L1016-L1018 HydrophobicContact CG-CD2 4.09Å; L1016-L1018 HydrophobicContact CG-CG 4.46Å; L1016-L1018 PolarHBondContact O-N 3.45Å; L1016-H1035 PolarHBondContact O-NE2 2.87Å; L1016-S1088 PolarHBondContact N-OG 3.13Å; L1016-F1093 HydrophobicContact CD2-CB 4.34Å; L1016-F1093 HydrophobicContact CD2-CD1 4.4Å; L1016-F1093 HydrophobicContact CD2-CD2 4.42Å; L1016-F1093 HydrophobicContact CD2-CG 4.15Å; L1016-Y1095 HydrophobicContact CD2-CE2 4.11Å |
| 1017 | I | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -87.6 | 93.9 | 177.7 | -54.3 | 176.8 | 0 | 0 | 0 | 109 | F1004 T1008 C1010 Q1023 K1033 | F1004-I1017 HydrophobicContact CD2-CG2 4.05Å; F1004-I1017 HydrophobicContact CE2-CD1 4.06Å; F1004-I1017 HydrophobicContact CE2-CG2 4.01Å; T1008-I1017 HydrophobicContact CG2-CD1 4.16Å; T1008-I1017 VanDerWaalsContact O-CB 3.3Å; T1008-I1017 WeakPolarHBondContact O-CB 3.39Å; T1008-I1017 VanDerWaalsContact O-CG1 3.31Å; T1008-I1017 WeakPolarHBondContact O-CG1 3.08Å; T1008-I1017 PolarHBondContact O-N 3.37Å; C1010-I1017 HydrophobicContact CB-CD1 4.24Å; C1010-I1017 HydrophobicContact CB-CG1 3.97Å; I1017-Q1023 VanDerWaalsContact CG2-C 3.48Å; I1017-Q1023 HydrophobicContact CG2-CB 3.66Å; I1017-Q1023 WeakPolarHBondContact CG2-O 3.25Å; I1017-K1033 HydrophobicContact CD1-CB 4.47Å | ||
| 1018 | L | 89 | Confident | 88 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.131 | 16% | 0.161 | C | C | . | . | trans | -91.1 | 145.8 | -170.4 | -67 | 169.1 | 0 | 0 | 0 | 113.8 | L1016 F1093 M1471 P1473 W1507 | L1016-L1018 HydrophobicContact CB-CD2 4.45Å; L1016-L1018 HydrophobicContact CB-CG 4.4Å; L1016-L1018 HydrophobicContact CD2-CD2 3.84Å; L1016-L1018 HydrophobicContact CG-CD2 4.09Å; L1016-L1018 HydrophobicContact CG-CG 4.46Å; L1016-L1018 PolarHBondContact O-N 3.45Å; L1018-F1093 HydrophobicContact CD1-CE1 3.77Å; L1018-F1093 HydrophobicContact CD1-CZ 3.76Å; L1018-F1093 HydrophobicContact CD2-CD1 3.96Å; L1018-F1093 HydrophobicContact CD2-CE1 3.59Å; L1018-F1093 HydrophobicContact CD2-CZ 4.26Å; L1018-F1093 HydrophobicContact CG-CE1 4.34Å; L1018-M1471 VanDerWaalsContact O-CB 3.28Å; L1018-M1471 WeakPolarHBondContact O-CB 3.49Å; L1018-P1473 HydrophobicContact CB-CB 4.37Å; L1018-P1473 HydrophobicContact CD1-CB 4.24Å; L1018-P1473 HydrophobicContact CD2-CB 4.35Å; L1018-W1507 HydrophobicContact CD1-CE3 4.44Å; L1018-W1507 HydrophobicContact CD1-CH2 4.46Å; L1018-W1507 HydrophobicContact CD1-CZ3 3.62Å | ||
| 1019 | G | 88.2 | Confident | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 143.1 | 167.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1023 W1472 | G1019-Q1023 VanDerWaalsContact CA-CG 3.4Å; G1019-Q1023 WeakPolarHBondContact O-CG 3.45Å; G1019-Q1023 PolarHBondContact O-NE2 3.45Å; G1019-W1472 WeakPolarHBondContact CA-O 3.1Å |
| 1020 | Q | 84.7 | Confident | 87.8 | Confident | 40 Ų | 40 | 32.8 Ų | 32.8 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -86.5 | -38.1 | 179.5 | -57.7 | -47.8 | -65.6 | 0 | 0 | 113.4 | Q1023 W1472 A1474 | Q1020-Q1023 PolarHBondContact O-NE2 3.26Å; Q1020-W1472 PolarHBondContact NE2-O 2.99Å; Q1020-A1474 VanDerWaalsContact NE2-CA 3.29Å |
| 1021 | K | 83.3 | Confident | 87.7 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 24% | 0.243 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -139 | 157.6 | 175.5 | -57.8 | 175.6 | -171 | 162.2 | 0 | 109.1 | T1003 Q1023 S1432 N1453 M1471 | T1003-K1021 HydrophobicContact CG2-CB 4.43Å; K1021-Q1023 PolarHBondContact O-N 3.35Å; K1021-Q1023 VanDerWaalsContact O-N 3.1Å; K1021-S1432 PolarHBondContact NZ-OG 2.92Å; K1021-N1453 WeakPolarHBondContact CD-OD1 3.25Å; K1021-N1453 VanDerWaalsContact CE-OD1 3.24Å; K1021-N1453 WeakPolarHBondContact CE-OD1 3.45Å; K1021-N1453 PolarHBondContact NZ-ND2 3.49Å; K1021-M1471 WeakPolarHBondContact O-CE 3.15Å |
| 1022 | W | 81.5 | Confident | 87.9 | Confident | 66 Ų | 66 | 33 Ų | 33 | 25% | 0.25 | 17% | 0.172 | C | C | . | . | trans | 53.1 | 34.3 | 168.8 | -44.3 | 109.4 | 0 | 0 | 0 | 114.9 | F1001 V1002 T1003 G1024 F1428 | F1001-W1022 HydrophobicContact CB-CE3 4.2Å; V1002-W1022 CarbonylContact O-C 3.47Å; V1002-W1022 WeakPolarHBondContact O-CA 3.36Å; T1003-W1022 PolarHBondContact OG1-N 3.27Å; W1022-G1024 PolarHBondContact O-N 2.9Å; W1022-G1024 VanDerWaalsContact O-N 3.15Å; W1022-F1428 HydrophobicContact CB-CD1 4.39Å; W1022-F1428 AromaticContact CD1-CD2 3.58Å; W1022-F1428 AromaticContact CD1-CG 3.57Å; W1022-F1428 HydrophobicContact CD2-CB 3.78Å; W1022-F1428 HydrophobicContact CD2-CG 4.32Å; W1022-F1428 VanDerWaalsContact CE2-CB 3.5Å; W1022-F1428 HydrophobicContact CE3-CB 4.47Å; W1022-F1428 HydrophobicContact CG-CB 3.93Å; W1022-F1428 HydrophobicContact CG-CD1 4.18Å; W1022-F1428 HydrophobicContact CG-CD2 4.35Å; W1022-F1428 AromaticContact CG-CG 3.92Å; W1022-F1428 HydrophobicContact CG-CG 3.92Å; W1022-F1428 HydrophobicContact CZ2-CB 3.98Å; W1022-F1428 AromaticContact NE1-CD2 3.85Å; W1022-F1428 AromaticContact NE1-CG 3.83Å | ||
| 1023 | Q | 87.2 | Confident | 88.1 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | trans | -67.8 | -20.3 | -164.4 | -53.5 | 91.8 | -23.2 | 0 | 0 | 114 | V1002 T1003 F1004 I1017 G1019 Q1020 K1021 N1145 | V1002-Q1023 PolarHBondContact O-N 3.22Å; T1003-Q1023 VanDerWaalsContact CA-OE1 3.3Å; F1004-Q1023 HydrophobicContact CD2-CB 4.4Å; F1004-Q1023 PolarHBondContact O-NE2 2.88Å; F1004-Q1023 VanDerWaalsContact O-NE2 3.09Å; I1017-Q1023 VanDerWaalsContact CG2-C 3.48Å; I1017-Q1023 HydrophobicContact CG2-CB 3.66Å; I1017-Q1023 WeakPolarHBondContact CG2-O 3.25Å; G1019-Q1023 VanDerWaalsContact CA-CG 3.4Å; G1019-Q1023 WeakPolarHBondContact O-CG 3.45Å; G1019-Q1023 PolarHBondContact O-NE2 3.45Å; Q1020-Q1023 PolarHBondContact O-NE2 3.26Å; K1021-Q1023 PolarHBondContact O-N 3.35Å; K1021-Q1023 VanDerWaalsContact O-N 3.1Å; Q1023-N1145 PolarHBondContact NE2-ND2 2.84Å; Q1023-N1145 VanDerWaalsContact NE2-ND2 3.1Å | ||
| 1024 | G | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | -166.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1001 V1002 W1022 C1034 | F1001-G1024 WeakPolarHBondContact CA-O 3.4Å; V1002-G1024 PolarHBondContact N-O 3.49Å; W1022-G1024 PolarHBondContact O-N 2.9Å; W1022-G1024 VanDerWaalsContact O-N 3.15Å; G1024-C1034 WeakPolarHBondContact CA-O 3.39Å |
| 1025 | V | 89.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.6 | -179.5 | -62 | 0 | 0 | 0 | 0 | 111.6 | F999 T1000 F1001 K1033 C1034 R1039 | F999-V1025 HydrophobicContact CB-CB 4.09Å; F999-V1025 HydrophobicContact CB-CG2 4.19Å; F999-V1025 HydrophobicContact CD1-CB 3.97Å; F999-V1025 HydrophobicContact CD1-CG2 3.57Å; F999-V1025 HydrophobicContact CE1-CG2 4.19Å; F999-V1025 HydrophobicContact CG-CB 4.35Å; F999-V1025 HydrophobicContact CG-CG2 3.99Å; T1000-V1025 CarbonylContact O-C 3.57Å; T1000-V1025 VanDerWaalsContact O-CA 3.22Å; T1000-V1025 WeakPolarHBondContact O-CA 3.43Å; F1001-V1025 HydrophobicContact CD1-CG1 4Å; F1001-V1025 HydrophobicContact CD2-CG1 4.24Å; F1001-V1025 HydrophobicContact CE1-CG1 4.16Å; F1001-V1025 HydrophobicContact CE2-CG1 4.36Å; F1001-V1025 HydrophobicContact CG-CG1 4.07Å; F1001-V1025 HydrophobicContact CZ-CG1 4.36Å; V1025-K1033 WeakPolarHBondContact O-CA 3.23Å; V1025-C1034 PolarHBondContact N-O 3.04Å; V1025-C1034 PolarHBondContact O-N 2.98Å; V1025-R1039 HydrophobicContact CG2-CB 4.03Å |
| 1026 | Q | 92.3 | Very high | 88.5 | Confident | 36 Ų | 36 | 32.5 Ų | 32.5 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.8 | 176.7 | -173.4 | 169.2 | -44.7 | 0 | 0 | 109.1 | F999 T1000 V1002 Q1028 L1032 K1033 | F999-Q1026 WeakPolarHBondContact CA-O 3.38Å; T1000-Q1026 PolarHBondContact N-O 3.34Å; T1000-Q1026 PolarHBondContact O-N 3.48Å; V1002-Q1026 HydrophobicContact CB-CB 4.32Å; V1002-Q1026 HydrophobicContact CG2-CB 3.63Å; Q1026-Q1028 PolarHBondContact O-N 2.85Å; Q1026-L1032 CarbonylContact C-O 3.58Å; Q1026-L1032 WeakPolarHBondContact CA-O 3.24Å; Q1026-K1033 HydrophobicContact CB-CG 4.25Å; Q1026-K1033 HydrophobicContact CG-CG 3.88Å |
| 1027 | C | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.1 | 173.7 | -173 | 0 | 0 | 0 | 0 | 109.7 | H997 K998 F999 D1029 C1030 Q1031 L1032 | H997-C1027 HydrophobicContact CB-CB 4.49Å; H997-C1027 PolarHBondContact ND1-SG 3.34Å; K998-C1027 CarbonylContact O-C 3.59Å; K998-C1027 WeakPolarHBondContact O-CA 3.46Å; F999-C1027 HydrophobicContact CD1-CB 4.11Å; F999-C1027 HydrophobicContact CE1-CB 3.8Å; F999-C1027 HydrophobicContact CZ-CB 4.3Å; C1027-D1029 VanDerWaalsContact C-N 3.27Å; C1027-D1029 PolarHBondContact O-N 2.72Å; C1027-D1029 PolarHBondContact SG-OD2 3.02Å; C1027-C1030 VanDerWaalsContact CB-SG 3.58Å; C1027-Q1031 WeakPolarHBondContact O-CA 3.28Å; C1027-Q1031 PolarHBondContact O-N 3.3Å; C1027-L1032 HydrophobicContact CB-CB 4.33Å; C1027-L1032 PolarHBondContact N-O 3.1Å |
| 1028 | Q | 88.2 | Confident | 88.1 | Confident | 111 Ų | 111 | 40.4 Ų | 40.4 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.3 | 179.8 | -68.5 | -173.9 | -40.3 | 0 | 0 | 112.8 | K998 T1000 Q1026 Q1031 | K998-Q1028 HydrophobicContact CB-CB 4.37Å; K998-Q1028 PolarHBondContact O-N 2.74Å; T1000-Q1028 HydrophobicContact CG2-CG 3.98Å; Q1026-Q1028 PolarHBondContact O-N 2.85Å; Q1028-Q1031 PolarHBondContact O-NE2 3.5Å |
| 1029 | D | 89.2 | Confident | 88 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -55.6 | -177.1 | -34.4 | -95.3 | 0 | 0 | 0 | 112.2 | K998 C1027 A1048 | K998-D1029 WeakPolarHBondContact CB-OD2 3.31Å; K998-D1029 WeakPolarHBondContact CG-OD2 3.03Å; K998-D1029 PolarHBondContact N-OD2 2.91Å; K998-D1029 IonicContact NZ-OD1 3.03Å; K998-D1029 PolarHBondContact NZ-OD1 2.94Å; C1027-D1029 VanDerWaalsContact C-N 3.27Å; C1027-D1029 PolarHBondContact O-N 2.72Å; C1027-D1029 PolarHBondContact SG-OD2 3.02Å; D1029-A1048 HydrophobicContact CB-CB 4.05Å |
| 1030 | C | 86.6 | Confident | 87.6 | Confident | 38 Ų | 38 | 52 Ų | 52 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 4 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 115.9 | H997 C1027 L1032 A1048 | H997-C1030 PolarHBondContact CE1-SG 3.24Å; H997-C1030 PolarHBondContact ND1-SG 3.2Å; C1027-C1030 VanDerWaalsContact CB-SG 3.58Å; C1030-L1032 PolarHBondContact O-N 3.39Å; C1030-A1048 HydrophobicContact CB-CB 4Å |
| 1031 | Q | 89.3 | Confident | 87.6 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | trans | 60.5 | 10 | -179.4 | -45.7 | -51.2 | -36.4 | 0 | 0 | 117 | C1027 Q1028 K1033 | C1027-Q1031 WeakPolarHBondContact O-CA 3.28Å; C1027-Q1031 PolarHBondContact O-N 3.3Å; Q1028-Q1031 PolarHBondContact O-NE2 3.5Å; Q1031-K1033 PolarHBondContact O-N 3.24Å | ||
| 1032 | L | 90.8 | Very high | 87.7 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | trans | -58.8 | 127.9 | 175.8 | -174 | 156.4 | 0 | 0 | 0 | 111.3 | F999 H1011 Q1026 C1027 C1030 C1034 V1042 | F999-L1032 HydrophobicContact CE1-CD2 4.12Å; F999-L1032 HydrophobicContact CZ-CD2 4.15Å; H1011-L1032 HydrophobicContact CB-CD2 4.22Å; H1011-L1032 HydrophobicContact CB-CG 4.01Å; Q1026-L1032 CarbonylContact C-O 3.58Å; Q1026-L1032 WeakPolarHBondContact CA-O 3.24Å; C1027-L1032 HydrophobicContact CB-CB 4.33Å; C1027-L1032 PolarHBondContact N-O 3.1Å; C1030-L1032 PolarHBondContact O-N 3.39Å; L1032-C1034 HydrophobicContact CD2-CB 4.24Å; L1032-V1042 HydrophobicContact CD1-CG1 3.85Å; L1032-V1042 HydrophobicContact CD2-CG1 4.25Å; L1032-V1042 HydrophobicContact CD2-CG2 3.82Å | ||
| 1033 | K | 92.7 | Very high | 87.5 | Confident | 67 Ų | 67 | 56 Ų | 56 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.7 | -176.3 | -64.4 | 159.4 | -172.9 | 170.9 | 0 | 111.9 | F1004 T1008 H1011 I1017 V1025 Q1026 Q1031 | F1004-K1033 HydrophobicContact CE1-CB 4.37Å; F1004-K1033 HydrophobicContact CE1-CD 3.77Å; F1004-K1033 HydrophobicContact CE1-CG 3.8Å; F1004-K1033 HydrophobicContact CZ-CB 4.06Å; F1004-K1033 HydrophobicContact CZ-CD 4.33Å; F1004-K1033 HydrophobicContact CZ-CG 3.92Å; T1008-K1033 HydrophobicContact CG2-CB 4.37Å; T1008-K1033 HydrophobicContact CG2-CD 3.99Å; H1011-K1033 PolarHBondContact N-O 3.22Å; H1011-K1033 PolarHBondContact ND1-N 2.99Å; H1011-K1033 PolarHBondContact ND1-O 2.91Å; I1017-K1033 HydrophobicContact CD1-CB 4.47Å; V1025-K1033 WeakPolarHBondContact O-CA 3.23Å; Q1026-K1033 HydrophobicContact CB-CG 4.25Å; Q1026-K1033 HydrophobicContact CG-CG 3.88Å; Q1031-K1033 PolarHBondContact O-N 3.24Å |
| 1034 | C | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.4 | 178.9 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | C1010 V1012 G1024 V1025 L1032 C1038 | C1010-C1034 VanDerWaalsContact SG-CA 3.53Å; C1010-C1034 WeakPolarHBondContact SG-CB 3.26Å; V1012-C1034 HydrophobicContact CG2-CB 3.96Å; G1024-C1034 WeakPolarHBondContact CA-O 3.39Å; V1025-C1034 PolarHBondContact N-O 3.04Å; V1025-C1034 PolarHBondContact O-N 2.98Å; L1032-C1034 HydrophobicContact CD2-CB 4.24Å; C1034-C1038 HydrophobicContact CB-CB 4.02Å |
| 1035 | H | 89.3 | Confident | 86.6 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 9% | 0.088 | 32% | 0.317 | C | S | . | . | trans | -62.3 | 154.8 | 168.3 | -51.2 | 102 | 0 | 0 | 0 | 110.3 | C1010 C1013 S1015 L1016 R1037 C1038 R1039 | C1010-H1035 VanDerWaalsContact CB-CE1 3.42Å; C1010-H1035 WeakPolarHBondContact CB-CE1 3.47Å; C1010-H1035 WeakPolarHBondContact CB-ND1 3.16Å; C1013-H1035 VanDerWaalsContact SG-CE1 3.54Å; C1013-H1035 PolarHBondContact SG-ND1 3.2Å; S1015-H1035 PolarHBondContact O-CE1 3.3Å; L1016-H1035 PolarHBondContact O-NE2 2.87Å; H1035-R1037 HydrophobicContact CB-CG 4.04Å; H1035-R1037 PolarHBondContact O-N 3.15Å; H1035-C1038 HydrophobicContact CB-CB 4.26Å; H1035-C1038 WeakPolarHBondContact O-CB 3.39Å; H1035-C1038 PolarHBondContact O-N 3.04Å; H1035-R1039 PolarHBondContact O-N 3.48Å | ||
| 1036 | H | 86.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -51.7 | -178.6 | -175 | 77 | 0 | 0 | 0 | 113.1 | F1001 C1038 R1039 D1468 | F1001-H1036 HydrophobicContact CE1-CB 4.24Å; F1001-H1036 AromaticContact CE1-ND1 3.6Å; F1001-H1036 AromaticContact CE2-CE1 3.86Å; F1001-H1036 AromaticContact CE2-ND1 3.72Å; F1001-H1036 HydrophobicContact CZ-CB 4.46Å; F1001-H1036 AromaticContact CZ-CE1 3.43Å; F1001-H1036 VanDerWaalsContact CZ-CE1 3.43Å; F1001-H1036 WeakPolarHBondContact CZ-CE1 3.39Å; F1001-H1036 AromaticContact CZ-CG 3.81Å; F1001-H1036 AromaticContact CZ-ND1 3.03Å; F1001-H1036 WeakPolarHBondContact CZ-ND1 3.33Å; H1036-C1038 VanDerWaalsContact C-N 3.29Å; H1036-C1038 PolarHBondContact O-N 3.34Å; H1036-R1039 PolarHBondContact CE1-NE 3.08Å; H1036-R1039 VanDerWaalsContact CE1-NE 3.28Å; H1036-R1039 PolarHBondContact CE1-NH2 3.43Å; H1036-R1039 VanDerWaalsContact CE1-NH2 3.33Å; H1036-R1039 PolarHBondContact NE2-NE 3.13Å; H1036-R1039 PolarHBondContact NE2-NH2 3.49Å; H1036-R1039 VanDerWaalsContact NE2-NH2 3.16Å; H1036-R1039 WeakPolarHBondContact O-CB 3.41Å; H1036-R1039 VanDerWaalsContact O-CD 3.27Å; H1036-R1039 WeakPolarHBondContact O-CD 3.46Å; H1036-R1039 WeakPolarHBondContact O-CG 3.39Å; H1036-R1039 PolarHBondContact O-N 3.17Å; H1036-D1468 IonicContact CD2-OD1 2.71Å |
| 1037 | R | 84.2 | Confident | 85.2 | Confident | 155 Ų | 155 | 67.9 Ų | 67.9 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -50 | -41.3 | 169.3 | 52.8 | -175.1 | -179.8 | -153.6 | 1.9 | 115.2 | H1035 R1039 M1040 D1468 | H1035-R1037 HydrophobicContact CB-CG 4.04Å; H1035-R1037 PolarHBondContact O-N 3.15Å; R1037-R1039 PolarHBondContact O-N 2.99Å; R1037-M1040 PolarHBondContact O-N 2.97Å; R1037-D1468 WeakPolarHBondContact CB-OD2 3.4Å; R1037-D1468 WeakPolarHBondContact CD-OD2 3.4Å; R1037-D1468 PolarHBondContact N-OD1 3.11Å |
| 1038 | C | 87.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.095 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -71.1 | -15.6 | -174.4 | -66.9 | 0 | 0 | 0 | 0 | 113.2 | V1012 C1034 H1035 H1036 M1040 S1041 V1042 | V1012-C1038 HydrophobicContact CB-CB 4.03Å; V1012-C1038 HydrophobicContact CG1-CB 4.27Å; V1012-C1038 HydrophobicContact CG2-CB 4.19Å; C1034-C1038 HydrophobicContact CB-CB 4.02Å; H1035-C1038 HydrophobicContact CB-CB 4.26Å; H1035-C1038 WeakPolarHBondContact O-CB 3.39Å; H1035-C1038 PolarHBondContact O-N 3.04Å; H1036-C1038 VanDerWaalsContact C-N 3.29Å; H1036-C1038 PolarHBondContact O-N 3.34Å; C1038-M1040 PolarHBondContact O-N 2.72Å; C1038-M1040 VanDerWaalsContact O-N 3.15Å; C1038-S1041 PolarHBondContact O-N 3.25Å; C1038-V1042 PolarHBondContact O-N 3.01Å |
| 1039 | R | 85.2 | Confident | 81.7 | Confident | 108 Ų | 108 | 72.6 Ų | 72.6 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -57.6 | -28 | 177.2 | 83.3 | -167.7 | 167.1 | 132.5 | -4.3 | 113.6 | F999 V1025 H1035 H1036 R1037 S1041 | F999-R1039 HydrophobicContact CD2-CB 4.05Å; F999-R1039 HydrophobicContact CE2-CB 4.09Å; F999-R1039 HydrophobicContact CG-CB 4.44Å; V1025-R1039 HydrophobicContact CG2-CB 4.03Å; H1035-R1039 PolarHBondContact O-N 3.48Å; H1036-R1039 PolarHBondContact CE1-NE 3.08Å; H1036-R1039 VanDerWaalsContact CE1-NE 3.28Å; H1036-R1039 PolarHBondContact CE1-NH2 3.43Å; H1036-R1039 VanDerWaalsContact CE1-NH2 3.33Å; H1036-R1039 PolarHBondContact NE2-NE 3.13Å; H1036-R1039 PolarHBondContact NE2-NH2 3.49Å; H1036-R1039 VanDerWaalsContact NE2-NH2 3.16Å; H1036-R1039 WeakPolarHBondContact O-CB 3.41Å; H1036-R1039 VanDerWaalsContact O-CD 3.27Å; H1036-R1039 WeakPolarHBondContact O-CD 3.46Å; H1036-R1039 WeakPolarHBondContact O-CG 3.39Å; H1036-R1039 PolarHBondContact O-N 3.17Å; R1037-R1039 PolarHBondContact O-N 2.99Å; R1039-S1041 VanDerWaalsContact C-N 3.3Å |
| 1040 | M | 81.4 | Confident | 79.5 | Confident | 162 Ų | 162 | 76.2 Ų | 76.2 | 80% | 0.798 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -81.3 | -10.3 | 178.3 | -65.3 | -177.8 | 65.9 | 0 | 0 | 113.3 | R1037 C1038 | R1037-M1040 PolarHBondContact O-N 2.97Å; C1038-M1040 PolarHBondContact O-N 2.72Å; C1038-M1040 VanDerWaalsContact O-N 3.15Å |
| 1041 | S | 84.3 | Confident | 77.3 | Confident | 92 Ų | 92 | 79.8 Ų | 79.8 | 64% | 0.643 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -107 | 2.4 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | C1038 R1039 | C1038-S1041 PolarHBondContact O-N 3.25Å; R1039-S1041 VanDerWaalsContact C-N 3.3Å |
| 1042 | V | 84.1 | Confident | 74.7 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 10% | 0.103 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -73.1 | 142.6 | 166.3 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | F999 V1012 L1032 C1038 I1044 | F999-V1042 HydrophobicContact CE2-CG2 4.49Å; F999-V1042 HydrophobicContact CZ-CB 4.27Å; F999-V1042 HydrophobicContact CZ-CG1 4.19Å; F999-V1042 HydrophobicContact CZ-CG2 3.94Å; V1012-V1042 HydrophobicContact CG2-CG2 3.52Å; L1032-V1042 HydrophobicContact CD1-CG1 3.85Å; L1032-V1042 HydrophobicContact CD2-CG1 4.25Å; L1032-V1042 HydrophobicContact CD2-CG2 3.82Å; C1038-V1042 PolarHBondContact O-N 3.01Å; V1042-I1044 PolarHBondContact O-N 3.36Å |
| 1043 | H | 79 | Confident | 71.9 | Confident | 137 Ų | 137 | 85.6 Ų | 85.6 | 63% | 0.634 | 46% | 0.462 | S | S | * | . | trans | -55.9 | 134.4 | 175 | -171 | -100.8 | 0 | 0 | 0 | 110.8 | H997 V1045 | H997-H1043 PolarHBondContact CD2-O 3.42Å; H997-H1043 PolarHBondContact NE2-O 3.09Å; H997-H1043 VanDerWaalsContact NE2-O 3.17Å; H1043-V1045 VanDerWaalsContact C-N 3.29Å; H1043-V1045 PolarHBondContact ND1-O 2.92Å; H1043-V1045 PolarHBondContact O-N 3.06Å | ||
| 1044 | I | 78.9 | Confident | 69 | Low | 132 Ų | 132 | 89.9 Ų | 89.9 | 68% | 0.677 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -64.2 | -35.1 | -167.6 | -64 | 171.8 | 0 | 0 | 0 | 112.2 | T996 V1042 | T996-I1044 HydrophobicContact CG2-CG2 4.12Å; V1042-I1044 PolarHBondContact O-N 3.36Å |
| 1045 | V | 78.2 | Confident | 66.3 | Low | 58 Ų | 58 | 97.7 Ų | 97.7 | 35% | 0.352 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -86.5 | 118.8 | -179 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | T994 H1043 T1047 | T994-V1045 HydrophobicContact CG2-CG2 4.41Å; H1043-V1045 VanDerWaalsContact C-N 3.29Å; H1043-V1045 PolarHBondContact ND1-O 2.92Å; H1043-V1045 PolarHBondContact O-N 3.06Å; V1045-T1047 PolarHBondContact O-N 3.46Å |
| 1046 | C | 80.1 | Confident | 63.6 | Low | 12 Ų | 12 | 100.1 Ų | 100.1 | 8% | 0.081 | 56% | 0.559 | C | S | . | * | trans | -79.4 | 113.3 | 178 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | L995 H997 A1048 | L995-C1046 VanDerWaalsContact O-CB 3.22Å; L995-C1046 WeakPolarHBondContact O-CB 3.38Å; L995-C1046 PolarHBondContact O-N 3.37Å; H997-C1046 WeakPolarHBondContact NE2-CA 3.44Å; C1046-A1048 PolarHBondContact O-N 3.4Å; C1046-A1048 VanDerWaalsContact O-N 3.11Å | ||
| 1047 | T | 70.2 | Confident | 61 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | trans | -81.7 | 22.8 | -173.2 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | V1045 L1049 N1050 | V1045-T1047 PolarHBondContact O-N 3.46Å; T1047-L1049 PolarHBondContact O-N 3.46Å; T1047-N1050 PolarHBondContact O-N 2.67Å | ||
| 1048 | A | 60.5 | Low | 58.7 | Low | 49 Ų | 49 | 102.3 Ų | 102.3 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -13.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D1029 C1030 C1046 | D1029-A1048 HydrophobicContact CB-CB 4.05Å; C1030-A1048 HydrophobicContact CB-CB 4Å; C1046-A1048 PolarHBondContact O-N 3.4Å; C1046-A1048 VanDerWaalsContact O-N 3.11Å |
| 1049 | L | 47.7 | Very low | 56 | Low | 160 Ų | 160 | 103.3 Ų | 103.3 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -15.6 | 177.2 | -77.7 | 163 | 0 | 0 | 0 | 114.5 | T1047 | T1047-L1049 PolarHBondContact O-N 3.46Š|
| 1050 | N | 42.7 | Very low | 53.6 | Low | 129 Ų | 129 | 108.9 Ų | 108.9 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | trans | -111.8 | 98.7 | 175.6 | -79 | -8.4 | 0 | 0 | 0 | 110 | T1047 N1052 | T1047-N1050 PolarHBondContact O-N 2.67Å; N1050-N1052 VanDerWaalsContact C-N 3.25Å; N1050-N1052 PolarHBondContact O-N 3.47Å | ||
| 1051 | S | 40.3 | Very low | 51.5 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 80% | 0.797 | 61% | 0.606 | S | S | * | * | trans | -78.8 | 3.1 | -177.5 | 52 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1052 | N | 35 | Very low | 49.7 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -131.4 | 140.2 | -179.9 | -73.5 | -46 | 0 | 0 | 0 | 111 | N1050 | N1050-N1052 VanDerWaalsContact C-N 3.25Å; N1050-N1052 PolarHBondContact O-N 3.47Å |
| 1053 | C | 30.3 | Very low | 48.5 | Very low | 120 Ų | 120 | 102.7 Ų | 102.7 | 81% | 0.811 | 61% | 0.605 | S | S | * | * | trans | 66.4 | 129.8 | -169.7 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1054 | I | 32.3 | Very low | 48.3 | Very low | 157 Ų | 157 | 100.5 Ų | 100.5 | 81% | 0.805 | 59% | 0.594 | S | S | * | * | -150.2 | 143.9 | 59.2 | -82.1 | 158.2 | 0 | 0 | 0 | 110.3 | G1056 | I1054-G1056 PolarHBondContact O-N 2.66Š| |||
| 1055 | D | 33.6 | Very low | 48.7 | Very low | 164 Ų | 164 | 97.6 Ų | 97.6 | 88% | 0.877 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.4 | 169.7 | -65.2 | -65.6 | 0 | 0 | 0 | 110.9 | S1057 | D1055-S1057 PolarHBondContact O-N 2.67Š|
| 1056 | G | 33.4 | Very low | 49.2 | Very low | 71 Ų | 71 | 95.3 Ų | 95.3 | 73% | 0.732 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1054 | I1054-G1056 PolarHBondContact O-N 2.66Š|
| 1057 | S | 32.4 | Very low | 49.6 | Very low | 109 Ų | 109 | 96.7 Ų | 96.7 | 76% | 0.762 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.2 | 174.8 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | D1055 G1059 | D1055-S1057 PolarHBondContact O-N 2.67Å; S1057-G1059 PolarHBondContact O-N 3.01Å |
| 1058 | P | 34.3 | Very low | 50.6 | Low | 112 Ų | 112 | 92.3 Ų | 92.3 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | trans | -66.9 | 98.9 | -176.9 | 26.7 | -34.4 | 0 | 0 | 0 | 111.2 | ||||
| 1059 | G | 32.3 | Very low | 52.1 | Low | 35 Ų | 35 | 94.7 Ų | 94.7 | 36% | 0.361 | 55% | 0.545 | S | S | . | . | trans | -70 | 151.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1057 G1061 | S1057-G1059 PolarHBondContact O-N 3.01Å; G1059-G1061 VanDerWaalsContact C-N 3.31Å; G1059-G1061 PolarHBondContact O-N 3.25Å | ||
| 1060 | F | 35 | Very low | 54 | Low | 225 Ų | 225 | 87.7 Ų | 87.7 | 99% | 0.987 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -68.4 | 79.9 | -178.1 | -88.4 | -96.8 | 0 | 0 | 0 | 112.8 | ||
| 1061 | G | 36.7 | Very low | 55.9 | Low | 13 Ų | 13 | 83.2 Ų | 83.2 | 13% | 0.134 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -176.7 | 116.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1013 G1014 G1059 | C1013-G1061 WeakPolarHBondContact O-CA 2.93Å; G1014-G1061 CarbonylContact C-O 3.54Å; G1014-G1061 VanDerWaalsContact C-O 3.31Å; G1014-G1061 WeakPolarHBondContact CA-O 3.5Å; G1059-G1061 VanDerWaalsContact C-N 3.31Å; G1059-G1061 PolarHBondContact O-N 3.25Å |
| 1062 | A | 47.3 | Very low | 57.7 | Low | 17 Ų | 17 | 82.2 Ų | 82.2 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | trans | 64.5 | 43.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | K1009 F1064 L1087 | K1009-A1062 WeakPolarHBondContact CE-O 3.14Å; K1009-A1062 PolarHBondContact NZ-O 3.11Å; A1062-F1064 PolarHBondContact O-N 3.49Å; A1062-F1064 VanDerWaalsContact O-N 3.13Å; A1062-L1087 WeakPolarHBondContact CA-O 3.22Å; A1062-L1087 VanDerWaalsContact CB-O 3.23Å; A1062-L1087 WeakPolarHBondContact CB-O 3.33Å | ||
| 1063 | D | 57.9 | Low | 59.2 | Low | 111 Ų | 111 | 82.3 Ų | 82.3 | 59% | 0.594 | 47% | 0.468 | S | S | * | . | trans | -59.3 | -21.6 | 175.6 | -59.9 | -60.2 | 0 | 0 | 0 | 115.1 | ||||
| 1064 | F | 76.1 | Confident | 60.6 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 40% | 0.404 | 46% | 0.455 | S | S | . | . | trans | -116.7 | 127.6 | -166 | -68.6 | -88.1 | 0 | 0 | 0 | 115 | A1062 L1087 W1206 L1209 | A1062-F1064 PolarHBondContact O-N 3.49Å; A1062-F1064 VanDerWaalsContact O-N 3.13Å; F1064-L1087 PolarHBondContact O-N 3.15Å; F1064-L1087 VanDerWaalsContact O-N 3.1Å; F1064-W1206 HydrophobicContact CB-CH2 4.21Å; F1064-W1206 HydrophobicContact CB-CZ2 4.31Å; F1064-L1209 HydrophobicContact CB-CD2 3.45Å; F1064-L1209 VanDerWaalsContact CB-CD2 3.45Å; F1064-L1209 HydrophobicContact CD1-CD2 3.81Å; F1064-L1209 HydrophobicContact CD2-CD1 3.52Å; F1064-L1209 HydrophobicContact CD2-CD2 3.5Å; F1064-L1209 VanDerWaalsContact CD2-CD2 3.5Å; F1064-L1209 HydrophobicContact CD2-CG 4.14Å; F1064-L1209 HydrophobicContact CE1-CD2 4.45Å; F1064-L1209 HydrophobicContact CE2-CD1 3.61Å; F1064-L1209 HydrophobicContact CE2-CD2 4.19Å; F1064-L1209 HydrophobicContact CG-CD1 4.22Å; F1064-L1209 HydrophobicContact CG-CD2 3.28Å; F1064-L1209 HydrophobicContact CG-CG 4.37Å; F1064-L1209 HydrophobicContact CZ-CD1 4.35Å | ||
| 1065 | E | 87.4 | Confident | 62.1 | Low | 70 Ų | 70 | 73 Ų | 73 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 150.7 | 169.7 | 62.9 | -177.9 | -95 | 0 | 0 | 110.5 | K1009 R1084 V1085 F1086 | K1009-E1065 VanDerWaalsContact CE-OE2 3.22Å; K1009-E1065 WeakPolarHBondContact CE-OE2 3.37Å; K1009-E1065 IonicContact NZ-OE2 2.79Å; K1009-E1065 PolarHBondContact NZ-OE2 2.77Å; E1065-R1084 IonicContact OE1-CZ 3.78Å; E1065-R1084 IonicContact OE1-NE 2.79Å; E1065-R1084 PolarHBondContact OE1-NE 3.27Å; E1065-R1084 IonicContact OE1-NH2 3.22Å; E1065-R1084 PolarHBondContact OE1-NH2 3.38Å; E1065-V1085 CarbonylContact C-O 3.58Å; E1065-V1085 WeakPolarHBondContact CA-O 3.43Å; E1065-V1085 WeakPolarHBondContact CB-O 3.02Å; E1065-F1086 HydrophobicContact CB-CD1 3.58Å; E1065-F1086 HydrophobicContact CB-CE1 3.85Å; E1065-F1086 HydrophobicContact CB-CG 4.27Å; E1065-F1086 HydrophobicContact CG-CD1 4.45Å; E1065-F1086 HydrophobicContact CG-CE1 4.36Å; E1065-F1086 WeakPolarHBondContact OE2-CE1 3.35Å |
| 1066 | S | 86.9 | Confident | 63.6 | Low | 10 Ų | 10 | 66.6 Ų | 66.6 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 167.4 | 172 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | V1085 W1206 | S1066-V1085 PolarHBondContact N-O 3.48Å; S1066-V1085 PolarHBondContact O-N 2.95Å; S1066-W1206 PolarHBondContact OG-NE1 3.34Å |
| 1067 | D | 89.7 | Confident | 65.2 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 23% | 0.225 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.7 | 165 | -65 | -14.3 | 0 | 0 | 0 | 110.1 | K1082 Y1083 R1084 | D1067-K1082 WeakPolarHBondContact OD2-CE 3.48Å; D1067-K1082 IonicContact OD2-NZ 2.64Å; D1067-K1082 PolarHBondContact OD2-NZ 2.86Å; D1067-Y1083 CarbonylContact C-O 3.46Å; D1067-Y1083 WeakPolarHBondContact CA-O 3.44Å; D1067-R1084 WeakPolarHBondContact OD1-CD 3.32Å; D1067-R1084 IonicContact OD1-CZ 3.08Å; D1067-R1084 IonicContact OD1-NE 2.64Å; D1067-R1084 IonicContact OD1-NH1 2.75Å; D1067-R1084 PolarHBondContact OD1-NH1 2.78Å; D1067-R1084 IonicContact OD2-NH1 3.57Å |
| 1068 | V | 91.9 | Very high | 67.2 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161 | 173.1 | 85.1 | 0 | 0 | 0 | 0 | 109.7 | M1070 Y1083 V1085 L1195 L1196 F1197 | V1068-M1070 HydrophobicContact CG1-CG 4.25Å; V1068-Y1083 PolarHBondContact N-O 2.81Å; V1068-Y1083 PolarHBondContact O-N 2.77Å; V1068-V1085 HydrophobicContact CB-CG2 3.9Å; V1068-V1085 HydrophobicContact CG1-CG2 3.32Å; V1068-L1195 HydrophobicContact CG2-CB 3.84Å; V1068-L1195 HydrophobicContact CG2-CD2 4.48Å; V1068-L1196 WeakPolarHBondContact CG2-O 3.29Å; V1068-F1197 HydrophobicContact CB-CE1 4.42Å; V1068-F1197 HydrophobicContact CG2-CD1 4.01Å; V1068-F1197 HydrophobicContact CG2-CD2 4.4Å; V1068-F1197 HydrophobicContact CG2-CE1 3.8Å; V1068-F1197 HydrophobicContact CG2-CE2 4.2Å; V1068-F1197 HydrophobicContact CG2-CG 4.31Å; V1068-F1197 HydrophobicContact CG2-CZ 3.91Å |
| 1069 | K | 91.2 | Very high | 69.3 | Low | 98 Ų | 98 | 71.5 Ų | 71.5 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.7 | 174 | -77.5 | 168.5 | -174.6 | 167.9 | 0 | 109.6 | W1080 M1081 L1196 | K1069-W1080 HydrophobicContact CB-CB 4.06Å; K1069-W1080 HydrophobicContact CB-CD2 4.49Å; K1069-W1080 HydrophobicContact CB-CE3 4.2Å; K1069-W1080 HydrophobicContact CB-CG 4.46Å; K1069-W1080 HydrophobicContact CG-CB 4.47Å; K1069-M1081 CarbonylContact C-O 3.58Å; K1069-M1081 VanDerWaalsContact CA-O 3.32Å; K1069-M1081 WeakPolarHBondContact CA-O 3.36Å; K1069-L1196 HydrophobicContact CB-CB 3.92Å; K1069-L1196 HydrophobicContact CB-CD2 4.11Å; K1069-L1196 HydrophobicContact CB-CG 4.14Å; K1069-L1196 HydrophobicContact CD-CD2 4.33Å; K1069-L1196 PolarHBondContact N-O 3.33Å; K1069-L1196 WeakPolarHBondContact O-CB 3.24Å; K1069-L1196 PolarHBondContact O-N 2.82Å |
| 1070 | M | 88.1 | Confident | 71.7 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 6% | 0.064 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.7 | 177.4 | -64.7 | -179.3 | 65.2 | 0 | 0 | 110.6 | V1068 W1080 M1081 Y1083 F1094 L1193 L1195 | V1068-M1070 HydrophobicContact CG1-CG 4.25Å; M1070-W1080 VanDerWaalsContact C-CE3 3.5Å; M1070-W1080 CarbonylContact O-C 3.51Å; M1070-W1080 VanDerWaalsContact O-CA 3.28Å; M1070-W1080 WeakPolarHBondContact O-CA 3.37Å; M1070-M1081 PolarHBondContact N-O 2.97Å; M1070-M1081 PolarHBondContact O-N 2.84Å; M1070-Y1083 HydrophobicContact CB-CD2 3.85Å; M1070-Y1083 HydrophobicContact CB-CE2 3.9Å; M1070-Y1083 HydrophobicContact CG-CD2 3.84Å; M1070-Y1083 HydrophobicContact CG-CE2 4.31Å; M1070-Y1083 HydrophobicContact SD-CD2 3.78Å; M1070-Y1083 HydrophobicContact SD-CE2 4.14Å; M1070-Y1083 HydrophobicContact SD-CG 4.18Å; M1070-F1094 HydrophobicContact SD-CD1 3.62Å; M1070-F1094 HydrophobicContact SD-CE1 3.76Å; M1070-L1193 HydrophobicContact CE-CB 4.17Å; M1070-L1193 HydrophobicContact CE-CD1 4.07Å; M1070-L1193 HydrophobicContact CE-CD2 3.81Å; M1070-L1193 HydrophobicContact CE-CG 4.23Å; M1070-L1195 HydrophobicContact CE-CD2 4.13Å; M1070-L1195 HydrophobicContact CG-CD2 3.72Å; M1070-L1195 HydrophobicContact SD-CD2 3.84Å |
| 1071 | P | 82.3 | Confident | 74.1 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 140.6 | 177.7 | -19.9 | 32.1 | 0 | 0 | 0 | 111.6 | I1076 W1080 F1194 | P1071-I1076 HydrophobicContact CB-CG1 3.95Å; P1071-I1076 HydrophobicContact CG-CG1 3.69Å; P1071-W1080 HydrophobicContact CG-CE3 4.35Å; P1071-W1080 HydrophobicContact CG-CZ3 3.95Å; P1071-F1194 WeakPolarHBondContact CD-O 3.36Å; P1071-F1194 HydrophobicContact CG-CB 4.06Å; P1071-F1194 HydrophobicContact CG-CD2 4.43Å |
| 1072 | K | 78.7 | Confident | 76.6 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 161.7 | 170.1 | -68.1 | -169.7 | -172.2 | 178.4 | 0 | 111.2 | G1074 G1075 R1078 G1079 W1080 M1081 | K1072-G1074 PolarHBondContact O-N 2.68Å; K1072-G1075 PolarHBondContact O-N 2.7Å; K1072-R1078 HydrophobicContact CB-CB 4.27Å; K1072-R1078 WeakPolarHBondContact CD-O 3.36Å; K1072-G1079 PolarHBondContact N-O 3.32Å; K1072-W1080 WeakPolarHBondContact CE-O 3.36Å; K1072-M1081 HydrophobicContact CG-CB 4.11Å; K1072-M1081 HydrophobicContact CG-CE 4.41Å |
| 1073 | L | 65.4 | Low | 78.7 | Confident | 137 Ų | 137 | 68.8 Ų | 68.8 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 128.3 | 168.9 | -69.9 | 168.3 | 0 | 0 | 0 | 109.8 | R1078 S1531 | L1073-R1078 WeakPolarHBondContact O-CD 3.44Å; L1073-S1531 WeakPolarHBondContact CD2-OG 3.23Å |
| 1074 | G | 59 | Low | 80.4 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 1.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1072 | K1072-G1074 PolarHBondContact O-N 2.68Š|
| 1075 | G | 65.6 | Low | 81.1 | Confident | 30 Ų | 30 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | trans | 85.8 | -179.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1072 K1077 R1078 | K1072-G1075 PolarHBondContact O-N 2.7Å; G1075-K1077 PolarHBondContact O-N 2.94Å; G1075-R1078 PolarHBondContact O-N 3.22Å | ||
| 1076 | I | 65 | Low | 81.4 | Confident | 29 Ų | 29 | 59 Ų | 59 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -53 | -31.2 | -170.5 | -64.7 | 169.6 | 0 | 0 | 0 | 112.8 | P1071 R1078 G1079 W1080 V1168 F1194 | P1071-I1076 HydrophobicContact CB-CG1 3.95Å; P1071-I1076 HydrophobicContact CG-CG1 3.69Å; I1076-R1078 PolarHBondContact O-N 3.29Å; I1076-G1079 WeakPolarHBondContact O-CA 3.42Å; I1076-G1079 PolarHBondContact O-N 3.41Å; I1076-W1080 HydrophobicContact CD1-CH2 4.21Å; I1076-W1080 HydrophobicContact CD1-CZ2 4.47Å; I1076-W1080 HydrophobicContact CG1-CH2 4.14Å; I1076-W1080 HydrophobicContact CG1-CZ2 4.26Å; I1076-W1080 HydrophobicContact CG2-CZ2 3.84Å; I1076-V1168 HydrophobicContact CD1-CB 4.25Å; I1076-V1168 HydrophobicContact CD1-CG1 3.82Å; I1076-F1194 HydrophobicContact CD1-CD2 4.44Å |
| 1077 | K | 66.1 | Low | 81.5 | Confident | 180 Ų | 180 | 59.1 Ų | 59.1 | 78% | 0.783 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -63.2 | -24.5 | 178.9 | -166.7 | 176.1 | 179.6 | -177.7 | 0 | 113.7 | G1075 G1079 | G1075-K1077 PolarHBondContact O-N 2.94Å; K1077-G1079 VanDerWaalsContact C-N 3.26Å |
| 1078 | R | 74.5 | Confident | 81.4 | Confident | 189 Ų | 189 | 57.2 Ų | 57.2 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -86 | 7.2 | 171.5 | -70.6 | -165.2 | 172 | -161.1 | -2.6 | 113.4 | K1072 L1073 G1075 I1076 | K1072-R1078 HydrophobicContact CB-CB 4.27Å; K1072-R1078 WeakPolarHBondContact CD-O 3.36Å; L1073-R1078 WeakPolarHBondContact O-CD 3.44Å; G1075-R1078 PolarHBondContact O-N 3.22Å; I1076-R1078 PolarHBondContact O-N 3.29Å |
| 1079 | G | 77.4 | Confident | 81 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | trans | 84 | -169.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1072 I1076 K1077 | K1072-G1079 PolarHBondContact N-O 3.32Å; I1076-G1079 WeakPolarHBondContact O-CA 3.42Å; I1076-G1079 PolarHBondContact O-N 3.41Å; K1077-G1079 VanDerWaalsContact C-N 3.26Å | ||
| 1080 | W | 82.7 | Confident | 80.8 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 154.8 | -172.2 | -54.7 | 87.1 | 0 | 0 | 0 | 112.1 | K1069 M1070 P1071 K1072 I1076 I1179 L1196 | K1069-W1080 HydrophobicContact CB-CB 4.06Å; K1069-W1080 HydrophobicContact CB-CD2 4.49Å; K1069-W1080 HydrophobicContact CB-CE3 4.2Å; K1069-W1080 HydrophobicContact CB-CG 4.46Å; K1069-W1080 HydrophobicContact CG-CB 4.47Å; M1070-W1080 VanDerWaalsContact C-CE3 3.5Å; M1070-W1080 CarbonylContact O-C 3.51Å; M1070-W1080 VanDerWaalsContact O-CA 3.28Å; M1070-W1080 WeakPolarHBondContact O-CA 3.37Å; P1071-W1080 HydrophobicContact CG-CE3 4.35Å; P1071-W1080 HydrophobicContact CG-CZ3 3.95Å; K1072-W1080 WeakPolarHBondContact CE-O 3.36Å; I1076-W1080 HydrophobicContact CD1-CH2 4.21Å; I1076-W1080 HydrophobicContact CD1-CZ2 4.47Å; I1076-W1080 HydrophobicContact CG1-CH2 4.14Å; I1076-W1080 HydrophobicContact CG1-CZ2 4.26Å; I1076-W1080 HydrophobicContact CG2-CZ2 3.84Å; W1080-I1179 HydrophobicContact CH2-CD1 3.93Å; W1080-I1179 HydrophobicContact CH2-CG1 4.36Å; W1080-I1179 HydrophobicContact CZ2-CD1 4.22Å; W1080-L1196 HydrophobicContact CD2-CB 4.42Å; W1080-L1196 HydrophobicContact CD2-CD2 3.72Å; W1080-L1196 HydrophobicContact CE3-CB 3.87Å; W1080-L1196 HydrophobicContact CE3-CD2 4.05Å; W1080-L1196 HydrophobicContact CG-CD2 4.18Å; W1080-L1196 HydrophobicContact CH2-CB 3.96Å; W1080-L1196 HydrophobicContact CH2-CD2 4.27Å; W1080-L1196 HydrophobicContact CZ2-CB 4.47Å; W1080-L1196 HydrophobicContact CZ2-CD2 3.94Å; W1080-L1196 HydrophobicContact CZ3-CB 3.62Å; W1080-L1196 HydrophobicContact CZ3-CD2 4.31Å |
| 1081 | M | 85.9 | Confident | 80.9 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.4 | 172.9 | -175.8 | 171.4 | -76.9 | 0 | 0 | 109 | K1069 M1070 K1072 Y1083 | K1069-M1081 CarbonylContact C-O 3.58Å; K1069-M1081 VanDerWaalsContact CA-O 3.32Å; K1069-M1081 WeakPolarHBondContact CA-O 3.36Å; M1070-M1081 PolarHBondContact N-O 2.97Å; M1070-M1081 PolarHBondContact O-N 2.84Å; K1072-M1081 HydrophobicContact CG-CB 4.11Å; K1072-M1081 HydrophobicContact CG-CE 4.41Å; M1081-Y1083 HydrophobicContact CB-CE2 4.03Å; M1081-Y1083 HydrophobicContact CG-CE2 3.89Å; M1081-Y1083 HydrophobicContact SD-CE2 4.21Å; M1081-Y1083 PolarHBondContact SD-OH 3.09Å |
| 1082 | K | 90 | Very high | 81.4 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.5 | -174.1 | -168.6 | -173.2 | 178.7 | -168.5 | 0 | 110.6 | D1067 V1097 | D1067-K1082 WeakPolarHBondContact OD2-CE 3.48Å; D1067-K1082 IonicContact OD2-NZ 2.64Å; D1067-K1082 PolarHBondContact OD2-NZ 2.86Å; K1082-V1097 HydrophobicContact CD-CB 4.44Å; K1082-V1097 HydrophobicContact CD-CG1 4.3Å; K1082-V1097 HydrophobicContact CG-CB 4.48Å; K1082-V1097 PolarHBondContact O-N 2.92Å |
| 1083 | Y | 91.8 | Very high | 82 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.3 | 176.9 | -73.1 | -86.4 | 0 | 0 | 0 | 110.3 | D1067 V1068 M1070 M1081 F1094 Y1095 D1096 | D1067-Y1083 CarbonylContact C-O 3.46Å; D1067-Y1083 WeakPolarHBondContact CA-O 3.44Å; V1068-Y1083 PolarHBondContact N-O 2.81Å; V1068-Y1083 PolarHBondContact O-N 2.77Å; M1070-Y1083 HydrophobicContact CB-CD2 3.85Å; M1070-Y1083 HydrophobicContact CB-CE2 3.9Å; M1070-Y1083 HydrophobicContact CG-CD2 3.84Å; M1070-Y1083 HydrophobicContact CG-CE2 4.31Å; M1070-Y1083 HydrophobicContact SD-CD2 3.78Å; M1070-Y1083 HydrophobicContact SD-CE2 4.14Å; M1070-Y1083 HydrophobicContact SD-CG 4.18Å; M1081-Y1083 HydrophobicContact CB-CE2 4.03Å; M1081-Y1083 HydrophobicContact CG-CE2 3.89Å; M1081-Y1083 HydrophobicContact SD-CE2 4.21Å; M1081-Y1083 PolarHBondContact SD-OH 3.09Å; Y1083-F1094 HydrophobicContact CD1-CB 4.18Å; Y1083-Y1095 CarbonylContact C-O 3.56Å; Y1083-Y1095 VanDerWaalsContact CA-O 3.26Å; Y1083-Y1095 WeakPolarHBondContact CA-O 3.21Å; Y1083-Y1095 WeakPolarHBondContact CD1-O 3.45Å; Y1083-D1096 HydrophobicContact CE1-CB 4.37Å; Y1083-D1096 WeakPolarHBondContact CE1-OD1 3.43Å; Y1083-D1096 PolarHBondContact OH-OD1 2.9Å |
| 1084 | R | 92 | Very high | 83.3 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.2 | 159.6 | -165.2 | 73.2 | 171.4 | -171.6 | -3.6 | 107.9 | E1065 D1067 F1086 F1094 Y1095 V1097 F1142 | E1065-R1084 IonicContact OE1-CZ 3.78Å; E1065-R1084 IonicContact OE1-NE 2.79Å; E1065-R1084 PolarHBondContact OE1-NE 3.27Å; E1065-R1084 IonicContact OE1-NH2 3.22Å; E1065-R1084 PolarHBondContact OE1-NH2 3.38Å; D1067-R1084 WeakPolarHBondContact OD1-CD 3.32Å; D1067-R1084 IonicContact OD1-CZ 3.08Å; D1067-R1084 IonicContact OD1-NE 2.64Å; D1067-R1084 IonicContact OD1-NH1 2.75Å; D1067-R1084 PolarHBondContact OD1-NH1 2.78Å; D1067-R1084 IonicContact OD2-NH1 3.57Å; R1084-F1086 HydrophobicContact CB-CE2 4.06Å; R1084-F1086 HydrophobicContact CG-CD2 4.25Å; R1084-F1086 HydrophobicContact CG-CE1 4.5Å; R1084-F1086 HydrophobicContact CG-CE2 3.45Å; R1084-F1086 VanDerWaalsContact CG-CE2 3.45Å; R1084-F1086 HydrophobicContact CG-CZ 3.6Å; R1084-F1094 WeakPolarHBondContact O-CA 3.45Å; R1084-Y1095 PolarHBondContact N-O 2.63Å; R1084-Y1095 PolarHBondContact O-N 3.1Å; R1084-V1097 HydrophobicContact CB-CG2 3.89Å; R1084-F1142 HydrophobicContact CB-CE1 3.71Å; R1084-F1142 HydrophobicContact CB-CZ 4.2Å; R1084-F1142 HydrophobicContact CG-CE1 4.08Å; R1084-F1142 HydrophobicContact CG-CZ 4.09Å |
| 1085 | V | 92.6 | Very high | 84.8 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.4 | 175.5 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | E1065 S1066 V1068 L1092 F1093 F1094 W1206 | E1065-V1085 CarbonylContact C-O 3.58Å; E1065-V1085 WeakPolarHBondContact CA-O 3.43Å; E1065-V1085 WeakPolarHBondContact CB-O 3.02Å; S1066-V1085 PolarHBondContact N-O 3.48Å; S1066-V1085 PolarHBondContact O-N 2.95Å; V1068-V1085 HydrophobicContact CB-CG2 3.9Å; V1068-V1085 HydrophobicContact CG1-CG2 3.32Å; V1085-L1092 HydrophobicContact CG1-CB 4.35Å; V1085-L1092 HydrophobicContact CG1-CD2 4.03Å; V1085-F1093 VanDerWaalsContact CA-O 3.32Å; V1085-F1093 WeakPolarHBondContact CA-O 3.43Å; V1085-F1094 HydrophobicContact CG1-CD1 4.39Å; V1085-F1094 HydrophobicContact CG1-CE1 4.12Å; V1085-F1094 HydrophobicContact CG1-CZ 4.22Å; V1085-F1094 HydrophobicContact CG2-CD1 3.66Å; V1085-F1094 HydrophobicContact CG2-CE1 3.65Å; V1085-W1206 HydrophobicContact CB-CH2 4.44Å; V1085-W1206 HydrophobicContact CG1-CH2 4.22Å; V1085-W1206 HydrophobicContact CG1-CZ3 4.46Å |
| 1086 | F | 91.7 | Very high | 85.8 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.9 | 170.7 | -58.7 | -96.7 | 0 | 0 | 0 | 109.5 | P1007 E1065 R1084 L1092 F1093 Y1095 F1142 | P1007-F1086 HydrophobicContact CB-CD2 4.33Å; P1007-F1086 HydrophobicContact CB-CE1 4.42Å; P1007-F1086 HydrophobicContact CB-CE2 3.64Å; P1007-F1086 HydrophobicContact CB-CZ 3.69Å; P1007-F1086 HydrophobicContact CG-CE2 3.54Å; P1007-F1086 HydrophobicContact CG-CZ 3.64Å; E1065-F1086 HydrophobicContact CB-CD1 3.58Å; E1065-F1086 HydrophobicContact CB-CE1 3.85Å; E1065-F1086 HydrophobicContact CB-CG 4.27Å; E1065-F1086 HydrophobicContact CG-CD1 4.45Å; E1065-F1086 HydrophobicContact CG-CE1 4.36Å; E1065-F1086 WeakPolarHBondContact OE2-CE1 3.35Å; R1084-F1086 HydrophobicContact CB-CE2 4.06Å; R1084-F1086 HydrophobicContact CG-CD2 4.25Å; R1084-F1086 HydrophobicContact CG-CE1 4.5Å; R1084-F1086 HydrophobicContact CG-CE2 3.45Å; R1084-F1086 VanDerWaalsContact CG-CE2 3.45Å; R1084-F1086 HydrophobicContact CG-CZ 3.6Å; F1086-L1092 WeakPolarHBondContact O-CA 3.39Å; F1086-F1093 HydrophobicContact CB-CB 4.47Å; F1086-F1093 PolarHBondContact N-O 3.5Å; F1086-F1093 PolarHBondContact O-N 2.93Å; F1086-Y1095 AromaticContact CD2-CD2 3.76Å; F1086-Y1095 HydrophobicContact CD2-CD2 3.76Å; F1086-Y1095 AromaticContact CD2-CE2 3.91Å; F1086-Y1095 HydrophobicContact CD2-CE2 3.91Å; F1086-Y1095 AromaticContact CE2-CD2 3.78Å; F1086-Y1095 HydrophobicContact CE2-CD2 3.78Å; F1086-Y1095 HydrophobicContact CE2-CE2 4.13Å; F1086-F1142 HydrophobicContact CZ-CZ 4.39Å |
| 1087 | L | 90.5 | Very high | 86.7 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.1 | 169.1 | 177.5 | 57.8 | 0 | 0 | 0 | 109.2 | A1062 F1064 R1091 L1092 L1153 W1206 L1209 V1213 | A1062-L1087 WeakPolarHBondContact CA-O 3.22Å; A1062-L1087 VanDerWaalsContact CB-O 3.23Å; A1062-L1087 WeakPolarHBondContact CB-O 3.33Å; F1064-L1087 PolarHBondContact O-N 3.15Å; F1064-L1087 VanDerWaalsContact O-N 3.1Å; L1087-R1091 WeakPolarHBondContact CA-O 3.07Å; L1087-L1092 HydrophobicContact CB-CD2 4.08Å; L1087-L1092 HydrophobicContact CD1-CD2 3.87Å; L1087-L1092 HydrophobicContact CD1-CG 4.44Å; L1087-L1092 HydrophobicContact CG-CD2 4.48Å; L1087-L1153 HydrophobicContact CD1-CD1 3.65Å; L1087-W1206 HydrophobicContact CB-CH2 4.2Å; L1087-W1206 HydrophobicContact CB-CZ3 4.02Å; L1087-L1209 HydrophobicContact CD2-CD1 4.05Å; L1087-L1209 HydrophobicContact CD2-CD2 3.61Å; L1087-L1209 HydrophobicContact CD2-CG 3.62Å; L1087-V1213 HydrophobicContact CD2-CG2 4.15Å |
| 1088 | S | 87.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.3 | 179.1 | -169.9 | 0 | 0 | 0 | 0 | 110 | S1015 L1016 K1090 R1091 | S1015-S1088 WeakPolarHBondContact CA-OG 3.38Å; S1015-S1088 WeakPolarHBondContact CB-OG 3.25Å; L1016-S1088 PolarHBondContact N-OG 3.13Å; S1088-K1090 PolarHBondContact O-N 3.27Å; S1088-R1091 PolarHBondContact N-O 3.35Å; S1088-R1091 WeakPolarHBondContact O-CA 3.5Å; S1088-R1091 PolarHBondContact O-N 3.07Å |
| 1089 | D | 83.2 | Confident | 86.3 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 41.2 | 170.3 | -46.4 | -48.1 | 0 | 0 | 0 | 114.8 | S1015 R1091 | S1015-D1089 WeakPolarHBondContact CB-OD1 3.46Å; S1015-D1089 PolarHBondContact OG-OD1 2.92Å; D1089-R1091 VanDerWaalsContact C-N 3.32Å; D1089-R1091 PolarHBondContact O-N 2.93Å; D1089-R1091 PolarHBondContact O-NH1 3.04Å |
| 1090 | K | 85.7 | Confident | 84.8 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 34% | 0.335 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 25.8 | -176.7 | -52.9 | 165.5 | -178.1 | 174.1 | 0 | 114.4 | S1088 L1153 R1154 V1213 V1217 | S1088-K1090 PolarHBondContact O-N 3.27Å; K1090-L1153 VanDerWaalsContact O-CB 3.25Å; K1090-L1153 WeakPolarHBondContact O-CB 2.88Å; K1090-L1153 WeakPolarHBondContact O-CG 3.38Å; K1090-L1153 PolarHBondContact O-N 2.78Å; K1090-L1153 VanDerWaalsContact O-N 3.08Å; K1090-R1154 HydrophobicContact CB-CG 4.5Å; K1090-V1213 HydrophobicContact CG-CG1 4.46Å; K1090-V1217 HydrophobicContact CB-CG2 4.34Å; K1090-V1217 HydrophobicContact CD-CG2 4.08Å; K1090-V1217 HydrophobicContact CG-CG2 4.31Å |
| 1091 | R | 90.8 | Very high | 82.9 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149 | -178.9 | -54.2 | -177.5 | 175.7 | 88.2 | -22.1 | 112.1 | L1087 S1088 D1089 F1093 I1150 V1151 D1152 W1507 | L1087-R1091 WeakPolarHBondContact CA-O 3.07Å; S1088-R1091 PolarHBondContact N-O 3.35Å; S1088-R1091 WeakPolarHBondContact O-CA 3.5Å; S1088-R1091 PolarHBondContact O-N 3.07Å; D1089-R1091 VanDerWaalsContact C-N 3.32Å; D1089-R1091 PolarHBondContact O-N 2.93Å; D1089-R1091 PolarHBondContact O-NH1 3.04Å; R1091-F1093 HydrophobicContact CB-CD2 4.47Å; R1091-F1093 HydrophobicContact CB-CE2 3.77Å; R1091-F1093 HydrophobicContact CB-CZ 4.15Å; R1091-I1150 HydrophobicContact CB-CG2 4.39Å; R1091-V1151 CarbonylContact C-O 3.54Å; R1091-V1151 VanDerWaalsContact CA-O 3.25Å; R1091-V1151 WeakPolarHBondContact CA-O 3.38Å; R1091-V1151 WeakPolarHBondContact CB-O 2.9Å; R1091-D1152 HydrophobicContact CG-CB 4.37Å; R1091-D1152 IonicContact CZ-OD2 3.48Å; R1091-D1152 IonicContact NE-OD1 2.66Å; R1091-D1152 IonicContact NE-OD2 2.67Å; R1091-D1152 PolarHBondContact NE-OD2 3.23Å; R1091-D1152 IonicContact NH2-OD2 3.46Å; R1091-D1152 PolarHBondContact NH2-OD2 2.69Å; R1091-W1507 VanDerWaalsContact CD-CH2 3.47Å; R1091-W1507 VanDerWaalsContact CD-CZ2 3.43Å; R1091-W1507 VanDerWaalsContact NH2-CG 3.28Å; R1091-W1507 PolarHBondContact NH2-O 2.89Å |
| 1092 | L | 92.3 | Very high | 80.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.8 | 172.4 | -63.1 | 168.6 | 0 | 0 | 0 | 109.8 | V1085 F1086 L1087 F1094 I1150 V1151 L1153 W1206 I1210 | V1085-L1092 HydrophobicContact CG1-CB 4.35Å; V1085-L1092 HydrophobicContact CG1-CD2 4.03Å; F1086-L1092 WeakPolarHBondContact O-CA 3.39Å; L1087-L1092 HydrophobicContact CB-CD2 4.08Å; L1087-L1092 HydrophobicContact CD1-CD2 3.87Å; L1087-L1092 HydrophobicContact CD1-CG 4.44Å; L1087-L1092 HydrophobicContact CG-CD2 4.48Å; L1092-F1094 HydrophobicContact CB-CD2 4.47Å; L1092-F1094 HydrophobicContact CB-CE2 3.69Å; L1092-F1094 HydrophobicContact CB-CZ 4.22Å; L1092-F1094 HydrophobicContact CD1-CZ 4.43Å; L1092-I1150 CarbonylContact O-C 3.55Å; L1092-I1150 WeakPolarHBondContact O-CA 3.37Å; L1092-V1151 HydrophobicContact CB-CB 4.31Å; L1092-V1151 PolarHBondContact N-O 3.38Å; L1092-V1151 PolarHBondContact O-N 3.29Å; L1092-L1153 HydrophobicContact CD1-CD2 4.08Å; L1092-L1153 HydrophobicContact CG-CD2 4.21Å; L1092-W1206 HydrophobicContact CD2-CZ3 3.75Å; L1092-I1210 HydrophobicContact CD1-CD1 4.26Å |
| 1093 | F | 92.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.8 | 176.8 | -61.5 | -100.8 | 0 | 0 | 0 | 109.3 | L1016 L1018 V1085 F1086 R1091 Y1095 P1147 I1150 W1507 | L1016-F1093 HydrophobicContact CD2-CB 4.34Å; L1016-F1093 HydrophobicContact CD2-CD1 4.4Å; L1016-F1093 HydrophobicContact CD2-CD2 4.42Å; L1016-F1093 HydrophobicContact CD2-CG 4.15Å; L1018-F1093 HydrophobicContact CD1-CE1 3.77Å; L1018-F1093 HydrophobicContact CD1-CZ 3.76Å; L1018-F1093 HydrophobicContact CD2-CD1 3.96Å; L1018-F1093 HydrophobicContact CD2-CE1 3.59Å; L1018-F1093 HydrophobicContact CD2-CZ 4.26Å; L1018-F1093 HydrophobicContact CG-CE1 4.34Å; V1085-F1093 VanDerWaalsContact CA-O 3.32Å; V1085-F1093 WeakPolarHBondContact CA-O 3.43Å; F1086-F1093 HydrophobicContact CB-CB 4.47Å; F1086-F1093 PolarHBondContact N-O 3.5Å; F1086-F1093 PolarHBondContact O-N 2.93Å; R1091-F1093 HydrophobicContact CB-CD2 4.47Å; R1091-F1093 HydrophobicContact CB-CE2 3.77Å; R1091-F1093 HydrophobicContact CB-CZ 4.15Å; F1093-Y1095 HydrophobicContact CB-CD2 4.45Å; F1093-Y1095 HydrophobicContact CB-CE2 3.85Å; F1093-P1147 HydrophobicContact CB-CB 4.44Å; F1093-P1147 HydrophobicContact CD1-CB 4.34Å; F1093-P1147 HydrophobicContact CD1-CG 4.2Å; F1093-I1150 HydrophobicContact CD1-CD1 4.4Å; F1093-I1150 HydrophobicContact CD1-CG1 3.92Å; F1093-I1150 HydrophobicContact CD1-CG2 4.28Å; F1093-I1150 HydrophobicContact CE1-CD1 4.18Å; F1093-I1150 HydrophobicContact CE1-CG1 4.11Å; F1093-I1150 HydrophobicContact CE1-CG2 4.02Å; F1093-I1150 HydrophobicContact CZ-CG2 4.38Å; F1093-W1507 AromaticContact CE1-CH2 3.71Å; F1093-W1507 HydrophobicContact CE1-CH2 3.71Å; F1093-W1507 HydrophobicContact CE1-CZ3 4.07Å; F1093-W1507 AromaticContact CZ-CH2 3.63Å; F1093-W1507 HydrophobicContact CZ-CH2 3.63Å; F1093-W1507 AromaticContact CZ-CZ3 3.75Å; F1093-W1507 HydrophobicContact CZ-CZ3 3.75Å |
| 1094 | F | 92 | Very high | 75.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.1 | -179.4 | -63.4 | -100.3 | 0 | 0 | 0 | 109.5 | M1070 Y1083 R1084 V1085 L1092 P1147 S1148 R1149 V1151 L1195 | M1070-F1094 HydrophobicContact SD-CD1 3.62Å; M1070-F1094 HydrophobicContact SD-CE1 3.76Å; Y1083-F1094 HydrophobicContact CD1-CB 4.18Å; R1084-F1094 WeakPolarHBondContact O-CA 3.45Å; V1085-F1094 HydrophobicContact CG1-CD1 4.39Å; V1085-F1094 HydrophobicContact CG1-CE1 4.12Å; V1085-F1094 HydrophobicContact CG1-CZ 4.22Å; V1085-F1094 HydrophobicContact CG2-CD1 3.66Å; V1085-F1094 HydrophobicContact CG2-CE1 3.65Å; L1092-F1094 HydrophobicContact CB-CD2 4.47Å; L1092-F1094 HydrophobicContact CB-CE2 3.69Å; L1092-F1094 HydrophobicContact CB-CZ 4.22Å; L1092-F1094 HydrophobicContact CD1-CZ 4.43Å; F1094-P1147 CarbonylContact O-C 3.54Å; F1094-P1147 WeakPolarHBondContact O-CA 3.2Å; F1094-S1148 PolarHBondContact O-N 2.82Å; F1094-R1149 HydrophobicContact CB-CB 4.24Å; F1094-R1149 HydrophobicContact CD2-CB 4.11Å; F1094-R1149 HydrophobicContact CG-CB 4.45Å; F1094-R1149 PolarHBondContact N-O 2.83Å; F1094-R1149 PolarHBondContact O-N 3.31Å; F1094-V1151 HydrophobicContact CE2-CB 4.36Å; F1094-V1151 HydrophobicContact CE2-CG2 3.9Å; F1094-L1195 HydrophobicContact CE1-CD1 4.42Å; F1094-L1195 HydrophobicContact CE1-CD2 3.8Å; F1094-L1195 HydrophobicContact CZ-CD1 4.37Å; F1094-L1195 HydrophobicContact CZ-CD2 4.29Å |
| 1095 | Y | 90.5 | Very high | 72.5 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.8 | 177.5 | -70.7 | -98 | 0 | 0 | 0 | 110.4 | P1007 L1016 Y1083 R1084 F1086 F1093 F1142 N1145 P1147 | P1007-Y1095 HydrophobicContact CB-CD2 4.33Å; P1007-Y1095 HydrophobicContact CB-CE1 4.14Å; P1007-Y1095 HydrophobicContact CB-CE2 3.88Å; P1007-Y1095 HydrophobicContact CG-CD1 4.06Å; P1007-Y1095 HydrophobicContact CG-CD2 4.15Å; P1007-Y1095 HydrophobicContact CG-CE1 4.09Å; P1007-Y1095 HydrophobicContact CG-CE2 4.18Å; P1007-Y1095 HydrophobicContact CG-CG 4.1Å; L1016-Y1095 HydrophobicContact CD2-CE2 4.11Å; Y1083-Y1095 CarbonylContact C-O 3.56Å; Y1083-Y1095 VanDerWaalsContact CA-O 3.26Å; Y1083-Y1095 WeakPolarHBondContact CA-O 3.21Å; Y1083-Y1095 WeakPolarHBondContact CD1-O 3.45Å; R1084-Y1095 PolarHBondContact N-O 2.63Å; R1084-Y1095 PolarHBondContact O-N 3.1Å; F1086-Y1095 AromaticContact CD2-CD2 3.76Å; F1086-Y1095 HydrophobicContact CD2-CD2 3.76Å; F1086-Y1095 AromaticContact CD2-CE2 3.91Å; F1086-Y1095 HydrophobicContact CD2-CE2 3.91Å; F1086-Y1095 AromaticContact CE2-CD2 3.78Å; F1086-Y1095 HydrophobicContact CE2-CD2 3.78Å; F1086-Y1095 HydrophobicContact CE2-CE2 4.13Å; F1093-Y1095 HydrophobicContact CB-CD2 4.45Å; F1093-Y1095 HydrophobicContact CB-CE2 3.85Å; Y1095-F1142 HydrophobicContact CG-CD1 4.46Å; Y1095-N1145 WeakPolarHBondContact CE1-O 3.19Å; Y1095-P1147 HydrophobicContact CD1-CB 4.5Å; Y1095-P1147 HydrophobicContact CD2-CB 4.36Å; Y1095-P1147 HydrophobicContact CE1-CB 4.1Å; Y1095-P1147 HydrophobicContact CE2-CB 3.94Å |
| 1096 | D | 87.1 | Confident | 69.8 | Low | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.1 | 172.7 | -67.8 | -73.7 | 0 | 0 | 0 | 110.8 | Y1083 S1148 | Y1083-D1096 HydrophobicContact CE1-CB 4.37Å; Y1083-D1096 WeakPolarHBondContact CE1-OD1 3.43Å; Y1083-D1096 PolarHBondContact OH-OD1 2.9Å; D1096-S1148 PolarHBondContact N-OG 3.46Å; D1096-S1148 VanDerWaalsContact N-OG 3.16Å; D1096-S1148 WeakPolarHBondContact OD2-CB 3.41Å; D1096-S1148 PolarHBondContact OD2-OG 3.3Å |
| 1097 | V | 82.7 | Confident | 66.9 | Low | 14 Ų | 14 | 66 Ų | 66 | 9% | 0.085 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.2 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | K1082 R1084 S1099 F1142 | K1082-V1097 HydrophobicContact CD-CB 4.44Å; K1082-V1097 HydrophobicContact CD-CG1 4.3Å; K1082-V1097 HydrophobicContact CG-CB 4.48Å; K1082-V1097 PolarHBondContact O-N 2.92Å; R1084-V1097 HydrophobicContact CB-CG2 3.89Å; V1097-S1099 PolarHBondContact O-N 3.09Å; V1097-F1142 HydrophobicContact CG2-CE1 4.4Å |
| 1098 | V | 74.5 | Confident | 63.8 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.7 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | M1141 Q1143 | V1098-M1141 HydrophobicContact CB-CB 4.41Å; V1098-M1141 PolarHBondContact N-O 3.43Å; V1098-Q1143 HydrophobicContact CG2-CB 4.32Å |
| 1099 | S | 58.7 | Low | 61 | Low | 64 Ų | 64 | 73 Ų | 73 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -115.2 | 115.2 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | V1097 S1101 | V1097-S1099 PolarHBondContact O-N 3.09Å; S1099-S1101 PolarHBondContact O-N 2.85Å | ||
| 1100 | E | 45.8 | Very low | 58.3 | Low | 155 Ų | 155 | 76.1 Ų | 76.1 | 72% | 0.724 | 50% | 0.495 | S | S | * | . | trans | -66.1 | -0.9 | -170.5 | -59.9 | -179.8 | 121.7 | 0 | 0 | 115 | S1102 | E1100-S1102 PolarHBondContact O-N 3.26Š| ||
| 1101 | S | 42.9 | Very low | 55.6 | Low | 119 Ų | 119 | 75.9 Ų | 75.9 | 83% | 0.832 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | -158.7 | -41.6 | 0 | 0 | 0 | 0 | 116.9 | S1099 | S1099-S1101 PolarHBondContact O-N 2.85Š|
| 1102 | S | 37.1 | Very low | 52.6 | Low | 92 Ų | 92 | 82.6 Ų | 82.6 | 64% | 0.643 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -21.2 | -168.4 | 57.7 | 0 | 0 | 0 | 0 | 117 | E1100 | E1100-S1102 PolarHBondContact O-N 3.26Š|
| 1103 | N | 34.6 | Very low | 49.4 | Very low | 132 Ų | 132 | 87.8 Ų | 87.8 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -108.1 | -13.1 | -162.6 | -68.9 | 22.5 | 0 | 0 | 0 | 115.4 | ||
| 1104 | I | 36.4 | Very low | 46.3 | Very low | 158 Ų | 158 | 95.9 Ų | 95.9 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -84.9 | -18.8 | -173.8 | -62.3 | 177.8 | 0 | 0 | 0 | 112.7 | A1106 | I1104-A1106 PolarHBondContact O-N 2.77Š|
| 1105 | A | 34.1 | Very low | 43.2 | Very low | 105 Ų | 105 | 100.6 Ų | 100.6 | 87% | 0.868 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -80.7 | -6.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1106 | A | 35.9 | Very low | 40.2 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -102.1 | -13.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116 | I1104 | I1104-A1106 PolarHBondContact O-N 2.77Š|
| 1107 | L | 29.6 | Very low | 37.4 | Very low | 164 Ų | 164 | 109.6 Ų | 109.6 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -129.2 | 63.5 | -172.1 | -71.3 | 174.1 | 0 | 0 | 0 | 112.8 | G1109 | L1107-G1109 PolarHBondContact O-N 3.5Š| ||
| 1108 | G | 25.7 | Very low | 34.7 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 98% | 0.979 | 76% | 0.761 | S | S | * | * | trans | -74.6 | 62.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1109 | G | 28.2 | Very low | 32.4 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -121.4 | 120.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L1107 | L1107-G1109 PolarHBondContact O-N 3.5Š| ||
| 1110 | S | 27.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 92% | 0.923 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 139.1 | -177.9 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1111 | G | 27.9 | Very low | 29.7 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 167 | 35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1112 | N | 27.8 | Very low | 28.7 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 7.1 | 141.2 | 165.6 | -69.3 | -11.8 | 0 | 0 | 0 | 122.7 | ||||
| 1113 | S | 26.6 | Very low | 28.3 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 75.5 | 148.2 | 162 | 80.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1114 | L | 27.8 | Very low | 27.8 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | cis | -117.9 | 153.3 | 12.9 | -72.6 | 157.8 | 0 | 0 | 0 | 113.1 | ||||
| 1115 | S | 25.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -125.2 | 124.2 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1116 | P | 28.8 | Very low | 26.7 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 116.1 | 168.5 | 31.8 | -29.8 | 0 | 0 | 0 | 110.4 | ||||
| 1117 | T | 26.4 | Very low | 26.4 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 68% | 0.681 | 82% | 0.816 | S | S | * | * | trans | -76.4 | 127.2 | -173.9 | -47.1 | 0 | 0 | 0 | 0 | 112.5 | Q1119 | T1117-Q1119 HydrophobicContact CG2-CG 3.99Š| ||
| 1118 | F | 26.2 | Very low | 26.1 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -105.7 | 121.9 | 153.6 | -101.6 | -87.9 | 0 | 0 | 0 | 109.4 | N1120 | F1118-N1120 PolarHBondContact O-N 2.74Š| ||
| 1119 | Q | 26 | Very low | 26.3 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -83.7 | 112.6 | -171.2 | -67.4 | 174 | -40.2 | 0 | 0 | 111.1 | T1117 | T1117-Q1119 HydrophobicContact CG2-CG 3.99Š| ||
| 1120 | N | 26.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 132.1 | 162.9 | -84.3 | -39.5 | 0 | 0 | 0 | 109.6 | F1118 | F1118-N1120 PolarHBondContact O-N 2.74Š|
| 1121 | F | 23.3 | Very low | 25.9 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143 | 177.9 | -100.9 | -104.4 | 0 | 0 | 0 | 112.1 | ||
| 1122 | H | 21.1 | Very low | 25.8 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.6 | 177.9 | -82 | -115.6 | 0 | 0 | 0 | 112.3 | ||
| 1123 | L | 28.5 | Very low | 25.8 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -128.9 | 142.6 | 151 | -95.1 | 164.4 | 0 | 0 | 0 | 108.5 | ||||
| 1124 | S | 24.7 | Very low | 25.8 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -114.7 | 136.7 | -146.8 | 55.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1125 | N | 23.5 | Very low | 25.7 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 53.8 | 117.9 | 147.1 | -74.6 | 1.5 | 0 | 0 | 0 | 121 | ||||
| 1126 | S | 23.1 | Very low | 25.8 | Very low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 58.2 | 121.3 | 132.9 | 66.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1127 | H | 29.7 | Very low | 26 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | -151.4 | 144.9 | 111.4 | -98.5 | -71.6 | 0 | 0 | 0 | 110.2 | |||||
| 1128 | N | 24.4 | Very low | 26.6 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -83.1 | 128.2 | -179.3 | -68.9 | -27.5 | 0 | 0 | 0 | 111.4 | ||||
| 1129 | V | 29.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -138 | 137.2 | 158.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1130 | S | 23.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -96.7 | 133.1 | -169 | -57 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1131 | L | 24 | Very low | 31.4 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | 24.8 | 102.9 | 144 | -70.6 | 163.1 | 0 | 0 | 0 | 118.5 | ||||
| 1132 | S | 24.9 | Very low | 34 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -157.8 | 153.6 | 140.1 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1133 | S | 27.2 | Very low | 36.3 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | 54.2 | 112.1 | -178.9 | 49.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1134 | L | 26.5 | Very low | 38.6 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -77.4 | 127.4 | 174 | -66.7 | 80.8 | 0 | 0 | 0 | 110.5 | ||||
| 1135 | N | 27.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 115.9 Ų | 115.9 | 87% | 0.866 | 66% | 0.663 | S | S | * | * | trans | -136.6 | 70.5 | 155.1 | -135.3 | -3 | 0 | 0 | 0 | 108.5 | S1137 | N1135-S1137 VanDerWaalsContact C-N 3.3Å; N1135-S1137 PolarHBondContact O-N 3.44Å | ||
| 1136 | T | 27.3 | Very low | 44.4 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -70.1 | 86.5 | 178.6 | 45.6 | 0 | 0 | 0 | 0 | 110 | T1138 | T1136-T1138 VanDerWaalsContact C-N 3.33Å; T1136-T1138 PolarHBondContact O-N 2.76Å | ||
| 1137 | S | 33.5 | Very low | 47.6 | Very low | 103 Ų | 103 | 105 Ų | 105 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | trans | -63 | 93.1 | 167.2 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | N1135 N1139 | N1135-S1137 VanDerWaalsContact C-N 3.3Å; N1135-S1137 PolarHBondContact O-N 3.44Å; S1137-N1139 PolarHBondContact O-N 2.69Å | ||
| 1138 | T | 38.6 | Very low | 50.3 | Low | 100 Ų | 100 | 97.9 Ų | 97.9 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | trans | -62.1 | 105.1 | 173.6 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | T1136 S1140 | T1136-T1138 VanDerWaalsContact C-N 3.33Å; T1136-T1138 PolarHBondContact O-N 2.76Å; T1138-S1140 PolarHBondContact O-N 2.66Å; T1138-S1140 PolarHBondContact O-OG 3.49Å; T1138-S1140 VanDerWaalsContact O-OG 3.08Å | ||
| 1139 | N | 51 | Low | 53.4 | Low | 152 Ų | 152 | 94.3 Ų | 94.3 | 81% | 0.813 | 54% | 0.544 | S | S | * | . | trans | -55.6 | 103.5 | 179.1 | -95.1 | -12.8 | 0 | 0 | 0 | 109 | S1137 M1141 | S1137-N1139 PolarHBondContact O-N 2.69Å; N1139-M1141 PolarHBondContact O-N 2.66Å | ||
| 1140 | S | 57 | Low | 56.3 | Low | 24 Ų | 24 | 87.5 Ų | 87.5 | 17% | 0.168 | 50% | 0.503 | C | S | . | . | trans | -82.7 | 102.4 | -173.7 | -64 | 0 | 0 | 0 | 0 | 107.8 | T1138 F1142 | T1138-S1140 PolarHBondContact O-N 2.66Å; T1138-S1140 PolarHBondContact O-OG 3.49Å; T1138-S1140 VanDerWaalsContact O-OG 3.08Å; S1140-F1142 WeakPolarHBondContact O-CD2 3.33Å; S1140-F1142 WeakPolarHBondContact O-CE2 3.1Å; S1140-F1142 PolarHBondContact O-N 3.14Å | ||
| 1141 | M | 71.6 | Confident | 59.4 | Low | 118 Ų | 118 | 82.5 Ų | 82.5 | 58% | 0.581 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 104.7 | 179.5 | -69.9 | -162.2 | 74.1 | 0 | 0 | 110.2 | V1098 N1139 | V1098-M1141 HydrophobicContact CB-CB 4.41Å; V1098-M1141 PolarHBondContact N-O 3.43Å; N1139-M1141 PolarHBondContact O-N 2.66Å |
| 1142 | F | 77.9 | Confident | 62.5 | Low | 40 Ų | 40 | 74.1 Ų | 74.1 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 136.5 | 171 | -62.7 | -80.8 | 0 | 0 | 0 | 110 | Q1006 P1007 R1084 F1086 Y1095 V1097 S1140 S1144 | Q1006-F1142 HydrophobicContact CB-CB 4.32Å; Q1006-F1142 HydrophobicContact CB-CD2 3.61Å; Q1006-F1142 HydrophobicContact CB-CE2 4.27Å; Q1006-F1142 HydrophobicContact CB-CG 4.19Å; P1007-F1142 HydrophobicContact CG-CD1 3.87Å; P1007-F1142 HydrophobicContact CG-CD2 4.34Å; P1007-F1142 HydrophobicContact CG-CE1 3.56Å; P1007-F1142 HydrophobicContact CG-CE2 4.07Å; P1007-F1142 HydrophobicContact CG-CG 4.24Å; P1007-F1142 HydrophobicContact CG-CZ 3.67Å; R1084-F1142 HydrophobicContact CB-CE1 3.71Å; R1084-F1142 HydrophobicContact CB-CZ 4.2Å; R1084-F1142 HydrophobicContact CG-CE1 4.08Å; R1084-F1142 HydrophobicContact CG-CZ 4.09Å; F1086-F1142 HydrophobicContact CZ-CZ 4.39Å; Y1095-F1142 HydrophobicContact CG-CD1 4.46Å; V1097-F1142 HydrophobicContact CG2-CE1 4.4Å; S1140-F1142 WeakPolarHBondContact O-CD2 3.33Å; S1140-F1142 WeakPolarHBondContact O-CE2 3.1Å; S1140-F1142 PolarHBondContact O-N 3.14Å; F1142-S1144 VanDerWaalsContact C-N 3.34Å |
| 1143 | Q | 69.3 | Low | 65.5 | Low | 154 Ų | 154 | 69.1 Ų | 69.1 | 72% | 0.72 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -74.1 | -26.7 | 176.7 | -168 | 174.3 | 1.8 | 0 | 0 | 112.5 | V1098 | V1098-Q1143 HydrophobicContact CG2-CB 4.32Š|
| 1144 | S | 76.8 | Confident | 68.1 | Low | 55 Ų | 55 | 66.3 Ų | 66.3 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | trans | -164 | 174.8 | 171.2 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | L1005 F1142 S1146 | L1005-S1144 CarbonylContact O-C 3.48Å; F1142-S1144 VanDerWaalsContact C-N 3.34Å; S1144-S1146 VanDerWaalsContact C-N 3.32Å; S1144-S1146 WeakPolarHBondContact OG-CB 3.49Å; S1144-S1146 PolarHBondContact OG-N 3.41Å; S1144-S1146 PolarHBondContact OG-O 3.01Å | ||
| 1145 | N | 83.2 | Confident | 70.7 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -87 | 6.1 | 167.3 | -161 | 18.8 | 0 | 0 | 0 | 113.7 | F1004 L1005 Q1006 P1007 Q1023 Y1095 | F1004-N1145 VanDerWaalsContact O-CB 3.3Å; F1004-N1145 WeakPolarHBondContact O-CB 3.5Å; F1004-N1145 PolarHBondContact O-ND2 2.96Å; L1005-N1145 PolarHBondContact O-N 3.05Å; Q1006-N1145 VanDerWaalsContact C-OD1 3.28Å; Q1006-N1145 PolarHBondContact O-OD1 3.28Å; P1007-N1145 VanDerWaalsContact CA-OD1 3.29Å; P1007-N1145 WeakPolarHBondContact CA-OD1 3.43Å; P1007-N1145 VanDerWaalsContact N-OD1 3.14Å; Q1023-N1145 PolarHBondContact NE2-ND2 2.84Å; Q1023-N1145 VanDerWaalsContact NE2-ND2 3.1Å; Y1095-N1145 WeakPolarHBondContact CE1-O 3.19Å |
| 1146 | S | 87.3 | Confident | 73 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.4 | 125.3 | 167.1 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | S1144 A1474 K1475 | S1144-S1146 VanDerWaalsContact C-N 3.32Å; S1144-S1146 WeakPolarHBondContact OG-CB 3.49Å; S1144-S1146 PolarHBondContact OG-N 3.41Å; S1144-S1146 PolarHBondContact OG-O 3.01Å; S1146-A1474 WeakPolarHBondContact OG-CA 3.32Å; S1146-K1475 PolarHBondContact OG-N 2.86Å; S1146-K1475 VanDerWaalsContact OG-N 3.11Å |
| 1147 | P | 89.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | trans | -68.4 | 139.5 | 171.2 | 30.4 | -33.4 | 0 | 0 | 0 | 109.6 | F1093 F1094 Y1095 R1149 I1150 P1473 A1474 A1495 | F1093-P1147 HydrophobicContact CB-CB 4.44Å; F1093-P1147 HydrophobicContact CD1-CB 4.34Å; F1093-P1147 HydrophobicContact CD1-CG 4.2Å; F1094-P1147 CarbonylContact O-C 3.54Å; F1094-P1147 WeakPolarHBondContact O-CA 3.2Å; Y1095-P1147 HydrophobicContact CD1-CB 4.5Å; Y1095-P1147 HydrophobicContact CD2-CB 4.36Å; Y1095-P1147 HydrophobicContact CE1-CB 4.1Å; Y1095-P1147 HydrophobicContact CE2-CB 3.94Å; P1147-R1149 VanDerWaalsContact C-N 3.34Å; P1147-I1150 HydrophobicContact CB-CG1 4.2Å; P1147-I1150 HydrophobicContact CG-CD1 3.87Å; P1147-I1150 HydrophobicContact CG-CG1 3.67Å; P1147-P1473 WeakPolarHBondContact CD-O 3.48Å; P1147-A1474 HydrophobicContact CG-CB 4.11Å; P1147-A1495 WeakPolarHBondContact O-CB 3.28Å | ||
| 1148 | S | 86.7 | Confident | 78.1 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -73 | -28.8 | 178 | -32.3 | 0 | 0 | 0 | 0 | 112 | F1094 D1096 | F1094-S1148 PolarHBondContact O-N 2.82Å; D1096-S1148 PolarHBondContact N-OG 3.46Å; D1096-S1148 VanDerWaalsContact N-OG 3.16Å; D1096-S1148 WeakPolarHBondContact OD2-CB 3.41Å; D1096-S1148 PolarHBondContact OD2-OG 3.3Å |
| 1149 | R | 87.7 | Confident | 80.4 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 149.4 | 167.8 | -68.3 | -168.3 | -176.8 | -133.6 | 6.2 | 111 | F1094 P1147 | F1094-R1149 HydrophobicContact CB-CB 4.24Å; F1094-R1149 HydrophobicContact CD2-CB 4.11Å; F1094-R1149 HydrophobicContact CG-CB 4.45Å; F1094-R1149 PolarHBondContact N-O 2.83Å; F1094-R1149 PolarHBondContact O-N 3.31Å; P1147-R1149 VanDerWaalsContact C-N 3.34Å |
| 1150 | I | 90.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.2 | 168.2 | -55.3 | 169.9 | 0 | 0 | 0 | 107.2 | R1091 L1092 F1093 P1147 P1473 A1474 A1495 W1507 T1510 S1512 | R1091-I1150 HydrophobicContact CB-CG2 4.39Å; L1092-I1150 CarbonylContact O-C 3.55Å; L1092-I1150 WeakPolarHBondContact O-CA 3.37Å; F1093-I1150 HydrophobicContact CD1-CD1 4.4Å; F1093-I1150 HydrophobicContact CD1-CG1 3.92Å; F1093-I1150 HydrophobicContact CD1-CG2 4.28Å; F1093-I1150 HydrophobicContact CE1-CD1 4.18Å; F1093-I1150 HydrophobicContact CE1-CG1 4.11Å; F1093-I1150 HydrophobicContact CE1-CG2 4.02Å; F1093-I1150 HydrophobicContact CZ-CG2 4.38Å; P1147-I1150 HydrophobicContact CB-CG1 4.2Å; P1147-I1150 HydrophobicContact CG-CD1 3.87Å; P1147-I1150 HydrophobicContact CG-CG1 3.67Å; I1150-P1473 HydrophobicContact CD1-CB 3.86Å; I1150-P1473 HydrophobicContact CD1-CG 3.82Å; I1150-A1474 HydrophobicContact CD1-CB 4.37Å; I1150-A1495 HydrophobicContact CD1-CB 4.35Å; I1150-A1495 HydrophobicContact CG1-CB 4.2Å; I1150-W1507 HydrophobicContact CD1-CH2 4.2Å; I1150-W1507 HydrophobicContact CD1-CZ2 4.41Å; I1150-W1507 HydrophobicContact CG2-CH2 3.92Å; I1150-W1507 HydrophobicContact CG2-CZ2 3.98Å; I1150-T1510 HydrophobicContact CB-CG2 4.46Å; I1150-T1510 HydrophobicContact CG2-CG2 4.38Å; I1150-S1512 WeakPolarHBondContact O-CB 3.23Å; I1150-S1512 PolarHBondContact O-OG 3.18Å |
| 1151 | V | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.2 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | R1091 L1092 F1094 F1158 V1184 L1193 S1512 | R1091-V1151 CarbonylContact C-O 3.54Å; R1091-V1151 VanDerWaalsContact CA-O 3.25Å; R1091-V1151 WeakPolarHBondContact CA-O 3.38Å; R1091-V1151 WeakPolarHBondContact CB-O 2.9Å; L1092-V1151 HydrophobicContact CB-CB 4.31Å; L1092-V1151 PolarHBondContact N-O 3.38Å; L1092-V1151 PolarHBondContact O-N 3.29Å; F1094-V1151 HydrophobicContact CE2-CB 4.36Å; F1094-V1151 HydrophobicContact CE2-CG2 3.9Å; V1151-F1158 HydrophobicContact CG1-CD2 3.93Å; V1151-F1158 HydrophobicContact CG1-CE2 3.59Å; V1151-V1184 HydrophobicContact CG1-CG1 4.13Å; V1151-V1184 HydrophobicContact CG1-CG2 4.41Å; V1151-V1184 HydrophobicContact CG2-CG1 4.25Å; V1151-V1184 HydrophobicContact CG2-CG2 4.24Å; V1151-L1193 HydrophobicContact CG2-CD1 4.2Å; V1151-S1512 WeakPolarHBondContact CA-OG 3.27Å |
| 1152 | D | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.4 | -179.3 | -153.9 | -43.9 | 0 | 0 | 0 | 111.4 | R1091 R1154 S1155 T1510 | R1091-D1152 HydrophobicContact CG-CB 4.37Å; R1091-D1152 IonicContact CZ-OD2 3.48Å; R1091-D1152 IonicContact NE-OD1 2.66Å; R1091-D1152 IonicContact NE-OD2 2.67Å; R1091-D1152 PolarHBondContact NE-OD2 3.23Å; R1091-D1152 IonicContact NH2-OD2 3.46Å; R1091-D1152 PolarHBondContact NH2-OD2 2.69Å; D1152-R1154 PolarHBondContact O-N 3.3Å; D1152-R1154 VanDerWaalsContact O-N 3.09Å; D1152-R1154 WeakPolarHBondContact OD1-CB 3.35Å; D1152-R1154 IonicContact OD1-CZ 3.17Å; D1152-R1154 PolarHBondContact OD1-N 3.47Å; D1152-R1154 IonicContact OD1-NE 3.78Å; D1152-R1154 PolarHBondContact OD1-NE 3.03Å; D1152-R1154 IonicContact OD1-NH2 2.73Å; D1152-R1154 PolarHBondContact OD1-NH2 3.27Å; D1152-R1154 IonicContact OD2-CZ 3.64Å; D1152-R1154 IonicContact OD2-NE 2.82Å; D1152-R1154 IonicContact OD2-NH2 2.71Å; D1152-R1154 PolarHBondContact OD2-NH2 2.71Å; D1152-S1155 PolarHBondContact O-N 3.24Å; D1152-S1155 PolarHBondContact O-OG 3.16Å; D1152-T1510 PolarHBondContact OD2-N 2.86Å |
| 1153 | L | 87.7 | Confident | 85.7 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2 | -179.8 | -55.3 | 178.3 | 0 | 0 | 0 | 112.9 | L1087 K1090 L1092 F1158 I1210 V1213 L1214 | L1087-L1153 HydrophobicContact CD1-CD1 3.65Å; K1090-L1153 VanDerWaalsContact O-CB 3.25Å; K1090-L1153 WeakPolarHBondContact O-CB 2.88Å; K1090-L1153 WeakPolarHBondContact O-CG 3.38Å; K1090-L1153 PolarHBondContact O-N 2.78Å; K1090-L1153 VanDerWaalsContact O-N 3.08Å; L1092-L1153 HydrophobicContact CD1-CD2 4.08Å; L1092-L1153 HydrophobicContact CG-CD2 4.21Å; L1153-F1158 HydrophobicContact CD2-CD1 4.12Å; L1153-F1158 HydrophobicContact CD2-CD2 4Å; L1153-F1158 HydrophobicContact CD2-CE1 3.64Å; L1153-F1158 HydrophobicContact CD2-CE2 3.49Å; L1153-F1158 VanDerWaalsContact CD2-CE2 3.49Å; L1153-F1158 HydrophobicContact CD2-CG 4.3Å; L1153-F1158 HydrophobicContact CD2-CZ 3.28Å; L1153-I1210 HydrophobicContact CD2-CG2 4.25Å; L1153-V1213 HydrophobicContact CD1-CB 4.19Å; L1153-V1213 HydrophobicContact CD1-CG1 3.64Å; L1153-L1214 HydrophobicContact CB-CD2 4.33Å; L1153-L1214 WeakPolarHBondContact O-CD2 3.32Å |
| 1154 | R | 83.5 | Confident | 86.4 | Confident | 58 Ų | 58 | 32 Ų | 32 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 3.5 | 177.1 | -51.5 | 170.1 | -62.1 | 131.1 | 18.8 | 112.5 | K1090 D1152 V1217 V1508 | K1090-R1154 HydrophobicContact CB-CG 4.5Å; D1152-R1154 PolarHBondContact O-N 3.3Å; D1152-R1154 VanDerWaalsContact O-N 3.09Å; D1152-R1154 WeakPolarHBondContact OD1-CB 3.35Å; D1152-R1154 IonicContact OD1-CZ 3.17Å; D1152-R1154 PolarHBondContact OD1-N 3.47Å; D1152-R1154 IonicContact OD1-NE 3.78Å; D1152-R1154 PolarHBondContact OD1-NE 3.03Å; D1152-R1154 IonicContact OD1-NH2 2.73Å; D1152-R1154 PolarHBondContact OD1-NH2 3.27Å; D1152-R1154 IonicContact OD2-CZ 3.64Å; D1152-R1154 IonicContact OD2-NE 2.82Å; D1152-R1154 IonicContact OD2-NH2 2.71Å; D1152-R1154 PolarHBondContact OD2-NH2 2.71Å; R1154-V1217 HydrophobicContact CB-CG1 4.2Å; R1154-V1217 HydrophobicContact CG-CB 4.41Å; R1154-V1217 HydrophobicContact CG-CG1 3.74Å; R1154-V1217 HydrophobicContact CG-CG2 3.74Å; R1154-V1508 VanDerWaalsContact CZ-O 3.24Å; R1154-V1508 PolarHBondContact NH1-O 2.99Å; R1154-V1508 PolarHBondContact NH2-O 3.11Å |
| 1155 | S | 80.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -63 | 146.2 | 173.1 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | D1152 G1157 F1158 V1184 | D1152-S1155 PolarHBondContact O-N 3.24Å; D1152-S1155 PolarHBondContact O-OG 3.16Å; S1155-G1157 PolarHBondContact O-N 3.01Å; S1155-F1158 PolarHBondContact O-N 2.88Å; S1155-F1158 WeakPolarHBondContact OG-CB 3.04Å; S1155-V1184 PolarHBondContact OG-O 3.04Å |
| 1156 | S | 75.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 128.3 | 169.3 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | D1185 D1186 | S1156-D1185 CarbonylContact O-C 3.55Å; S1156-D1185 WeakPolarHBondContact O-CA 3.45Å; S1156-D1186 PolarHBondContact O-N 2.92Å |
| 1157 | G | 79.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 38 Ų | 38 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | S1155 S1159 D1186 | S1155-G1157 PolarHBondContact O-N 3.01Å; G1157-S1159 PolarHBondContact O-N 2.89Å; G1157-S1159 VanDerWaalsContact O-N 3.11Å; G1157-D1186 WeakPolarHBondContact CA-OD2 3.46Å |
| 1158 | F | 87.4 | Confident | 85.6 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | trans | -56.1 | 125 | 172.1 | -173.1 | -81.7 | 0 | 0 | 0 | 110 | V1151 L1153 S1155 V1160 V1182 V1183 I1210 L1214 | V1151-F1158 HydrophobicContact CG1-CD2 3.93Å; V1151-F1158 HydrophobicContact CG1-CE2 3.59Å; L1153-F1158 HydrophobicContact CD2-CD1 4.12Å; L1153-F1158 HydrophobicContact CD2-CD2 4Å; L1153-F1158 HydrophobicContact CD2-CE1 3.64Å; L1153-F1158 HydrophobicContact CD2-CE2 3.49Å; L1153-F1158 VanDerWaalsContact CD2-CE2 3.49Å; L1153-F1158 HydrophobicContact CD2-CG 4.3Å; L1153-F1158 HydrophobicContact CD2-CZ 3.28Å; S1155-F1158 PolarHBondContact O-N 2.88Å; S1155-F1158 WeakPolarHBondContact OG-CB 3.04Å; F1158-V1160 HydrophobicContact CE1-CB 4.39Å; F1158-V1182 HydrophobicContact CD2-CG1 4.45Å; F1158-V1182 HydrophobicContact CE2-CG1 3.44Å; F1158-V1182 VanDerWaalsContact CE2-CG1 3.44Å; F1158-V1182 HydrophobicContact CZ-CG1 3.55Å; F1158-V1183 WeakPolarHBondContact CA-O 3.1Å; F1158-V1183 WeakPolarHBondContact CD2-O 3.4Å; F1158-I1210 HydrophobicContact CE1-CG2 3.68Å; F1158-I1210 HydrophobicContact CZ-CG2 4.04Å; F1158-L1214 HydrophobicContact CD1-CD1 3.81Å; F1158-L1214 HydrophobicContact CD1-CD2 3.55Å; F1158-L1214 HydrophobicContact CD1-CG 4.16Å; F1158-L1214 HydrophobicContact CE1-CD1 3.9Å; F1158-L1214 HydrophobicContact CE1-CD2 4.21Å; F1158-L1214 HydrophobicContact CE1-CG 4.38Å; F1158-L1214 HydrophobicContact CG-CD2 4.34Å | ||
| 1159 | S | 88.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.9 | 172.6 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | G1157 V1182 V1183 | G1157-S1159 PolarHBondContact O-N 2.89Å; G1157-S1159 VanDerWaalsContact O-N 3.11Å; S1159-V1182 WeakPolarHBondContact O-CA 3.09Å; S1159-V1183 PolarHBondContact N-O 3.08Å; S1159-V1183 VanDerWaalsContact N-O 3.16Å; S1159-V1183 PolarHBondContact O-N 3.42Å; S1159-V1183 WeakPolarHBondContact OG-CB 3.42Å |
| 1160 | V | 93.1 | Very high | 84.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.3 | 173.2 | 65 | 0 | 0 | 0 | 0 | 109.7 | F1158 L1180 K1181 V1182 F1207 I1210 Q1211 L1214 | F1158-V1160 HydrophobicContact CE1-CB 4.39Å; V1160-L1180 HydrophobicContact CG2-CB 4.12Å; V1160-L1180 HydrophobicContact CG2-CD1 4.01Å; V1160-L1180 HydrophobicContact CG2-CG 4.48Å; V1160-K1181 WeakPolarHBondContact CA-O 3.15Å; V1160-V1182 HydrophobicContact CB-CG2 4.31Å; V1160-V1182 HydrophobicContact CG2-CG2 3.83Å; V1160-F1207 HydrophobicContact CG1-CD2 4.06Å; V1160-F1207 HydrophobicContact CG1-CE2 4.04Å; V1160-F1207 HydrophobicContact CG2-CD2 4.03Å; V1160-F1207 HydrophobicContact CG2-CE2 4.45Å; V1160-F1207 WeakPolarHBondContact O-CE2 3.44Å; V1160-I1210 HydrophobicContact CB-CG2 4.25Å; V1160-I1210 HydrophobicContact CG1-CB 4.18Å; V1160-I1210 HydrophobicContact CG1-CG2 3.67Å; V1160-Q1211 HydrophobicContact CG1-CG 4.09Å; V1160-Q1211 PolarHBondContact O-NE2 3.19Å; V1160-L1214 HydrophobicContact CG1-CD1 4.46Å |
| 1161 | S | 93.1 | Very high | 84.1 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 166.6 | 171.6 | 78.3 | 0 | 0 | 0 | 0 | 110.4 | L1180 K1181 | S1161-L1180 WeakPolarHBondContact O-CA 3.08Å; S1161-K1181 PolarHBondContact N-O 3.09Å; S1161-K1181 PolarHBondContact O-N 3.47Å |
| 1162 | Y | 92.5 | Very high | 83.8 | Confident | 91 Ų | 91 | 51.6 Ų | 51.6 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 159 | 157.3 | -62.3 | -83.4 | 0 | 0 | 0 | 109.8 | L1180 F1207 | Y1162-L1180 HydrophobicContact CD1-CD2 3.64Å; Y1162-L1180 HydrophobicContact CE1-CD2 3.73Å; Y1162-L1180 HydrophobicContact CG-CD2 4.26Å; Y1162-F1207 HydrophobicContact CD2-CD2 4.45Å; Y1162-F1207 HydrophobicContact CD2-CE2 4.33Å; Y1162-F1207 HydrophobicContact CD2-CZ 4.4Å; Y1162-F1207 AromaticContact CE2-CD1 3.64Å; Y1162-F1207 HydrophobicContact CE2-CD1 3.64Å; Y1162-F1207 HydrophobicContact CE2-CD2 4.01Å; Y1162-F1207 AromaticContact CE2-CE1 3.73Å; Y1162-F1207 HydrophobicContact CE2-CE1 3.73Å; Y1162-F1207 HydrophobicContact CE2-CE2 4.09Å; Y1162-F1207 AromaticContact CE2-CG 3.79Å; Y1162-F1207 HydrophobicContact CE2-CG 3.79Å; Y1162-F1207 AromaticContact CE2-CZ 3.96Å; Y1162-F1207 HydrophobicContact CE2-CZ 3.96Å; Y1162-F1207 AromaticContact CZ-CD1 3.79Å; Y1162-F1207 AromaticContact CZ-CG 3.74Å; Y1162-F1207 WeakPolarHBondContact OH-CD1 3.03Å |
| 1163 | V | 89.3 | Confident | 83.6 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 145.8 | 170.6 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | D1167 V1168 I1176 I1179 K1181 F1194 | V1163-D1167 HydrophobicContact CB-CB 4.21Å; V1163-D1167 HydrophobicContact CG1-CB 4.36Å; V1163-V1168 HydrophobicContact CB-CG1 4.27Å; V1163-V1168 HydrophobicContact CB-CG2 4.04Å; V1163-V1168 HydrophobicContact CG1-CG1 3.91Å; V1163-V1168 HydrophobicContact CG2-CG2 3.85Å; V1163-I1176 HydrophobicContact CG2-CG2 3.8Å; V1163-I1176 WeakPolarHBondContact CG2-O 3.04Å; V1163-I1179 HydrophobicContact CG1-CB 4.12Å; V1163-I1179 HydrophobicContact CG1-CG2 3.59Å; V1163-I1179 HydrophobicContact CG2-CB 3.79Å; V1163-I1179 HydrophobicContact CG2-CG2 4.21Å; V1163-I1179 PolarHBondContact N-O 2.97Å; V1163-K1181 HydrophobicContact CG1-CB 3.97Å; V1163-F1194 HydrophobicContact CG1-CD1 3.64Å; V1163-F1194 HydrophobicContact CG1-CE1 3.76Å |
| 1164 | T | 84.7 | Confident | 83.5 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 160.5 | 159.9 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | S1166 D1167 | T1164-S1166 WeakPolarHBondContact CB-OG 3.46Å; T1164-S1166 PolarHBondContact O-N 3.08Å; T1164-S1166 PolarHBondContact OG1-OG 3.3Å; T1164-D1167 WeakPolarHBondContact CB-OD2 3.36Å; T1164-D1167 PolarHBondContact N-OD2 3.24Å; T1164-D1167 WeakPolarHBondContact O-CB 3.34Å; T1164-D1167 PolarHBondContact O-N 3.08Å; T1164-D1167 VanDerWaalsContact OG1-CG 3.26Å; T1164-D1167 PolarHBondContact OG1-N 2.94Å; T1164-D1167 VanDerWaalsContact OG1-N 3.16Å; T1164-D1167 PolarHBondContact OG1-OD2 3.18Å |
| 1165 | A | 78.3 | Confident | 83.8 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1168 I1169 I1176 | A1165-V1168 CarbonylContact O-C 3.51Å; A1165-V1168 PolarHBondContact O-N 2.98Å; A1165-I1169 PolarHBondContact O-N 3.12Å; A1165-I1176 HydrophobicContact CB-CD1 4.42Å |
| 1166 | S | 81.3 | Confident | 84.1 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -25.1 | 173 | 31 | 0 | 0 | 0 | 0 | 114.8 | T1164 V1168 | T1164-S1166 WeakPolarHBondContact CB-OG 3.46Å; T1164-S1166 PolarHBondContact O-N 3.08Å; T1164-S1166 PolarHBondContact OG1-OG 3.3Å; S1166-V1168 VanDerWaalsContact C-N 3.35Å |
| 1167 | D | 79.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -28.1 | 175.2 | -69.3 | -66.9 | 0 | 0 | 0 | 112.3 | V1163 T1164 K1181 F1194 | V1163-D1167 HydrophobicContact CB-CB 4.21Å; V1163-D1167 HydrophobicContact CG1-CB 4.36Å; T1164-D1167 WeakPolarHBondContact CB-OD2 3.36Å; T1164-D1167 PolarHBondContact N-OD2 3.24Å; T1164-D1167 WeakPolarHBondContact O-CB 3.34Å; T1164-D1167 PolarHBondContact O-N 3.08Å; T1164-D1167 VanDerWaalsContact OG1-CG 3.26Å; T1164-D1167 PolarHBondContact OG1-N 2.94Å; T1164-D1167 VanDerWaalsContact OG1-N 3.16Å; T1164-D1167 PolarHBondContact OG1-OD2 3.18Å; D1167-K1181 WeakPolarHBondContact OD1-CE 3.11Å; D1167-K1181 IonicContact OD1-NZ 3.76Å; D1167-K1181 PolarHBondContact OD1-NZ 3.17Å; D1167-K1181 IonicContact OD2-NZ 2.73Å; D1167-F1194 HydrophobicContact CB-CE1 4.14Å; D1167-F1194 HydrophobicContact CB-CZ 4.47Å |
| 1168 | V | 79.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | trans | -135.2 | 54.4 | -169.7 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | I1076 V1163 A1165 S1166 H1170 A1171 I1176 F1194 | I1076-V1168 HydrophobicContact CD1-CB 4.25Å; I1076-V1168 HydrophobicContact CD1-CG1 3.82Å; V1163-V1168 HydrophobicContact CB-CG1 4.27Å; V1163-V1168 HydrophobicContact CB-CG2 4.04Å; V1163-V1168 HydrophobicContact CG1-CG1 3.91Å; V1163-V1168 HydrophobicContact CG2-CG2 3.85Å; A1165-V1168 CarbonylContact O-C 3.51Å; A1165-V1168 PolarHBondContact O-N 2.98Å; S1166-V1168 VanDerWaalsContact C-N 3.35Å; V1168-H1170 PolarHBondContact O-N 3.09Å; V1168-A1171 HydrophobicContact CB-CB 3.89Å; V1168-A1171 HydrophobicContact CG2-CB 3.9Å; V1168-A1171 PolarHBondContact O-N 3.15Å; V1168-I1176 HydrophobicContact CG2-CG1 4.18Å; V1168-F1194 HydrophobicContact CG1-CD1 3.84Å; V1168-F1194 HydrophobicContact CG1-CE1 3.79Å; V1168-F1194 HydrophobicContact CG1-CG 4.4Å; V1168-F1194 HydrophobicContact CG1-CZ 4.3Å | ||
| 1169 | I | 77.8 | Confident | 85.7 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -2.8 | -179.1 | 61.8 | 164.9 | 0 | 0 | 0 | 116.9 | A1165 | A1165-I1169 PolarHBondContact O-N 3.12Š|
| 1170 | H | 77.5 | Confident | 85.9 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 4.2 | 178.6 | -60.6 | -21.9 | 0 | 0 | 0 | 113.4 | V1168 | V1168-H1170 PolarHBondContact O-N 3.09Š|
| 1171 | A | 79.2 | Confident | 85.9 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -76.9 | 150.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1168 I1176 I1179 | V1168-A1171 HydrophobicContact CB-CB 3.89Å; V1168-A1171 HydrophobicContact CG2-CB 3.9Å; V1168-A1171 PolarHBondContact O-N 3.15Å; A1171-I1176 HydrophobicContact CB-CG1 4.2Å; A1171-I1179 HydrophobicContact CB-CD1 4.03Å |
| 1172 | K | 82.6 | Confident | 85.8 | Confident | 142 Ų | 142 | 61.3 Ų | 61.3 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | trans | -69.6 | 140.5 | 171.6 | -57.3 | 179.8 | 178.8 | -178.4 | 0 | 108.8 | Q1174 D1175 I1176 | K1172-Q1174 HydrophobicContact CB-CG 3.86Å; K1172-Q1174 PolarHBondContact O-N 2.99Å; K1172-D1175 WeakPolarHBondContact CB-OD2 3.29Å; K1172-D1175 PolarHBondContact O-N 3.07Å; K1172-I1176 PolarHBondContact O-N 3.18Å | ||
| 1173 | Q | 82.8 | Confident | 85.5 | Confident | 151 Ų | 151 | 58.8 Ų | 58.8 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -36.7 | -176.4 | -165.4 | 66.6 | 17.8 | 0 | 0 | 113.7 | D1175 | Q1173-D1175 VanDerWaalsContact C-N 3.3Å; Q1173-D1175 PolarHBondContact O-N 2.87Å |
| 1174 | Q | 86.4 | Confident | 85.3 | Confident | 127 Ų | 127 | 58.2 Ų | 58.2 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.3 | 175.7 | 54 | 159.1 | 70.9 | 0 | 0 | 115.4 | K1172 | K1172-Q1174 HydrophobicContact CB-CG 3.86Å; K1172-Q1174 PolarHBondContact O-N 2.99Å |
| 1175 | D | 88.8 | Confident | 84.8 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -22.5 | -175.2 | -59.7 | -28 | 0 | 0 | 0 | 111.2 | K1172 Q1173 K1178 I1179 L1196 | K1172-D1175 WeakPolarHBondContact CB-OD2 3.29Å; K1172-D1175 PolarHBondContact O-N 3.07Å; Q1173-D1175 VanDerWaalsContact C-N 3.3Å; Q1173-D1175 PolarHBondContact O-N 2.87Å; D1175-K1178 WeakPolarHBondContact O-CA 3.24Å; D1175-K1178 VanDerWaalsContact O-CB 3.3Å; D1175-K1178 WeakPolarHBondContact O-CB 3.34Å; D1175-K1178 PolarHBondContact O-N 2.95Å; D1175-I1179 WeakPolarHBondContact O-CG1 3.38Å; D1175-L1196 HydrophobicContact CB-CD1 4.16Å |
| 1176 | I | 87.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -47.2 | -52 | 174.8 | -59.4 | -178.9 | 0 | 0 | 0 | 113.1 | V1163 A1165 V1168 A1171 K1172 K1178 I1179 | V1163-I1176 HydrophobicContact CG2-CG2 3.8Å; V1163-I1176 WeakPolarHBondContact CG2-O 3.04Å; A1165-I1176 HydrophobicContact CB-CD1 4.42Å; V1168-I1176 HydrophobicContact CG2-CG1 4.18Å; A1171-I1176 HydrophobicContact CB-CG1 4.2Å; K1172-I1176 PolarHBondContact O-N 3.18Å; I1176-K1178 PolarHBondContact O-N 3.11Å; I1176-I1179 PolarHBondContact O-N 3.41Å; I1176-I1179 VanDerWaalsContact O-N 3.15Å |
| 1177 | P | 90.5 | Very high | 83.5 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -70.8 | 5.2 | 178.6 | 30.7 | -37.8 | 0 | 0 | 0 | 114.4 | S1200 | P1177-S1200 WeakPolarHBondContact O-CB 3.45Å; P1177-S1200 PolarHBondContact O-OG 3.29Å |
| 1178 | K | 93 | Very high | 82.4 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -112.3 | 3.3 | 175.5 | -46.3 | -178.3 | -177.6 | -173.4 | 0 | 112.9 | D1175 I1176 L1196 F1197 E1198 C1203 | D1175-K1178 WeakPolarHBondContact O-CA 3.24Å; D1175-K1178 VanDerWaalsContact O-CB 3.3Å; D1175-K1178 WeakPolarHBondContact O-CB 3.34Å; D1175-K1178 PolarHBondContact O-N 2.95Å; I1176-K1178 PolarHBondContact O-N 3.11Å; K1178-L1196 HydrophobicContact CB-CD1 3.83Å; K1178-F1197 PolarHBondContact O-N 2.93Å; K1178-E1198 WeakPolarHBondContact CD-O 3.31Å; K1178-E1198 WeakPolarHBondContact CE-O 3.43Å; K1178-E1198 PolarHBondContact NZ-O 3.34Å; K1178-C1203 VanDerWaalsContact C-SG 3.53Å |
| 1179 | I | 92.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.7 | -177.1 | -57.8 | 162.9 | 0 | 0 | 0 | 110.2 | W1080 V1163 A1171 D1175 I1176 F1194 L1195 L1196 | W1080-I1179 HydrophobicContact CH2-CD1 3.93Å; W1080-I1179 HydrophobicContact CH2-CG1 4.36Å; W1080-I1179 HydrophobicContact CZ2-CD1 4.22Å; V1163-I1179 HydrophobicContact CG1-CB 4.12Å; V1163-I1179 HydrophobicContact CG1-CG2 3.59Å; V1163-I1179 HydrophobicContact CG2-CB 3.79Å; V1163-I1179 HydrophobicContact CG2-CG2 4.21Å; V1163-I1179 PolarHBondContact N-O 2.97Å; A1171-I1179 HydrophobicContact CB-CD1 4.03Å; D1175-I1179 WeakPolarHBondContact O-CG1 3.38Å; I1176-I1179 PolarHBondContact O-N 3.41Å; I1176-I1179 VanDerWaalsContact O-N 3.15Å; I1179-F1194 HydrophobicContact CG2-CB 3.98Å; I1179-F1194 HydrophobicContact CG2-CD1 4.16Å; I1179-L1195 VanDerWaalsContact CA-O 3.31Å; I1179-L1195 WeakPolarHBondContact CA-O 3.34Å; I1179-L1196 HydrophobicContact CD1-CD1 4.42Å; I1179-L1196 HydrophobicContact CG1-CB 3.99Å; I1179-L1196 HydrophobicContact CG1-CD1 3.7Å; I1179-L1196 HydrophobicContact CG1-CG 4.41Å |
| 1180 | L | 93.8 | Very high | 80 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 144.9 | 163.7 | -60 | -177 | 0 | 0 | 0 | 110.7 | V1160 S1161 Y1162 F1194 L1195 F1197 C1203 W1206 F1207 | V1160-L1180 HydrophobicContact CG2-CB 4.12Å; V1160-L1180 HydrophobicContact CG2-CD1 4.01Å; V1160-L1180 HydrophobicContact CG2-CG 4.48Å; S1161-L1180 WeakPolarHBondContact O-CA 3.08Å; Y1162-L1180 HydrophobicContact CD1-CD2 3.64Å; Y1162-L1180 HydrophobicContact CE1-CD2 3.73Å; Y1162-L1180 HydrophobicContact CG-CD2 4.26Å; L1180-F1194 CarbonylContact O-C 3.57Å; L1180-F1194 WeakPolarHBondContact O-CA 3.3Å; L1180-L1195 HydrophobicContact CB-CB 4.37Å; L1180-L1195 PolarHBondContact N-O 3.32Å; L1180-L1195 PolarHBondContact O-N 2.96Å; L1180-F1197 HydrophobicContact CB-CE2 4.34Å; L1180-F1197 HydrophobicContact CD1-CE2 3.83Å; L1180-F1197 HydrophobicContact CD1-CZ 4.38Å; L1180-F1197 HydrophobicContact CG-CD2 4.49Å; L1180-F1197 HydrophobicContact CG-CE2 3.88Å; L1180-C1203 WeakPolarHBondContact CD2-SG 3.46Å; L1180-C1203 VanDerWaalsContact CG-SG 3.59Å; L1180-W1206 HydrophobicContact CD1-CB 4.37Å; L1180-F1207 HydrophobicContact CD1-CB 3.95Å; L1180-F1207 HydrophobicContact CD2-CB 3.99Å; L1180-F1207 HydrophobicContact CD2-CD2 3.98Å; L1180-F1207 HydrophobicContact CD2-CG 4.35Å |
| 1181 | K | 92.3 | Very high | 79.5 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.9 | 170.4 | -177.9 | -177.3 | 178.3 | -178.5 | 0 | 107.6 | V1160 S1161 V1163 D1167 P1192 F1194 | V1160-K1181 WeakPolarHBondContact CA-O 3.15Å; S1161-K1181 PolarHBondContact N-O 3.09Å; S1161-K1181 PolarHBondContact O-N 3.47Å; V1163-K1181 HydrophobicContact CG1-CB 3.97Å; D1167-K1181 WeakPolarHBondContact OD1-CE 3.11Å; D1167-K1181 IonicContact OD1-NZ 3.76Å; D1167-K1181 PolarHBondContact OD1-NZ 3.17Å; D1167-K1181 IonicContact OD2-NZ 2.73Å; K1181-P1192 HydrophobicContact CG-CB 3.88Å; K1181-P1192 HydrophobicContact CG-CG 4.22Å; K1181-F1194 HydrophobicContact CB-CD1 4.39Å; K1181-F1194 HydrophobicContact CB-CE1 4.25Å; K1181-F1194 HydrophobicContact CD-CE1 4.35Å; K1181-F1194 HydrophobicContact CG-CD1 4.48Å; K1181-F1194 HydrophobicContact CG-CE1 3.97Å |
| 1182 | V | 90.3 | Very high | 79.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.5 | 178.8 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | F1158 S1159 V1160 P1192 L1193 L1195 | F1158-V1182 HydrophobicContact CD2-CG1 4.45Å; F1158-V1182 HydrophobicContact CE2-CG1 3.44Å; F1158-V1182 VanDerWaalsContact CE2-CG1 3.44Å; F1158-V1182 HydrophobicContact CZ-CG1 3.55Å; S1159-V1182 WeakPolarHBondContact O-CA 3.09Å; V1160-V1182 HydrophobicContact CB-CG2 4.31Å; V1160-V1182 HydrophobicContact CG2-CG2 3.83Å; V1182-P1192 CarbonylContact O-C 3.46Å; V1182-P1192 WeakPolarHBondContact O-CA 3.37Å; V1182-L1193 HydrophobicContact CB-CB 4.3Å; V1182-L1193 PolarHBondContact N-O 3.37Å; V1182-L1193 PolarHBondContact O-N 2.99Å; V1182-L1195 HydrophobicContact CG2-CD1 3.79Å; V1182-L1195 HydrophobicContact CG2-CG 4.29Å |
| 1183 | V | 86.7 | Confident | 79.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.6 | 164.1 | -175.7 | 0 | 0 | 0 | 0 | 107 | F1158 S1159 P1192 | F1158-V1183 WeakPolarHBondContact CA-O 3.1Å; F1158-V1183 WeakPolarHBondContact CD2-O 3.4Å; S1159-V1183 PolarHBondContact N-O 3.08Å; S1159-V1183 VanDerWaalsContact N-O 3.16Å; S1159-V1183 PolarHBondContact O-N 3.42Å; S1159-V1183 WeakPolarHBondContact OG-CB 3.42Å; V1183-P1192 HydrophobicContact CG2-CB 4.48Å |
| 1184 | V | 84.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | trans | -82.7 | -38.1 | -170.5 | 170.5 | 0 | 0 | 0 | 0 | 112 | V1151 S1155 L1193 S1512 | V1151-V1184 HydrophobicContact CG1-CG1 4.13Å; V1151-V1184 HydrophobicContact CG1-CG2 4.41Å; V1151-V1184 HydrophobicContact CG2-CG1 4.25Å; V1151-V1184 HydrophobicContact CG2-CG2 4.24Å; S1155-V1184 PolarHBondContact OG-O 3.04Å; V1184-L1193 HydrophobicContact CG2-CD1 3.55Å; V1184-L1193 HydrophobicContact CG2-CG 3.69Å; V1184-S1512 VanDerWaalsContact CG1-CB 3.41Å | ||
| 1185 | D | 75.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | trans | -163 | 161 | 172.5 | 55.9 | 73.2 | 0 | 0 | 0 | 109.7 | S1156 Y1187 L1188 S1513 | S1156-D1185 CarbonylContact O-C 3.55Å; S1156-D1185 WeakPolarHBondContact O-CA 3.45Å; D1185-Y1187 HydrophobicContact CB-CD2 3.69Å; D1185-Y1187 HydrophobicContact CB-CE2 4.35Å; D1185-Y1187 HydrophobicContact CB-CG 4.42Å; D1185-Y1187 WeakPolarHBondContact OD1-CB 3.38Å; D1185-Y1187 PolarHBondContact OD1-N 2.97Å; D1185-Y1187 VanDerWaalsContact OD1-N 3.16Å; D1185-L1188 PolarHBondContact OD1-N 2.77Å; D1185-L1188 VanDerWaalsContact OD1-N 3.12Å; D1185-S1513 PolarHBondContact OD1-OG 2.9Å; D1185-S1513 WeakPolarHBondContact OD2-CB 3.49Å; D1185-S1513 PolarHBondContact OD2-OG 3.18Å | ||
| 1186 | D | 69.3 | Low | 80.7 | Confident | 114 Ų | 114 | 34.9 Ų | 34.9 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -85.8 | -7.7 | 169.8 | -85.5 | -19.7 | 0 | 0 | 0 | 112 | S1156 G1157 L1188 | S1156-D1186 PolarHBondContact O-N 2.92Å; G1157-D1186 WeakPolarHBondContact CA-OD2 3.46Å; D1186-L1188 PolarHBondContact O-N 3.06Å |
| 1187 | Y | 62.9 | Low | 81 | Confident | 71 Ų | 71 | 34.2 Ų | 34.2 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -64.4 | -34.4 | -176.4 | -60.2 | -57.9 | 0 | 0 | 0 | 111.3 | D1185 L1230 L1511 | D1185-Y1187 HydrophobicContact CB-CD2 3.69Å; D1185-Y1187 HydrophobicContact CB-CE2 4.35Å; D1185-Y1187 HydrophobicContact CB-CG 4.42Å; D1185-Y1187 WeakPolarHBondContact OD1-CB 3.38Å; D1185-Y1187 PolarHBondContact OD1-N 2.97Å; D1185-Y1187 VanDerWaalsContact OD1-N 3.16Å; Y1187-L1230 PolarHBondContact OH-O 2.83Å; Y1187-L1511 HydrophobicContact CD2-CD1 3.93Å |
| 1188 | L | 55.4 | Low | 81 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -120.5 | 148.4 | -178.1 | -49.3 | -165.1 | 0 | 0 | 0 | 112.4 | D1185 D1186 S1190 S1513 C1514 R1580 | D1185-L1188 PolarHBondContact OD1-N 2.77Å; D1185-L1188 VanDerWaalsContact OD1-N 3.12Å; D1186-L1188 PolarHBondContact O-N 3.06Å; L1188-S1190 PolarHBondContact O-N 2.9Å; L1188-S1513 WeakPolarHBondContact CD1-OG 3.29Å; L1188-S1513 WeakPolarHBondContact CG-OG 3.45Å; L1188-C1514 HydrophobicContact CD1-CB 3.95Å; L1188-C1514 VanDerWaalsContact CD1-SG 3.58Å; L1188-R1580 VanDerWaalsContact CD1-NH1 3.3Å |
| 1189 | P | 52.7 | Low | 80.9 | Confident | 123 Ų | 123 | 38.4 Ų | 38.4 | 80% | 0.799 | 21% | 0.214 | S | C | * | . | trans | -71.4 | 60.3 | 157.8 | 33.8 | -35.5 | 0 | 0 | 0 | 110.3 | ||||
| 1190 | S | 54.9 | Low | 80.8 | Confident | 31 Ų | 31 | 41 Ų | 41 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 141 | 176.6 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | L1188 | L1188-S1190 PolarHBondContact O-N 2.9Š|
| 1191 | A | 67.9 | Low | 80.7 | Confident | 46 Ų | 46 | 44 Ų | 44 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 128.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A1533 | A1191-A1533 HydrophobicContact CB-CB 4.38Š|
| 1192 | P | 81.5 | Confident | 80.6 | Confident | 38 Ų | 38 | 44 Ų | 44 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 144.1 | -177.3 | 26.3 | -34.5 | 0 | 0 | 0 | 110.7 | K1181 V1182 V1183 F1194 | K1181-P1192 HydrophobicContact CG-CB 3.88Å; K1181-P1192 HydrophobicContact CG-CG 4.22Å; V1182-P1192 CarbonylContact O-C 3.46Å; V1182-P1192 WeakPolarHBondContact O-CA 3.37Å; V1183-P1192 HydrophobicContact CG2-CB 4.48Å; P1192-F1194 HydrophobicContact CG-CE2 4.25Å; P1192-F1194 HydrophobicContact CG-CZ 3.97Å; P1192-F1194 WeakPolarHBondContact O-CD2 3.27Å; P1192-F1194 PolarHBondContact O-N 2.97Å |
| 1193 | L | 87.3 | Confident | 80.7 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 125 | 177.2 | -57.9 | -177.4 | 0 | 0 | 0 | 109.4 | M1070 V1151 V1182 V1184 L1195 | M1070-L1193 HydrophobicContact CE-CB 4.17Å; M1070-L1193 HydrophobicContact CE-CD1 4.07Å; M1070-L1193 HydrophobicContact CE-CD2 3.81Å; M1070-L1193 HydrophobicContact CE-CG 4.23Å; V1151-L1193 HydrophobicContact CG2-CD1 4.2Å; V1182-L1193 HydrophobicContact CB-CB 4.3Å; V1182-L1193 PolarHBondContact N-O 3.37Å; V1182-L1193 PolarHBondContact O-N 2.99Å; V1184-L1193 HydrophobicContact CG2-CD1 3.55Å; V1184-L1193 HydrophobicContact CG2-CG 3.69Å; L1193-L1195 HydrophobicContact CB-CD2 4.42Å |
| 1194 | F | 90.5 | Very high | 81 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.4 | 173.1 | -63.3 | -72.4 | 0 | 0 | 0 | 109.5 | P1071 I1076 V1163 D1167 V1168 I1179 L1180 K1181 P1192 | P1071-F1194 WeakPolarHBondContact CD-O 3.36Å; P1071-F1194 HydrophobicContact CG-CB 4.06Å; P1071-F1194 HydrophobicContact CG-CD2 4.43Å; I1076-F1194 HydrophobicContact CD1-CD2 4.44Å; V1163-F1194 HydrophobicContact CG1-CD1 3.64Å; V1163-F1194 HydrophobicContact CG1-CE1 3.76Å; D1167-F1194 HydrophobicContact CB-CE1 4.14Å; D1167-F1194 HydrophobicContact CB-CZ 4.47Å; V1168-F1194 HydrophobicContact CG1-CD1 3.84Å; V1168-F1194 HydrophobicContact CG1-CE1 3.79Å; V1168-F1194 HydrophobicContact CG1-CG 4.4Å; V1168-F1194 HydrophobicContact CG1-CZ 4.3Å; I1179-F1194 HydrophobicContact CG2-CB 3.98Å; I1179-F1194 HydrophobicContact CG2-CD1 4.16Å; L1180-F1194 CarbonylContact O-C 3.57Å; L1180-F1194 WeakPolarHBondContact O-CA 3.3Å; K1181-F1194 HydrophobicContact CB-CD1 4.39Å; K1181-F1194 HydrophobicContact CB-CE1 4.25Å; K1181-F1194 HydrophobicContact CD-CE1 4.35Å; K1181-F1194 HydrophobicContact CG-CD1 4.48Å; K1181-F1194 HydrophobicContact CG-CE1 3.97Å; P1192-F1194 HydrophobicContact CG-CE2 4.25Å; P1192-F1194 HydrophobicContact CG-CZ 3.97Å; P1192-F1194 WeakPolarHBondContact O-CD2 3.27Å; P1192-F1194 PolarHBondContact O-N 2.97Å |
| 1195 | L | 93.1 | Very high | 81.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 97.7 | -174.5 | -60.8 | -169.3 | 0 | 0 | 0 | 109.7 | V1068 M1070 F1094 I1179 L1180 V1182 L1193 F1197 | V1068-L1195 HydrophobicContact CG2-CB 3.84Å; V1068-L1195 HydrophobicContact CG2-CD2 4.48Å; M1070-L1195 HydrophobicContact CE-CD2 4.13Å; M1070-L1195 HydrophobicContact CG-CD2 3.72Å; M1070-L1195 HydrophobicContact SD-CD2 3.84Å; F1094-L1195 HydrophobicContact CE1-CD1 4.42Å; F1094-L1195 HydrophobicContact CE1-CD2 3.8Å; F1094-L1195 HydrophobicContact CZ-CD1 4.37Å; F1094-L1195 HydrophobicContact CZ-CD2 4.29Å; I1179-L1195 VanDerWaalsContact CA-O 3.31Å; I1179-L1195 WeakPolarHBondContact CA-O 3.34Å; L1180-L1195 HydrophobicContact CB-CB 4.37Å; L1180-L1195 PolarHBondContact N-O 3.32Å; L1180-L1195 PolarHBondContact O-N 2.96Å; V1182-L1195 HydrophobicContact CG2-CD1 3.79Å; V1182-L1195 HydrophobicContact CG2-CG 4.29Å; L1193-L1195 HydrophobicContact CB-CD2 4.42Å; L1195-F1197 HydrophobicContact CB-CE2 3.88Å; L1195-F1197 HydrophobicContact CB-CZ 4.26Å; L1195-F1197 WeakPolarHBondContact O-CD2 3.2Å; L1195-F1197 WeakPolarHBondContact O-CE2 3.48Å |
| 1196 | L | 92.6 | Very high | 82.1 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.6 | 177.2 | 171.2 | 61.8 | 0 | 0 | 0 | 110.6 | V1068 K1069 W1080 D1175 K1178 I1179 | V1068-L1196 WeakPolarHBondContact CG2-O 3.29Å; K1069-L1196 HydrophobicContact CB-CB 3.92Å; K1069-L1196 HydrophobicContact CB-CD2 4.11Å; K1069-L1196 HydrophobicContact CB-CG 4.14Å; K1069-L1196 HydrophobicContact CD-CD2 4.33Å; K1069-L1196 PolarHBondContact N-O 3.33Å; K1069-L1196 WeakPolarHBondContact O-CB 3.24Å; K1069-L1196 PolarHBondContact O-N 2.82Å; W1080-L1196 HydrophobicContact CD2-CB 4.42Å; W1080-L1196 HydrophobicContact CD2-CD2 3.72Å; W1080-L1196 HydrophobicContact CE3-CB 3.87Å; W1080-L1196 HydrophobicContact CE3-CD2 4.05Å; W1080-L1196 HydrophobicContact CG-CD2 4.18Å; W1080-L1196 HydrophobicContact CH2-CB 3.96Å; W1080-L1196 HydrophobicContact CH2-CD2 4.27Å; W1080-L1196 HydrophobicContact CZ2-CB 4.47Å; W1080-L1196 HydrophobicContact CZ2-CD2 3.94Å; W1080-L1196 HydrophobicContact CZ3-CB 3.62Å; W1080-L1196 HydrophobicContact CZ3-CD2 4.31Å; D1175-L1196 HydrophobicContact CB-CD1 4.16Å; K1178-L1196 HydrophobicContact CB-CD1 3.83Å; I1179-L1196 HydrophobicContact CD1-CD1 4.42Å; I1179-L1196 HydrophobicContact CG1-CB 3.99Å; I1179-L1196 HydrophobicContact CG1-CD1 3.7Å; I1179-L1196 HydrophobicContact CG1-CG 4.41Å |
| 1197 | F | 94 | Very high | 83.3 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -93.6 | 162.5 | 174.2 | -62.8 | -88.1 | 0 | 0 | 0 | 111.7 | V1068 K1178 L1180 L1195 L1202 C1203 W1206 | V1068-F1197 HydrophobicContact CB-CE1 4.42Å; V1068-F1197 HydrophobicContact CG2-CD1 4.01Å; V1068-F1197 HydrophobicContact CG2-CD2 4.4Å; V1068-F1197 HydrophobicContact CG2-CE1 3.8Å; V1068-F1197 HydrophobicContact CG2-CE2 4.2Å; V1068-F1197 HydrophobicContact CG2-CG 4.31Å; V1068-F1197 HydrophobicContact CG2-CZ 3.91Å; K1178-F1197 PolarHBondContact O-N 2.93Å; L1180-F1197 HydrophobicContact CB-CE2 4.34Å; L1180-F1197 HydrophobicContact CD1-CE2 3.83Å; L1180-F1197 HydrophobicContact CD1-CZ 4.38Å; L1180-F1197 HydrophobicContact CG-CD2 4.49Å; L1180-F1197 HydrophobicContact CG-CE2 3.88Å; L1195-F1197 HydrophobicContact CB-CE2 3.88Å; L1195-F1197 HydrophobicContact CB-CZ 4.26Å; L1195-F1197 WeakPolarHBondContact O-CD2 3.2Å; L1195-F1197 WeakPolarHBondContact O-CE2 3.48Å; F1197-L1202 HydrophobicContact CB-CB 4.5Å; F1197-L1202 HydrophobicContact CB-CD2 4.38Å; F1197-L1202 HydrophobicContact CB-CG 4.41Å; F1197-L1202 HydrophobicContact CD1-CD2 4.08Å; F1197-L1202 HydrophobicContact CD1-CG 3.95Å; F1197-C1203 HydrophobicContact CB-CB 4.07Å; F1197-C1203 HydrophobicContact CD2-CB 3.83Å; F1197-C1203 HydrophobicContact CG-CB 4.17Å; F1197-W1206 AromaticContact CD1-CD1 3.86Å; F1197-W1206 HydrophobicContact CD1-CG 4.46Å; F1197-W1206 HydrophobicContact CE1-CB 4.01Å; F1197-W1206 AromaticContact CE1-CD1 3.31Å; F1197-W1206 HydrophobicContact CE1-CD2 4.17Å; F1197-W1206 AromaticContact CE1-CG 3.57Å; F1197-W1206 HydrophobicContact CE1-CG 3.57Å; F1197-W1206 AromaticContact CE1-NE1 3.75Å; F1197-W1206 HydrophobicContact CE2-CB 4.43Å; F1197-W1206 HydrophobicContact CZ-CB 3.77Å; F1197-W1206 AromaticContact CZ-CD1 3.98Å; F1197-W1206 HydrophobicContact CZ-CD2 4.4Å; F1197-W1206 AromaticContact CZ-CG 3.78Å; F1197-W1206 HydrophobicContact CZ-CG 3.78Å | ||
| 1198 | E | 90.5 | Very high | 84.7 | Confident | 158 Ų | 158 | 51.4 Ų | 51.4 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -68 | -42 | -179.5 | -177.9 | 161.4 | -131.7 | 0 | 0 | 112.9 | K1178 | K1178-E1198 WeakPolarHBondContact CD-O 3.31Å; K1178-E1198 WeakPolarHBondContact CE-O 3.43Å; K1178-E1198 PolarHBondContact NZ-O 3.34Å |
| 1199 | S | 91.3 | Very high | 86.2 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -125.1 | 155.7 | 177.2 | 76 | 0 | 0 | 0 | 0 | 111.6 | A1201 L1202 C1203 | S1199-A1201 VanDerWaalsContact C-N 3.33Å; S1199-L1202 PolarHBondContact O-N 3.49Å; S1199-L1202 WeakPolarHBondContact OG-CB 3.24Å; S1199-L1202 PolarHBondContact OG-N 2.83Å; S1199-L1202 VanDerWaalsContact OG-N 3.13Å; S1199-C1203 PolarHBondContact O-N 2.92Å; S1199-C1203 VanDerWaalsContact O-N 3.16Å |
| 1200 | S | 90.3 | Very high | 88.1 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.9 | -31.8 | 176.7 | -170 | 0 | 0 | 0 | 0 | 111.7 | P1177 L1202 C1203 E1204 | P1177-S1200 WeakPolarHBondContact O-CB 3.45Å; P1177-S1200 PolarHBondContact O-OG 3.29Å; S1200-L1202 PolarHBondContact O-N 2.96Å; S1200-C1203 VanDerWaalsContact O-CB 3.26Å; S1200-C1203 WeakPolarHBondContact O-CB 3.41Å; S1200-C1203 PolarHBondContact O-N 3.2Å; S1200-E1204 PolarHBondContact O-N 3.32Å |
| 1201 | A | 90.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1199 E1204 C1205 | S1199-A1201 VanDerWaalsContact C-N 3.33Å; A1201-E1204 PolarHBondContact O-N 2.92Å; A1201-C1205 PolarHBondContact O-N 3.03Å; A1201-C1205 PolarHBondContact O-SG 2.75Å; A1201-C1205 VanDerWaalsContact O-SG 3.36Å |
| 1202 | L | 91.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 174.2 | -178.1 | 62.2 | 0 | 0 | 0 | 111.4 | F1197 S1199 S1200 E1204 C1205 W1206 | F1197-L1202 HydrophobicContact CB-CB 4.5Å; F1197-L1202 HydrophobicContact CB-CD2 4.38Å; F1197-L1202 HydrophobicContact CB-CG 4.41Å; F1197-L1202 HydrophobicContact CD1-CD2 4.08Å; F1197-L1202 HydrophobicContact CD1-CG 3.95Å; S1199-L1202 PolarHBondContact O-N 3.49Å; S1199-L1202 WeakPolarHBondContact OG-CB 3.24Å; S1199-L1202 PolarHBondContact OG-N 2.83Å; S1199-L1202 VanDerWaalsContact OG-N 3.13Å; S1200-L1202 PolarHBondContact O-N 2.96Å; L1202-E1204 PolarHBondContact O-N 2.85Å; L1202-C1205 PolarHBondContact O-N 3.16Å; L1202-W1206 PolarHBondContact O-N 2.63Å |
| 1203 | C | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57 | -45.3 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | K1178 L1180 F1197 S1199 S1200 W1206 F1207 | K1178-C1203 VanDerWaalsContact C-SG 3.53Å; L1180-C1203 WeakPolarHBondContact CD2-SG 3.46Å; L1180-C1203 VanDerWaalsContact CG-SG 3.59Å; F1197-C1203 HydrophobicContact CB-CB 4.07Å; F1197-C1203 HydrophobicContact CD2-CB 3.83Å; F1197-C1203 HydrophobicContact CG-CB 4.17Å; S1199-C1203 PolarHBondContact O-N 2.92Å; S1199-C1203 VanDerWaalsContact O-N 3.16Å; S1200-C1203 VanDerWaalsContact O-CB 3.26Å; S1200-C1203 WeakPolarHBondContact O-CB 3.41Å; S1200-C1203 PolarHBondContact O-N 3.2Å; C1203-W1206 PolarHBondContact O-N 3.44Å; C1203-F1207 WeakPolarHBondContact O-CB 3.49Å; C1203-F1207 PolarHBondContact O-N 2.89Å |
| 1204 | E | 92.3 | Very high | 91 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 177.3 | -174 | 179.5 | 175.2 | 0 | 0 | 112.8 | S1200 A1201 L1202 W1206 F1207 K1208 | S1200-E1204 PolarHBondContact O-N 3.32Å; A1201-E1204 PolarHBondContact O-N 2.92Å; L1202-E1204 PolarHBondContact O-N 2.85Å; E1204-W1206 VanDerWaalsContact C-N 3.35Å; E1204-W1206 PolarHBondContact O-N 3.43Å; E1204-F1207 PolarHBondContact O-N 3.32Å; E1204-K1208 WeakPolarHBondContact O-CB 3.34Å; E1204-K1208 PolarHBondContact O-N 3.09Å |
| 1205 | C | 91 | Very high | 90.8 | Very high | 76 Ų | 76 | 51 Ų | 51 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 174.3 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | A1201 L1202 L1209 | A1201-C1205 PolarHBondContact O-N 3.03Å; A1201-C1205 PolarHBondContact O-SG 2.75Å; A1201-C1205 VanDerWaalsContact O-SG 3.36Å; L1202-C1205 PolarHBondContact O-N 3.16Å; C1205-L1209 WeakPolarHBondContact O-CB 3.39Å; C1205-L1209 PolarHBondContact O-N 3.09Å |
| 1206 | W | 93.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -40 | 176.4 | -87 | 99.8 | 0 | 0 | 0 | 113.2 | F1064 S1066 V1085 L1087 L1092 L1180 F1197 L1202 C1203 E1204 L1209 I1210 | F1064-W1206 HydrophobicContact CB-CH2 4.21Å; F1064-W1206 HydrophobicContact CB-CZ2 4.31Å; S1066-W1206 PolarHBondContact OG-NE1 3.34Å; V1085-W1206 HydrophobicContact CB-CH2 4.44Å; V1085-W1206 HydrophobicContact CG1-CH2 4.22Å; V1085-W1206 HydrophobicContact CG1-CZ3 4.46Å; L1087-W1206 HydrophobicContact CB-CH2 4.2Å; L1087-W1206 HydrophobicContact CB-CZ3 4.02Å; L1092-W1206 HydrophobicContact CD2-CZ3 3.75Å; L1180-W1206 HydrophobicContact CD1-CB 4.37Å; F1197-W1206 AromaticContact CD1-CD1 3.86Å; F1197-W1206 HydrophobicContact CD1-CG 4.46Å; F1197-W1206 HydrophobicContact CE1-CB 4.01Å; F1197-W1206 AromaticContact CE1-CD1 3.31Å; F1197-W1206 HydrophobicContact CE1-CD2 4.17Å; F1197-W1206 AromaticContact CE1-CG 3.57Å; F1197-W1206 HydrophobicContact CE1-CG 3.57Å; F1197-W1206 AromaticContact CE1-NE1 3.75Å; F1197-W1206 HydrophobicContact CE2-CB 4.43Å; F1197-W1206 HydrophobicContact CZ-CB 3.77Å; F1197-W1206 AromaticContact CZ-CD1 3.98Å; F1197-W1206 HydrophobicContact CZ-CD2 4.4Å; F1197-W1206 AromaticContact CZ-CG 3.78Å; F1197-W1206 HydrophobicContact CZ-CG 3.78Å; L1202-W1206 PolarHBondContact O-N 2.63Å; C1203-W1206 PolarHBondContact O-N 3.44Å; E1204-W1206 VanDerWaalsContact C-N 3.35Å; E1204-W1206 PolarHBondContact O-N 3.43Å; W1206-L1209 HydrophobicContact CD2-CD2 4.46Å; W1206-L1209 HydrophobicContact CE3-CD2 4.02Å; W1206-L1209 HydrophobicContact CZ3-CD2 4.16Å; W1206-L1209 PolarHBondContact O-N 2.87Å; W1206-I1210 HydrophobicContact CE3-CD1 4.21Å; W1206-I1210 HydrophobicContact CE3-CG1 4.37Å; W1206-I1210 WeakPolarHBondContact O-CB 3.48Å; W1206-I1210 VanDerWaalsContact O-CG1 3.27Å; W1206-I1210 WeakPolarHBondContact O-CG1 3.46Å; W1206-I1210 PolarHBondContact O-N 2.63Å |
| 1207 | F | 93.4 | Very high | 89.7 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 175.4 | 178.3 | -102.9 | 0 | 0 | 0 | 111.3 | V1160 Y1162 L1180 C1203 E1204 I1210 Q1211 | V1160-F1207 HydrophobicContact CG1-CD2 4.06Å; V1160-F1207 HydrophobicContact CG1-CE2 4.04Å; V1160-F1207 HydrophobicContact CG2-CD2 4.03Å; V1160-F1207 HydrophobicContact CG2-CE2 4.45Å; V1160-F1207 WeakPolarHBondContact O-CE2 3.44Å; Y1162-F1207 HydrophobicContact CD2-CD2 4.45Å; Y1162-F1207 HydrophobicContact CD2-CE2 4.33Å; Y1162-F1207 HydrophobicContact CD2-CZ 4.4Å; Y1162-F1207 AromaticContact CE2-CD1 3.64Å; Y1162-F1207 HydrophobicContact CE2-CD1 3.64Å; Y1162-F1207 HydrophobicContact CE2-CD2 4.01Å; Y1162-F1207 AromaticContact CE2-CE1 3.73Å; Y1162-F1207 HydrophobicContact CE2-CE1 3.73Å; Y1162-F1207 HydrophobicContact CE2-CE2 4.09Å; Y1162-F1207 AromaticContact CE2-CG 3.79Å; Y1162-F1207 HydrophobicContact CE2-CG 3.79Å; Y1162-F1207 AromaticContact CE2-CZ 3.96Å; Y1162-F1207 HydrophobicContact CE2-CZ 3.96Å; Y1162-F1207 AromaticContact CZ-CD1 3.79Å; Y1162-F1207 AromaticContact CZ-CG 3.74Å; Y1162-F1207 WeakPolarHBondContact OH-CD1 3.03Å; L1180-F1207 HydrophobicContact CD1-CB 3.95Å; L1180-F1207 HydrophobicContact CD2-CB 3.99Å; L1180-F1207 HydrophobicContact CD2-CD2 3.98Å; L1180-F1207 HydrophobicContact CD2-CG 4.35Å; C1203-F1207 WeakPolarHBondContact O-CB 3.49Å; C1203-F1207 PolarHBondContact O-N 2.89Å; E1204-F1207 PolarHBondContact O-N 3.32Å; F1207-I1210 PolarHBondContact O-N 2.65Å; F1207-Q1211 HydrophobicContact CD1-CG 4.42Å; F1207-Q1211 HydrophobicContact CD2-CG 4.5Å; F1207-Q1211 HydrophobicContact CE1-CG 4.07Å; F1207-Q1211 HydrophobicContact CE2-CG 4.14Å; F1207-Q1211 HydrophobicContact CZ-CG 3.91Å; F1207-Q1211 WeakPolarHBondContact O-CB 3.45Å; F1207-Q1211 WeakPolarHBondContact O-CG 3.44Å; F1207-Q1211 PolarHBondContact O-N 2.74Å |
| 1208 | K | 91.7 | Very high | 89.1 | Confident | 134 Ų | 134 | 60.3 Ų | 60.3 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.7 | -45.8 | 179.5 | -175 | 179.3 | 177.7 | -175.5 | 0 | 111.7 | E1204 Q1211 D1212 | E1204-K1208 WeakPolarHBondContact O-CB 3.34Å; E1204-K1208 PolarHBondContact O-N 3.09Å; K1208-Q1211 WeakPolarHBondContact O-CB 3.45Å; K1208-Q1211 PolarHBondContact O-N 2.67Å; K1208-D1212 PolarHBondContact O-N 3.28Å |
| 1209 | L | 88.8 | Confident | 88.4 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -50 | 177.6 | 175.5 | 67.9 | 0 | 0 | 0 | 112.6 | F1064 L1087 C1205 W1206 Q1211 D1212 V1213 | F1064-L1209 HydrophobicContact CB-CD2 3.45Å; F1064-L1209 VanDerWaalsContact CB-CD2 3.45Å; F1064-L1209 HydrophobicContact CD1-CD2 3.81Å; F1064-L1209 HydrophobicContact CD2-CD1 3.52Å; F1064-L1209 HydrophobicContact CD2-CD2 3.5Å; F1064-L1209 VanDerWaalsContact CD2-CD2 3.5Å; F1064-L1209 HydrophobicContact CD2-CG 4.14Å; F1064-L1209 HydrophobicContact CE1-CD2 4.45Å; F1064-L1209 HydrophobicContact CE2-CD1 3.61Å; F1064-L1209 HydrophobicContact CE2-CD2 4.19Å; F1064-L1209 HydrophobicContact CG-CD1 4.22Å; F1064-L1209 HydrophobicContact CG-CD2 3.28Å; F1064-L1209 HydrophobicContact CG-CG 4.37Å; F1064-L1209 HydrophobicContact CZ-CD1 4.35Å; L1087-L1209 HydrophobicContact CD2-CD1 4.05Å; L1087-L1209 HydrophobicContact CD2-CD2 3.61Å; L1087-L1209 HydrophobicContact CD2-CG 3.62Å; C1205-L1209 WeakPolarHBondContact O-CB 3.39Å; C1205-L1209 PolarHBondContact O-N 3.09Å; W1206-L1209 HydrophobicContact CD2-CD2 4.46Å; W1206-L1209 HydrophobicContact CE3-CD2 4.02Å; W1206-L1209 HydrophobicContact CZ3-CD2 4.16Å; W1206-L1209 PolarHBondContact O-N 2.87Å; L1209-Q1211 VanDerWaalsContact C-N 3.32Å; L1209-Q1211 PolarHBondContact O-N 2.72Å; L1209-D1212 PolarHBondContact O-N 3.25Å; L1209-V1213 PolarHBondContact O-N 3.49Å |
| 1210 | I | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.3 | -66.2 | 165.8 | 0 | 0 | 0 | 109.8 | L1092 L1153 F1158 V1160 W1206 F1207 D1212 V1213 L1214 | L1092-I1210 HydrophobicContact CD1-CD1 4.26Å; L1153-I1210 HydrophobicContact CD2-CG2 4.25Å; F1158-I1210 HydrophobicContact CE1-CG2 3.68Å; F1158-I1210 HydrophobicContact CZ-CG2 4.04Å; V1160-I1210 HydrophobicContact CB-CG2 4.25Å; V1160-I1210 HydrophobicContact CG1-CB 4.18Å; V1160-I1210 HydrophobicContact CG1-CG2 3.67Å; W1206-I1210 HydrophobicContact CE3-CD1 4.21Å; W1206-I1210 HydrophobicContact CE3-CG1 4.37Å; W1206-I1210 WeakPolarHBondContact O-CB 3.48Å; W1206-I1210 VanDerWaalsContact O-CG1 3.27Å; W1206-I1210 WeakPolarHBondContact O-CG1 3.46Å; W1206-I1210 PolarHBondContact O-N 2.63Å; F1207-I1210 PolarHBondContact O-N 2.65Å; I1210-D1212 PolarHBondContact O-N 2.85Å; I1210-V1213 PolarHBondContact O-N 3.44Å; I1210-L1214 HydrophobicContact CG2-CD1 4.15Å; I1210-L1214 HydrophobicContact CG2-CG 4.44Å; I1210-L1214 WeakPolarHBondContact O-CB 3.29Å; I1210-L1214 VanDerWaalsContact O-CG 3.29Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 2.93Å |
| 1211 | Q | 89.9 | Confident | 86.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 175.5 | -73.9 | -73.2 | -12.7 | 0 | 0 | 113.1 | V1160 F1207 K1208 L1209 L1214 K1215 | V1160-Q1211 HydrophobicContact CG1-CG 4.09Å; V1160-Q1211 PolarHBondContact O-NE2 3.19Å; F1207-Q1211 HydrophobicContact CD1-CG 4.42Å; F1207-Q1211 HydrophobicContact CD2-CG 4.5Å; F1207-Q1211 HydrophobicContact CE1-CG 4.07Å; F1207-Q1211 HydrophobicContact CE2-CG 4.14Å; F1207-Q1211 HydrophobicContact CZ-CG 3.91Å; F1207-Q1211 WeakPolarHBondContact O-CB 3.45Å; F1207-Q1211 WeakPolarHBondContact O-CG 3.44Å; F1207-Q1211 PolarHBondContact O-N 2.74Å; K1208-Q1211 WeakPolarHBondContact O-CB 3.45Å; K1208-Q1211 PolarHBondContact O-N 2.67Å; L1209-Q1211 VanDerWaalsContact C-N 3.32Å; L1209-Q1211 PolarHBondContact O-N 2.72Å; Q1211-L1214 PolarHBondContact O-N 3.34Å; Q1211-K1215 WeakPolarHBondContact O-CD 3.47Å; Q1211-K1215 WeakPolarHBondContact O-CE 3.2Å; Q1211-K1215 VanDerWaalsContact O-CG 3.27Å; Q1211-K1215 WeakPolarHBondContact O-CG 3.49Å; Q1211-K1215 PolarHBondContact O-N 2.63Å |
| 1212 | D | 88.7 | Confident | 84.8 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.4 | -35.8 | 177.8 | -72.3 | -27.4 | 0 | 0 | 0 | 112.2 | K1208 L1209 I1210 K1215 L1216 | K1208-D1212 PolarHBondContact O-N 3.28Å; L1209-D1212 PolarHBondContact O-N 3.25Å; I1210-D1212 PolarHBondContact O-N 2.85Å; D1212-K1215 PolarHBondContact O-N 3.05Å; D1212-K1215 IonicContact OD1-NZ 3.82Å; D1212-K1215 PolarHBondContact OD1-NZ 2.86Å; D1212-L1216 PolarHBondContact O-N 2.75Å |
| 1213 | V | 87.3 | Confident | 83.2 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 169.6 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | L1087 K1090 L1153 L1209 I1210 L1216 V1217 | L1087-V1213 HydrophobicContact CD2-CG2 4.15Å; K1090-V1213 HydrophobicContact CG-CG1 4.46Å; L1153-V1213 HydrophobicContact CD1-CB 4.19Å; L1153-V1213 HydrophobicContact CD1-CG1 3.64Å; L1209-V1213 PolarHBondContact O-N 3.49Å; I1210-V1213 PolarHBondContact O-N 3.44Å; V1213-L1216 WeakPolarHBondContact O-CB 3.42Å; V1213-L1216 PolarHBondContact O-N 3.3Å; V1213-V1217 HydrophobicContact CG1-CG2 4.36Å; V1213-V1217 WeakPolarHBondContact O-CB 3.29Å; V1213-V1217 WeakPolarHBondContact O-CG2 3.32Å; V1213-V1217 PolarHBondContact O-N 2.81Å |
| 1214 | L | 86 | Confident | 81.6 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 173.2 | -74.8 | 170.4 | 0 | 0 | 0 | 112.4 | L1153 F1158 V1160 I1210 Q1211 L1216 V1217 Q1218 | L1153-L1214 HydrophobicContact CB-CD2 4.33Å; L1153-L1214 WeakPolarHBondContact O-CD2 3.32Å; F1158-L1214 HydrophobicContact CD1-CD1 3.81Å; F1158-L1214 HydrophobicContact CD1-CD2 3.55Å; F1158-L1214 HydrophobicContact CD1-CG 4.16Å; F1158-L1214 HydrophobicContact CE1-CD1 3.9Å; F1158-L1214 HydrophobicContact CE1-CD2 4.21Å; F1158-L1214 HydrophobicContact CE1-CG 4.38Å; F1158-L1214 HydrophobicContact CG-CD2 4.34Å; V1160-L1214 HydrophobicContact CG1-CD1 4.46Å; I1210-L1214 HydrophobicContact CG2-CD1 4.15Å; I1210-L1214 HydrophobicContact CG2-CG 4.44Å; I1210-L1214 WeakPolarHBondContact O-CB 3.29Å; I1210-L1214 VanDerWaalsContact O-CG 3.29Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 2.93Å; Q1211-L1214 PolarHBondContact O-N 3.34Å; L1214-L1216 VanDerWaalsContact C-N 3.29Å; L1214-L1216 PolarHBondContact O-N 3.11Å; L1214-V1217 WeakPolarHBondContact O-CB 3.45Å; L1214-V1217 PolarHBondContact O-N 3.2Å; L1214-Q1218 WeakPolarHBondContact O-CB 2.85Å; L1214-Q1218 VanDerWaalsContact O-CG 3.29Å; L1214-Q1218 WeakPolarHBondContact O-CG 3.29Å; L1214-Q1218 PolarHBondContact O-N 2.79Å |
| 1215 | K | 85.7 | Confident | 80 | Confident | 92 Ų | 92 | 74 Ų | 74 | 40% | 0.4 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 173.1 | -66.8 | 160.8 | -152 | 164.5 | 0 | 111.4 | Q1211 D1212 R1219 | Q1211-K1215 WeakPolarHBondContact O-CD 3.47Å; Q1211-K1215 WeakPolarHBondContact O-CE 3.2Å; Q1211-K1215 VanDerWaalsContact O-CG 3.27Å; Q1211-K1215 WeakPolarHBondContact O-CG 3.49Å; Q1211-K1215 PolarHBondContact O-N 2.63Å; D1212-K1215 PolarHBondContact O-N 3.05Å; D1212-K1215 IonicContact OD1-NZ 3.82Å; D1212-K1215 PolarHBondContact OD1-NZ 2.86Å; K1215-R1219 VanDerWaalsContact O-CG 3.29Å; K1215-R1219 WeakPolarHBondContact O-CG 3.47Å; K1215-R1219 PolarHBondContact O-N 2.73Å |
| 1216 | L | 82.9 | Confident | 78.8 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 41% | 0.414 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175 | -173.6 | 68.7 | 0 | 0 | 0 | 111.5 | D1212 V1213 L1214 R1219 H1220 | D1212-L1216 PolarHBondContact O-N 2.75Å; V1213-L1216 WeakPolarHBondContact O-CB 3.42Å; V1213-L1216 PolarHBondContact O-N 3.3Å; L1214-L1216 VanDerWaalsContact C-N 3.29Å; L1214-L1216 PolarHBondContact O-N 3.11Å; L1216-R1219 PolarHBondContact O-N 2.84Å; L1216-H1220 PolarHBondContact O-ND1 2.92Å |
| 1217 | V | 81.3 | Confident | 77.4 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 175.9 | 160.2 | 0 | 0 | 0 | 0 | 111.4 | K1090 R1154 V1213 L1214 R1219 H1220 I1221 | K1090-V1217 HydrophobicContact CB-CG2 4.34Å; K1090-V1217 HydrophobicContact CD-CG2 4.08Å; K1090-V1217 HydrophobicContact CG-CG2 4.31Å; R1154-V1217 HydrophobicContact CB-CG1 4.2Å; R1154-V1217 HydrophobicContact CG-CB 4.41Å; R1154-V1217 HydrophobicContact CG-CG1 3.74Å; R1154-V1217 HydrophobicContact CG-CG2 3.74Å; V1213-V1217 HydrophobicContact CG1-CG2 4.36Å; V1213-V1217 WeakPolarHBondContact O-CB 3.29Å; V1213-V1217 WeakPolarHBondContact O-CG2 3.32Å; V1213-V1217 PolarHBondContact O-N 2.81Å; L1214-V1217 WeakPolarHBondContact O-CB 3.45Å; L1214-V1217 PolarHBondContact O-N 3.2Å; V1217-R1219 VanDerWaalsContact C-N 3.26Å; V1217-R1219 PolarHBondContact O-N 3.28Å; V1217-H1220 PolarHBondContact O-N 3.34Å; V1217-I1221 HydrophobicContact CG1-CD1 3.4Å; V1217-I1221 VanDerWaalsContact CG1-CD1 3.4Å; V1217-I1221 HydrophobicContact CG1-CG1 3.94Å; V1217-I1221 PolarHBondContact O-N 2.9Å |
| 1218 | Q | 79.6 | Confident | 76 | Confident | 135 Ų | 135 | 78.6 Ų | 78.6 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.1 | -35.3 | -179 | -73.2 | 169.8 | -5.1 | 0 | 0 | 112.7 | L1214 H1220 | L1214-Q1218 WeakPolarHBondContact O-CB 2.85Å; L1214-Q1218 VanDerWaalsContact O-CG 3.29Å; L1214-Q1218 WeakPolarHBondContact O-CG 3.29Å; L1214-Q1218 PolarHBondContact O-N 2.79Å; Q1218-H1220 VanDerWaalsContact C-N 3.31Å; Q1218-H1220 PolarHBondContact O-N 3.45Å |
| 1219 | R | 76.8 | Confident | 74.9 | Confident | 192 Ų | 192 | 72.3 Ų | 72.3 | 73% | 0.725 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 174.4 | -73.3 | 170.4 | -177.3 | 179.9 | 1.2 | 113.5 | K1215 L1216 V1217 | K1215-R1219 VanDerWaalsContact O-CG 3.29Å; K1215-R1219 WeakPolarHBondContact O-CG 3.47Å; K1215-R1219 PolarHBondContact O-N 2.73Å; L1216-R1219 PolarHBondContact O-N 2.84Å; V1217-R1219 VanDerWaalsContact C-N 3.26Å; V1217-R1219 PolarHBondContact O-N 3.28Å |
| 1220 | H | 71.6 | Confident | 74.2 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -101.8 | -22.8 | -175 | -65.4 | 85.9 | 0 | 0 | 0 | 114.1 | L1216 V1217 Q1218 S1222 T1223 | L1216-H1220 PolarHBondContact O-ND1 2.92Å; V1217-H1220 PolarHBondContact O-N 3.34Å; Q1218-H1220 VanDerWaalsContact C-N 3.31Å; Q1218-H1220 PolarHBondContact O-N 3.45Å; H1220-S1222 PolarHBondContact O-N 2.8Å; H1220-S1222 VanDerWaalsContact O-N 3.16Å; H1220-T1223 PolarHBondContact O-N 2.84Å; H1220-T1223 VanDerWaalsContact O-N 3.08Å; H1220-T1223 PolarHBondContact O-OG1 2.65Å |
| 1221 | I | 66.2 | Low | 73.3 | Confident | 71 Ų | 71 | 75 Ų | 75 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.4 | -34.1 | 178.6 | -83.2 | 177.2 | 0 | 0 | 0 | 112 | V1217 T1223 D1224 | V1217-I1221 HydrophobicContact CG1-CD1 3.4Å; V1217-I1221 VanDerWaalsContact CG1-CD1 3.4Å; V1217-I1221 HydrophobicContact CG1-CG1 3.94Å; V1217-I1221 PolarHBondContact O-N 2.9Å; I1221-T1223 PolarHBondContact O-N 3.48Å; I1221-T1223 VanDerWaalsContact O-N 3.08Å; I1221-D1224 PolarHBondContact O-N 3.41Å; I1221-D1224 VanDerWaalsContact O-N 3.11Å |
| 1222 | S | 57.8 | Low | 72.6 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -11.7 | 179.8 | 67.4 | 0 | 0 | 0 | 0 | 115.2 | H1220 | H1220-S1222 PolarHBondContact O-N 2.8Å; H1220-S1222 VanDerWaalsContact O-N 3.16Å |
| 1223 | T | 59 | Low | 71.8 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -10.9 | 174.1 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | H1220 I1221 N1225 | H1220-T1223 PolarHBondContact O-N 2.84Å; H1220-T1223 VanDerWaalsContact O-N 3.08Å; H1220-T1223 PolarHBondContact O-OG1 2.65Å; I1221-T1223 PolarHBondContact O-N 3.48Å; I1221-T1223 VanDerWaalsContact O-N 3.08Å; T1223-N1225 PolarHBondContact O-N 2.93Å |
| 1224 | D | 57.7 | Low | 71 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -91.7 | 98.6 | -175.1 | -86.9 | -28.6 | 0 | 0 | 0 | 112.6 | I1221 E1226 S1227 | I1221-D1224 PolarHBondContact O-N 3.41Å; I1221-D1224 VanDerWaalsContact O-N 3.11Å; D1224-E1226 PolarHBondContact O-N 2.89Å; D1224-E1226 VanDerWaalsContact O-N 3.14Å; D1224-S1227 WeakPolarHBondContact O-CB 3.36Å; D1224-S1227 PolarHBondContact O-N 3.17Å; D1224-S1227 PolarHBondContact O-OG 3.03Å | ||
| 1225 | N | 59.9 | Low | 70.3 | Confident | 144 Ų | 144 | 77 Ų | 77 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -59 | -20.3 | 169.9 | -79.3 | -25 | 0 | 0 | 0 | 113.4 | T1223 S1227 | T1223-N1225 PolarHBondContact O-N 2.93Å; N1225-S1227 PolarHBondContact O-N 3.23Å |
| 1226 | E | 66 | Low | 69 | Low | 50 Ų | 50 | 76 Ų | 76 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -69.6 | -10 | 178.8 | -56.9 | -161 | 126.6 | 0 | 0 | 113.7 | D1224 Q1228 C1229 N1501 V1508 | D1224-E1226 PolarHBondContact O-N 2.89Å; D1224-E1226 VanDerWaalsContact O-N 3.14Å; E1226-Q1228 PolarHBondContact O-N 3.47Å; E1226-C1229 WeakPolarHBondContact O-CB 3.41Å; E1226-C1229 PolarHBondContact O-N 3.19Å; E1226-C1229 PolarHBondContact O-SG 3.01Å; E1226-N1501 PolarHBondContact OE1-ND2 3.38Å; E1226-V1508 HydrophobicContact CB-CB 4.46Å; E1226-V1508 VanDerWaalsContact CD-CG1 3.43Å; E1226-V1508 WeakPolarHBondContact OE1-CG1 2.94Å; E1226-V1508 WeakPolarHBondContact OE2-CG1 3.36Å |
| 1227 | S | 62.8 | Low | 67.7 | Low | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -53.5 | -20.6 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | D1224 N1225 | D1224-S1227 WeakPolarHBondContact O-CB 3.36Å; D1224-S1227 PolarHBondContact O-N 3.17Å; D1224-S1227 PolarHBondContact O-OG 3.03Å; N1225-S1227 PolarHBondContact O-N 3.23Å |
| 1228 | Q | 64.4 | Low | 66.4 | Low | 99 Ų | 99 | 77.4 Ų | 77.4 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -83.7 | -4.5 | 178.5 | -56.1 | -170.1 | 20.1 | 0 | 0 | 115 | E1226 L1230 | E1226-Q1228 PolarHBondContact O-N 3.47Å; Q1228-L1230 VanDerWaalsContact C-N 3.32Å; Q1228-L1230 PolarHBondContact O-N 3.24Å |
| 1229 | C | 69.5 | Low | 65.1 | Low | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -70.3 | -17.3 | -172.7 | 67.8 | 0 | 0 | 0 | 0 | 115.9 | E1226 Y1488 V1508 | E1226-C1229 WeakPolarHBondContact O-CB 3.41Å; E1226-C1229 PolarHBondContact O-N 3.19Å; E1226-C1229 PolarHBondContact O-SG 3.01Å; C1229-Y1488 HydrophobicContact CB-CD1 4.16Å; C1229-Y1488 HydrophobicContact CB-CD2 4.25Å; C1229-Y1488 HydrophobicContact CB-CE1 3.93Å; C1229-Y1488 HydrophobicContact CB-CE2 4.01Å; C1229-Y1488 HydrophobicContact CB-CG 4.32Å; C1229-V1508 HydrophobicContact CB-CG2 4.34Å |
| 1230 | L | 73.8 | Confident | 64.2 | Low | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | trans | -133.7 | 75.2 | 179.2 | -78.6 | -178.4 | 0 | 0 | 0 | 111.9 | Y1187 Q1228 Y1490 L1497 V1499 L1511 I1582 | Y1187-L1230 PolarHBondContact OH-O 2.83Å; Q1228-L1230 VanDerWaalsContact C-N 3.32Å; Q1228-L1230 PolarHBondContact O-N 3.24Å; L1230-Y1490 HydrophobicContact CD2-CE1 4.21Å; L1230-L1497 HydrophobicContact CD2-CD2 3.93Å; L1230-V1499 HydrophobicContact CD1-CG2 3.86Å; L1230-V1499 HydrophobicContact CD2-CG2 3.78Å; L1230-V1499 HydrophobicContact CG-CG2 3.85Å; L1230-L1511 HydrophobicContact CD1-CB 4.24Å; L1230-I1582 HydrophobicContact CD2-CG2 4.37Å | ||
| 1231 | Q | 72.4 | Confident | 63.5 | Low | 83 Ų | 83 | 61.3 Ų | 61.3 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 88.6 | 167.1 | -73.4 | -173.3 | 25 | 0 | 0 | 110.3 | H1583 | Q1231-H1583 HydrophobicContact CB-CB 3.77Å; Q1231-H1583 PolarHBondContact O-N 2.83Å |
| 1232 | V | 74.6 | Confident | 63.1 | Low | 18 Ų | 18 | 63.6 Ų | 63.6 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.6 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | L1511 R1580 L1581 | V1232-L1511 HydrophobicContact CG2-CD1 4.48Å; V1232-L1511 HydrophobicContact CG2-CD2 4.02Å; V1232-R1580 HydrophobicContact CG1-CB 4.42Å; V1232-L1581 WeakPolarHBondContact CA-O 3.25Å |
| 1233 | R | 72.2 | Confident | 63.1 | Low | 115 Ų | 115 | 62.8 Ų | 62.8 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.2 | 167.1 | -65.6 | -174.5 | 179.7 | 163.2 | -2 | 111 | R1580 L1581 H1583 | R1233-R1580 WeakPolarHBondContact O-CA 2.96Å; R1233-L1581 PolarHBondContact N-O 2.99Å; R1233-L1581 PolarHBondContact O-N 3.2Å; R1233-H1583 PolarHBondContact NH1-NE2 3.29Å |
| 1234 | D | 71.8 | Confident | 63.3 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.8 | 166.9 | -77 | -42 | 0 | 0 | 0 | 110 | S1236 R1580 | D1234-S1236 PolarHBondContact O-N 3.1Å; D1234-S1236 VanDerWaalsContact O-N 3.17Å; D1234-R1580 IonicContact OD1-CZ 3.93Å; D1234-R1580 VanDerWaalsContact OD1-CZ 3.29Å; D1234-R1580 IonicContact OD1-NE 3.9Å; D1234-R1580 PolarHBondContact OD1-NE 2.99Å; D1234-R1580 IonicContact OD1-NH2 2.62Å; D1234-R1580 PolarHBondContact OD1-NH2 3.01Å; D1234-R1580 IonicContact OD2-NH2 2.73Å |
| 1235 | V | 70.9 | Confident | 63.6 | Low | 10 Ų | 10 | 63.2 Ų | 63.2 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | trans | -81.6 | 93.7 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | V1237 I1271 L1525 L1579 L1581 M1608 | V1235-V1237 VanDerWaalsContact C-N 3.28Å; V1235-V1237 HydrophobicContact CG1-CG2 4.04Å; V1235-V1237 PolarHBondContact O-N 2.9Å; V1235-I1271 HydrophobicContact CG1-CD1 3.77Å; V1235-I1271 HydrophobicContact CG1-CG1 4.17Å; V1235-I1271 HydrophobicContact CG1-CG2 4.45Å; V1235-L1525 HydrophobicContact CG2-CD2 4.5Å; V1235-L1579 HydrophobicContact CB-CB 4.25Å; V1235-L1579 HydrophobicContact CB-CD2 4.09Å; V1235-L1579 HydrophobicContact CB-CG 4.14Å; V1235-L1579 WeakPolarHBondContact CB-O 3.47Å; V1235-L1579 HydrophobicContact CG1-CD2 4.07Å; V1235-L1579 HydrophobicContact CG2-CD2 4.19Å; V1235-L1579 HydrophobicContact CG2-CG 4Å; V1235-L1579 PolarHBondContact N-O 2.81Å; V1235-L1581 HydrophobicContact CG2-CB 4.23Å; V1235-M1608 HydrophobicContact CB-CE 4.34Å; V1235-M1608 HydrophobicContact CG1-CE 4.05Å; V1235-M1608 HydrophobicContact CG1-SD 4.45Å; V1235-M1608 HydrophobicContact CG2-CE 3.75Å | ||
| 1236 | S | 57.6 | Low | 64.7 | Low | 73 Ų | 73 | 61.6 Ų | 61.6 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | trans | -69.6 | 72.8 | -164.3 | 64.1 | 0 | 0 | 0 | 0 | 114 | D1234 | D1234-S1236 PolarHBondContact O-N 3.1Å; D1234-S1236 VanDerWaalsContact O-N 3.17Å | ||
| 1237 | V | 55.5 | Low | 65.7 | Low | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | trans | -139.1 | 80.1 | -174.5 | -163 | 0 | 0 | 0 | 0 | 110.1 | V1235 S1239 V1240 I1271 N1274 | V1235-V1237 VanDerWaalsContact C-N 3.28Å; V1235-V1237 HydrophobicContact CG1-CG2 4.04Å; V1235-V1237 PolarHBondContact O-N 2.9Å; V1237-S1239 PolarHBondContact O-N 3.07Å; V1237-V1240 HydrophobicContact CB-CB 4.2Å; V1237-V1240 HydrophobicContact CB-CG2 3.93Å; V1237-V1240 HydrophobicContact CG1-CB 4.1Å; V1237-V1240 HydrophobicContact CG1-CG2 3.43Å; V1237-V1240 VanDerWaalsContact CG1-CG2 3.43Å; V1237-V1240 PolarHBondContact O-N 3.4Å; V1237-I1271 HydrophobicContact CG2-CG2 4.16Å; V1237-N1274 WeakPolarHBondContact CG1-OD1 2.99Å | ||
| 1238 | S | 54 | Low | 67 | Low | 103 Ų | 103 | 58 Ų | 58 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -51.4 | -32.5 | -179.2 | -50.1 | 0 | 0 | 0 | 0 | 113.2 | V1242 | S1238-V1242 WeakPolarHBondContact O-CG2 3.37Å |
| 1239 | S | 53.5 | Low | 68.3 | Low | 34 Ų | 34 | 53.7 Ų | 53.7 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 176 | -28.1 | 0 | 0 | 0 | 0 | 113.3 | V1237 V1242 I1243 N1274 | V1237-S1239 PolarHBondContact O-N 3.07Å; S1239-V1242 PolarHBondContact O-N 2.8Å; S1239-I1243 VanDerWaalsContact O-CB 3.28Å; S1239-I1243 WeakPolarHBondContact O-CB 3.04Å; S1239-I1243 WeakPolarHBondContact O-CD1 3.3Å; S1239-I1243 WeakPolarHBondContact O-CG1 2.96Å; S1239-I1243 PolarHBondContact O-N 3.49Å; S1239-N1274 WeakPolarHBondContact CB-OD1 3.41Å; S1239-N1274 VanDerWaalsContact OG-CG 3.31Å; S1239-N1274 PolarHBondContact OG-ND2 3.35Å; S1239-N1274 PolarHBondContact OG-OD1 2.88Å |
| 1240 | V | 57.7 | Low | 69.4 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.4 | -47.8 | -171.5 | 167 | 0 | 0 | 0 | 0 | 110.9 | V1237 V1242 I1243 L1244 I1247 V1269 | V1237-V1240 HydrophobicContact CB-CB 4.2Å; V1237-V1240 HydrophobicContact CB-CG2 3.93Å; V1237-V1240 HydrophobicContact CG1-CB 4.1Å; V1237-V1240 HydrophobicContact CG1-CG2 3.43Å; V1237-V1240 VanDerWaalsContact CG1-CG2 3.43Å; V1237-V1240 PolarHBondContact O-N 3.4Å; V1240-V1242 VanDerWaalsContact C-N 3.28Å; V1240-V1242 PolarHBondContact O-N 3.3Å; V1240-I1243 PolarHBondContact O-N 2.74Å; V1240-L1244 HydrophobicContact CG1-CD1 4.2Å; V1240-L1244 WeakPolarHBondContact O-CB 3.47Å; V1240-L1244 PolarHBondContact O-N 2.91Å; V1240-I1247 HydrophobicContact CG1-CD1 4.46Å; V1240-V1269 HydrophobicContact CG2-CG1 3.58Å; V1240-V1269 HydrophobicContact CG2-CG2 4.32Å |
| 1241 | S | 57.1 | Low | 70.2 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -31.3 | 177 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | Q1577 | S1241-Q1577 WeakPolarHBondContact CB-O 3.37Å; S1241-Q1577 PolarHBondContact OG-O 2.62Å |
| 1242 | V | 57.7 | Low | 71 | Confident | 119 Ų | 119 | 51 Ų | 51 | 72% | 0.721 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -82.3 | -33.6 | 180 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | S1238 S1239 V1240 | S1238-V1242 WeakPolarHBondContact O-CG2 3.37Å; S1239-V1242 PolarHBondContact O-N 2.8Å; V1240-V1242 VanDerWaalsContact C-N 3.28Å; V1240-V1242 PolarHBondContact O-N 3.3Å |
| 1243 | I | 57.9 | Low | 71.6 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -90.4 | -40.3 | -175.2 | -63.5 | 166.8 | 0 | 0 | 0 | 112.1 | S1239 V1240 K1245 | S1239-I1243 VanDerWaalsContact O-CB 3.28Å; S1239-I1243 WeakPolarHBondContact O-CB 3.04Å; S1239-I1243 WeakPolarHBondContact O-CD1 3.3Å; S1239-I1243 WeakPolarHBondContact O-CG1 2.96Å; S1239-I1243 PolarHBondContact O-N 3.49Å; V1240-I1243 PolarHBondContact O-N 2.74Å; I1243-K1245 PolarHBondContact O-N 3.01Å |
| 1244 | L | 61.6 | Low | 72.3 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | trans | -94.5 | 74.1 | -176.8 | -57.6 | -171.3 | 0 | 0 | 0 | 111.2 | V1240 Q1246 I1247 A1260 T1262 Y1267 V1269 | V1240-L1244 HydrophobicContact CG1-CD1 4.2Å; V1240-L1244 WeakPolarHBondContact O-CB 3.47Å; V1240-L1244 PolarHBondContact O-N 2.91Å; L1244-Q1246 PolarHBondContact O-N 2.69Å; L1244-I1247 HydrophobicContact CB-CD1 4.07Å; L1244-I1247 HydrophobicContact CB-CG1 3.92Å; L1244-I1247 HydrophobicContact CD1-CD1 4.23Å; L1244-I1247 HydrophobicContact CD1-CG1 4.49Å; L1244-A1260 HydrophobicContact CD1-CB 4.05Å; L1244-T1262 HydrophobicContact CB-CG2 4.27Å; L1244-T1262 HydrophobicContact CD1-CG2 4.35Å; L1244-T1262 HydrophobicContact CD2-CG2 4.31Å; L1244-Y1267 HydrophobicContact CD1-CG 4.48Å; L1244-Y1267 HydrophobicContact CD2-CD1 3.77Å; L1244-Y1267 HydrophobicContact CD2-CD2 3.89Å; L1244-Y1267 HydrophobicContact CD2-CE1 3.82Å; L1244-Y1267 HydrophobicContact CD2-CE2 3.97Å; L1244-Y1267 HydrophobicContact CD2-CG 3.81Å; L1244-V1269 HydrophobicContact CD1-CG2 4.38Å | ||
| 1245 | K | 65.5 | Low | 72.9 | Confident | 181 Ų | 181 | 48.9 Ų | 48.9 | 79% | 0.787 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -46.1 | -30.6 | -174.8 | -67.7 | -174.2 | 176.1 | -176.3 | 0 | 116.3 | I1243 | I1243-K1245 PolarHBondContact O-N 3.01Š|
| 1246 | Q | 82.1 | Confident | 73.7 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 51% | 0.514 | 28% | 0.277 | S | S | . | . | trans | -150.5 | 109.7 | -177.2 | -169.7 | 158.1 | -52.1 | 0 | 0 | 110 | L1244 T1262 D1263 | L1244-Q1246 PolarHBondContact O-N 2.69Å; Q1246-T1262 WeakPolarHBondContact O-CA 3.14Å; Q1246-T1262 WeakPolarHBondContact O-CB 3.36Å; Q1246-T1262 WeakPolarHBondContact O-CG2 3.45Å; Q1246-D1263 WeakPolarHBondContact CG-OD2 3.4Å; Q1246-D1263 PolarHBondContact NE2-OD2 3.41Å | ||
| 1247 | I | 88.1 | Confident | 75.2 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.9 | 178.3 | -52.3 | 177 | 0 | 0 | 0 | 108.6 | V1240 L1244 A1260 T1262 L1519 | V1240-I1247 HydrophobicContact CG1-CD1 4.46Å; L1244-I1247 HydrophobicContact CB-CD1 4.07Å; L1244-I1247 HydrophobicContact CB-CG1 3.92Å; L1244-I1247 HydrophobicContact CD1-CD1 4.23Å; L1244-I1247 HydrophobicContact CD1-CG1 4.49Å; I1247-A1260 HydrophobicContact CG2-CB 4.32Å; I1247-T1262 HydrophobicContact CG1-CG2 4.19Å; I1247-L1519 HydrophobicContact CG2-CD1 3.97Å; I1247-L1519 HydrophobicContact CG2-CD2 4.14Å; I1247-L1519 WeakPolarHBondContact O-CD2 3.26Å |
| 1248 | N | 89.9 | Confident | 76.9 | Confident | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -34.3 | -176.4 | -64.4 | -26.6 | 0 | 0 | 0 | 112.3 | G1261 D1263 V1285 | N1248-G1261 PolarHBondContact N-O 3.14Å; N1248-D1263 PolarHBondContact ND2-OD1 2.88Å; N1248-V1285 WeakPolarHBondContact CB-O 3Å; N1248-V1285 PolarHBondContact ND2-O 3.2Å |
| 1249 | C | 91.4 | Very high | 78.7 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.054 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 159.6 | -176.6 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | G1261 Q1287 L1519 | C1249-G1261 PolarHBondContact N-O 2.57Å; C1249-G1261 PolarHBondContact O-N 2.9Å; C1249-Q1287 VanDerWaalsContact SG-CA 3.51Å; C1249-L1519 CarbonylContact C-O 3.44Å; C1249-L1519 WeakPolarHBondContact CA-O 3.36Å |
| 1250 | A | 91.7 | Very high | 80.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 154.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1258 L1259 L1519 S1520 L1525 | A1250-F1258 HydrophobicContact CB-CD2 4.41Å; A1250-L1259 CarbonylContact C-O 3.54Å; A1250-L1259 WeakPolarHBondContact CA-O 3.25Å; A1250-L1259 WeakPolarHBondContact CB-O 3.44Å; A1250-L1519 HydrophobicContact CB-CB 3.74Å; A1250-L1519 HydrophobicContact CB-CD1 4.15Å; A1250-L1519 PolarHBondContact N-O 3.25Å; A1250-S1520 WeakPolarHBondContact O-CB 3.25Å; A1250-L1525 HydrophobicContact CB-CB 4.41Å; A1250-L1525 HydrophobicContact CB-CD1 3.8Å |
| 1251 | S | 91.2 | Very high | 82.3 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 135.8 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | L1253 F1258 L1259 A1290 | S1251-L1253 PolarHBondContact O-N 2.92Å; S1251-F1258 WeakPolarHBondContact O-CA 3.35Å; S1251-L1259 PolarHBondContact N-O 2.82Å; S1251-L1259 PolarHBondContact O-N 2.8Å; S1251-A1290 PolarHBondContact OG-N 2.71Å |
| 1252 | V | 89.4 | Confident | 83.9 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.6 | -179.3 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | D1254 L1525 R1604 L1606 | V1252-D1254 WeakPolarHBondContact CG1-O 3.01Å; V1252-L1525 HydrophobicContact CG2-CD1 3.95Å; V1252-L1525 HydrophobicContact CG2-CG 4.35Å; V1252-R1604 HydrophobicContact CB-CB 3.9Å; V1252-R1604 WeakPolarHBondContact CB-O 3.5Å; V1252-R1604 HydrophobicContact CG1-CB 3.55Å; V1252-R1604 PolarHBondContact O-NH1 2.75Å; V1252-L1606 HydrophobicContact CB-CG 4.47Å; V1252-L1606 HydrophobicContact CG1-CD2 3.8Å; V1252-L1606 HydrophobicContact CG1-CG 3.8Å; V1252-L1606 HydrophobicContact CG2-CD1 3.93Å; V1252-L1606 HydrophobicContact CG2-CG 3.85Å |
| 1253 | L | 87.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | trans | -88.2 | -42.7 | -179.4 | -175.1 | 66.2 | 0 | 0 | 0 | 111.5 | S1251 R1257 L1259 I1268 A1290 V1313 F1316 R1604 | S1251-L1253 PolarHBondContact O-N 2.92Å; L1253-R1257 WeakPolarHBondContact CA-O 3.3Å; L1253-R1257 HydrophobicContact CB-CB 4.38Å; L1253-R1257 WeakPolarHBondContact CB-O 3.35Å; L1253-R1257 HydrophobicContact CD2-CB 4.46Å; L1253-R1257 PolarHBondContact N-O 3.02Å; L1253-L1259 HydrophobicContact CB-CG 4.45Å; L1253-L1259 HydrophobicContact CD2-CD2 4.47Å; L1253-I1268 HydrophobicContact CD2-CD1 3.5Å; L1253-I1268 VanDerWaalsContact CD2-CD1 3.5Å; L1253-A1290 HydrophobicContact CD1-CB 4.15Å; L1253-V1313 HydrophobicContact CD1-CG2 4.14Å; L1253-F1316 HydrophobicContact CD1-CD2 3.95Å; L1253-F1316 HydrophobicContact CD1-CE2 4.08Å; L1253-F1316 HydrophobicContact CD2-CB 4.23Å; L1253-F1316 HydrophobicContact CD2-CD2 3.79Å; L1253-F1316 HydrophobicContact CD2-CG 4.33Å; L1253-R1604 WeakPolarHBondContact O-CD 3.48Å; L1253-R1604 PolarHBondContact O-NE 3.5Å; L1253-R1604 VanDerWaalsContact O-NE 3.15Å; L1253-R1604 PolarHBondContact O-NH1 3.17Å | ||
| 1254 | D | 86.3 | Confident | 86.8 | Confident | 35 Ų | 35 | 38 Ų | 38 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -156.9 | -168.3 | 175.7 | 58.8 | 53.9 | 0 | 0 | 0 | 110.6 | V1252 Y1256 R1257 L1606 | V1252-D1254 WeakPolarHBondContact CG1-O 3.01Å; D1254-Y1256 PolarHBondContact O-N 3.44Å; D1254-Y1256 VanDerWaalsContact O-N 3.08Å; D1254-Y1256 PolarHBondContact OD1-N 3.26Å; D1254-R1257 PolarHBondContact N-O 2.81Å; D1254-R1257 VanDerWaalsContact N-O 3.12Å; D1254-R1257 WeakPolarHBondContact OD1-CB 3.47Å; D1254-R1257 PolarHBondContact OD1-N 2.79Å; D1254-R1257 IonicContact OD1-NE 2.72Å; D1254-R1257 IonicContact OD2-CZ 3.96Å; D1254-R1257 IonicContact OD2-NE 3.5Å; D1254-R1257 PolarHBondContact OD2-NE 3.36Å; D1254-R1257 IonicContact OD2-NH2 2.65Å; D1254-R1257 PolarHBondContact OD2-NH2 3.16Å; D1254-L1606 WeakPolarHBondContact O-CD2 3.34Å |
| 1255 | E | 85.3 | Confident | 88.3 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -54.1 | -24.1 | 179.8 | -66.7 | -179.6 | 163.2 | 0 | 0 | 114.5 | L1606 Q1607 | E1255-L1606 CarbonylContact O-C 3.5Å; E1255-L1606 WeakPolarHBondContact O-CA 3.31Å; E1255-Q1607 HydrophobicContact CB-CB 4.42Å; E1255-Q1607 PolarHBondContact O-N 3.19Å |
| 1256 | Y | 86.2 | Confident | 89.6 | Confident | 45 Ų | 45 | 29.2 Ų | 29.2 | 18% | 0.176 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -133.7 | -14.7 | -171.7 | -52.5 | -77.9 | 0 | 0 | 0 | 114.4 | D1254 I1271 R1272 Q1607 | D1254-Y1256 PolarHBondContact O-N 3.44Å; D1254-Y1256 VanDerWaalsContact O-N 3.08Å; D1254-Y1256 PolarHBondContact OD1-N 3.26Å; Y1256-I1271 PolarHBondContact O-N 3.43Å; Y1256-R1272 HydrophobicContact CD1-CG 3.43Å; Y1256-R1272 VanDerWaalsContact CD1-CG 3.43Å; Y1256-R1272 HydrophobicContact CE1-CG 4.07Å; Y1256-R1272 VanDerWaalsContact CG-CD 3.49Å; Y1256-R1272 HydrophobicContact CG-CG 3.85Å; Y1256-R1272 VanDerWaalsContact CG-NE 3.27Å; Y1256-Q1607 HydrophobicContact CE1-CB 4Å; Y1256-Q1607 HydrophobicContact CE1-CG 4.35Å; Y1256-Q1607 PolarHBondContact OH-OE1 3.46Å |
| 1257 | R | 89.3 | Confident | 90 | Very high | 48 Ų | 48 | 25.3 Ų | 25.3 | 18% | 0.181 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.8 | -179 | -57.4 | -176.3 | -61.6 | 177.1 | -3.4 | 111.3 | L1253 D1254 I1268 V1269 D1270 E1317 | L1253-R1257 WeakPolarHBondContact CA-O 3.3Å; L1253-R1257 HydrophobicContact CB-CB 4.38Å; L1253-R1257 WeakPolarHBondContact CB-O 3.35Å; L1253-R1257 HydrophobicContact CD2-CB 4.46Å; L1253-R1257 PolarHBondContact N-O 3.02Å; D1254-R1257 PolarHBondContact N-O 2.81Å; D1254-R1257 VanDerWaalsContact N-O 3.12Å; D1254-R1257 WeakPolarHBondContact OD1-CB 3.47Å; D1254-R1257 PolarHBondContact OD1-N 2.79Å; D1254-R1257 IonicContact OD1-NE 2.72Å; D1254-R1257 IonicContact OD2-CZ 3.96Å; D1254-R1257 IonicContact OD2-NE 3.5Å; D1254-R1257 PolarHBondContact OD2-NE 3.36Å; D1254-R1257 IonicContact OD2-NH2 2.65Å; D1254-R1257 PolarHBondContact OD2-NH2 3.16Å; R1257-I1268 HydrophobicContact CB-CD1 4.05Å; R1257-I1268 HydrophobicContact CB-CG1 4.2Å; R1257-I1268 HydrophobicContact CG-CD1 4.44Å; R1257-V1269 VanDerWaalsContact CA-O 3.27Å; R1257-V1269 WeakPolarHBondContact CA-O 3.31Å; R1257-D1270 HydrophobicContact CG-CB 3.89Å; R1257-D1270 WeakPolarHBondContact CG-OD2 3.22Å; R1257-E1317 IonicContact CZ-OE1 2.69Å; R1257-E1317 IonicContact NH1-OE1 3.12Å; R1257-E1317 IonicContact NH2-OE1 3.71Å; R1257-E1317 PolarHBondContact NH2-OE1 3.37Å |
| 1258 | F | 91.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154.4 | 168.4 | 68.7 | -83.2 | 0 | 0 | 0 | 111.7 | A1250 S1251 A1260 I1268 V1269 I1271 L1525 L1579 L1606 | A1250-F1258 HydrophobicContact CB-CD2 4.41Å; S1251-F1258 WeakPolarHBondContact O-CA 3.35Å; F1258-A1260 HydrophobicContact CD2-CB 4.43Å; F1258-A1260 HydrophobicContact CE2-CB 4.09Å; F1258-I1268 WeakPolarHBondContact O-CA 3.47Å; F1258-V1269 HydrophobicContact CD1-CB 4.05Å; F1258-V1269 HydrophobicContact CD1-CG1 4.35Å; F1258-V1269 HydrophobicContact CE1-CB 3.56Å; F1258-V1269 HydrophobicContact CE1-CG1 3.5Å; F1258-V1269 VanDerWaalsContact CE1-CG1 3.5Å; F1258-V1269 HydrophobicContact CE1-CG2 4.35Å; F1258-V1269 HydrophobicContact CE2-CB 4.09Å; F1258-V1269 HydrophobicContact CE2-CG2 4.06Å; F1258-V1269 HydrophobicContact CZ-CB 3.55Å; F1258-V1269 HydrophobicContact CZ-CG1 3.63Å; F1258-V1269 HydrophobicContact CZ-CG2 3.83Å; F1258-V1269 PolarHBondContact N-O 3.34Å; F1258-V1269 PolarHBondContact O-N 3.34Å; F1258-I1271 HydrophobicContact CD1-CD1 3.91Å; F1258-I1271 HydrophobicContact CD1-CG1 4.11Å; F1258-I1271 HydrophobicContact CE1-CD1 3.92Å; F1258-I1271 HydrophobicContact CE1-CG1 3.87Å; F1258-L1525 HydrophobicContact CB-CD1 4.04Å; F1258-L1525 HydrophobicContact CD2-CD1 3.95Å; F1258-L1525 HydrophobicContact CG-CD1 4.04Å; F1258-L1579 HydrophobicContact CE1-CD2 3.92Å; F1258-L1579 HydrophobicContact CE2-CD2 3.67Å; F1258-L1579 HydrophobicContact CZ-CD2 3.19Å; F1258-L1606 HydrophobicContact CB-CD1 4.3Å; F1258-L1606 HydrophobicContact CB-CD2 4.38Å; F1258-L1606 HydrophobicContact CD1-CD1 4.06Å; F1258-L1606 HydrophobicContact CD1-CD2 4.46Å; F1258-L1606 HydrophobicContact CG-CD1 4.4Å |
| 1259 | L | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.3 | 171.9 | -60.1 | -179.8 | 0 | 0 | 0 | 109.1 | A1250 S1251 L1253 L1266 Y1267 I1268 I1279 V1288 A1290 A1298 F1316 | A1250-L1259 CarbonylContact C-O 3.54Å; A1250-L1259 WeakPolarHBondContact CA-O 3.25Å; A1250-L1259 WeakPolarHBondContact CB-O 3.44Å; S1251-L1259 PolarHBondContact N-O 2.82Å; S1251-L1259 PolarHBondContact O-N 2.8Å; L1253-L1259 HydrophobicContact CB-CG 4.45Å; L1253-L1259 HydrophobicContact CD2-CD2 4.47Å; L1259-L1266 HydrophobicContact CB-CD1 4.23Å; L1259-Y1267 CarbonylContact C-O 3.58Å; L1259-Y1267 WeakPolarHBondContact CA-O 3.25Å; L1259-I1268 HydrophobicContact CD2-CB 4.16Å; L1259-I1268 HydrophobicContact CD2-CG1 4.41Å; L1259-I1279 HydrophobicContact CD2-CD1 4.47Å; L1259-V1288 HydrophobicContact CB-CG1 4.33Å; L1259-V1288 HydrophobicContact CB-CG2 4.19Å; L1259-V1288 HydrophobicContact CD1-CG2 3.86Å; L1259-A1290 HydrophobicContact CD1-CB 4.5Å; L1259-A1298 HydrophobicContact CD1-CB 3.79Å; L1259-F1316 HydrophobicContact CD1-CE2 3.83Å; L1259-F1316 HydrophobicContact CD1-CZ 3.72Å; L1259-F1316 HydrophobicContact CD2-CD1 4.14Å; L1259-F1316 HydrophobicContact CD2-CD2 4.19Å; L1259-F1316 HydrophobicContact CD2-CE1 3.95Å; L1259-F1316 HydrophobicContact CD2-CE2 4.02Å; L1259-F1316 HydrophobicContact CD2-CG 4.25Å; L1259-F1316 HydrophobicContact CD2-CZ 3.88Å; L1259-F1316 HydrophobicContact CG-CZ 4.48Å |
| 1260 | A | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1244 I1247 F1258 Y1267 | L1244-A1260 HydrophobicContact CD1-CB 4.05Å; I1247-A1260 HydrophobicContact CG2-CB 4.32Å; F1258-A1260 HydrophobicContact CD2-CB 4.43Å; F1258-A1260 HydrophobicContact CE2-CB 4.09Å; A1260-Y1267 PolarHBondContact N-O 2.86Å; A1260-Y1267 PolarHBondContact O-N 3.27Å |
| 1261 | G | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1248 C1249 | N1248-G1261 PolarHBondContact N-O 3.14Å; C1249-G1261 PolarHBondContact N-O 2.57Å; C1249-G1261 PolarHBondContact O-N 2.9Å |
| 1262 | T | 92.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 172.9 | 178.3 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | L1244 Q1246 I1247 E1264 G1265 Y1267 P1284 V1285 | L1244-T1262 HydrophobicContact CB-CG2 4.27Å; L1244-T1262 HydrophobicContact CD1-CG2 4.35Å; L1244-T1262 HydrophobicContact CD2-CG2 4.31Å; Q1246-T1262 WeakPolarHBondContact O-CA 3.14Å; Q1246-T1262 WeakPolarHBondContact O-CB 3.36Å; Q1246-T1262 WeakPolarHBondContact O-CG2 3.45Å; I1247-T1262 HydrophobicContact CG1-CG2 4.19Å; T1262-E1264 PolarHBondContact O-N 2.88Å; T1262-E1264 PolarHBondContact OG1-N 2.76Å; T1262-G1265 PolarHBondContact N-O 3.43Å; T1262-G1265 PolarHBondContact O-N 2.64Å; T1262-G1265 PolarHBondContact OG1-N 2.79Å; T1262-G1265 PolarHBondContact OG1-O 3.4Å; T1262-G1265 VanDerWaalsContact OG1-O 3.08Å; T1262-Y1267 HydrophobicContact CG2-CD2 4.19Å; T1262-Y1267 HydrophobicContact CG2-CE2 4.48Å; T1262-Y1267 WeakPolarHBondContact OG1-CE2 3.47Å; T1262-P1284 WeakPolarHBondContact O-CA 3.42Å; T1262-V1285 PolarHBondContact O-N 3.36Å |
| 1263 | D | 89.2 | Confident | 88.4 | Confident | 63 Ų | 63 | 35.2 Ų | 35.2 | 34% | 0.337 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.6 | 173.1 | -62.3 | -51.1 | 0 | 0 | 0 | 112.5 | Q1246 N1248 G1265 P1284 | Q1246-D1263 WeakPolarHBondContact CG-OD2 3.4Å; Q1246-D1263 PolarHBondContact NE2-OD2 3.41Å; N1248-D1263 PolarHBondContact ND2-OD1 2.88Å; D1263-G1265 VanDerWaalsContact C-N 3.34Å; D1263-P1284 HydrophobicContact CB-CB 4.44Å; D1263-P1284 VanDerWaalsContact O-CA 3.28Å; D1263-P1284 WeakPolarHBondContact O-CA 3.36Å |
| 1264 | E | 87.5 | Confident | 87.8 | Confident | 93 Ų | 93 | 38.7 Ų | 38.7 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.5 | 174.8 | -77 | -68.2 | 137.3 | 0 | 0 | 114.1 | T1262 Y1267 R1282 | T1262-E1264 PolarHBondContact O-N 2.88Å; T1262-E1264 PolarHBondContact OG1-N 2.76Å; E1264-Y1267 HydrophobicContact CB-CE2 4.24Å; E1264-R1282 VanDerWaalsContact O-CA 3.26Å; E1264-R1282 WeakPolarHBondContact O-CA 3.27Å; E1264-R1282 WeakPolarHBondContact O-CB 3.19Å; E1264-R1282 WeakPolarHBondContact OE2-CD 3.42Å; E1264-R1282 IonicContact OE2-CZ 3.15Å; E1264-R1282 IonicContact OE2-NE 2.74Å; E1264-R1282 IonicContact OE2-NH1 2.71Å; E1264-R1282 PolarHBondContact OE2-NH1 2.86Å |
| 1265 | G | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | -168.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1262 D1263 K1283 | T1262-G1265 PolarHBondContact N-O 3.43Å; T1262-G1265 PolarHBondContact O-N 2.64Å; T1262-G1265 PolarHBondContact OG1-N 2.79Å; T1262-G1265 PolarHBondContact OG1-O 3.4Å; T1262-G1265 VanDerWaalsContact OG1-O 3.08Å; D1263-G1265 VanDerWaalsContact C-N 3.34Å; G1265-K1283 WeakPolarHBondContact CA-O 3.25Å |
| 1266 | L | 93.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.9 | 171.3 | -176.2 | 62.9 | 0 | 0 | 0 | 109.4 | L1259 R1278 I1279 V1285 V1288 I1311 F1316 | L1259-L1266 HydrophobicContact CB-CD1 4.23Å; L1266-R1278 CarbonylContact O-C 3.59Å; L1266-R1278 WeakPolarHBondContact O-CA 3.46Å; L1266-R1278 WeakPolarHBondContact O-CG 3.27Å; L1266-I1279 HydrophobicContact CG-CD1 4.39Å; L1266-I1279 PolarHBondContact O-N 3.04Å; L1266-V1285 HydrophobicContact CB-CG2 4.03Å; L1266-V1288 HydrophobicContact CD1-CB 4.33Å; L1266-V1288 HydrophobicContact CD1-CG1 4.44Å; L1266-V1288 HydrophobicContact CD1-CG2 3.92Å; L1266-I1311 HydrophobicContact CD2-CD1 3.48Å; L1266-I1311 VanDerWaalsContact CD2-CD1 3.48Å; L1266-F1316 HydrophobicContact CD2-CE1 3.94Å; L1266-F1316 HydrophobicContact CD2-CZ 4.38Å |
| 1267 | Y | 91.4 | Very high | 87.3 | Confident | 27 Ų | 27 | 39 Ų | 39 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.7 | 174 | -69 | -102.7 | 0 | 0 | 0 | 110.1 | L1244 L1259 A1260 T1262 E1264 T1277 R1278 | L1244-Y1267 HydrophobicContact CD1-CG 4.48Å; L1244-Y1267 HydrophobicContact CD2-CD1 3.77Å; L1244-Y1267 HydrophobicContact CD2-CD2 3.89Å; L1244-Y1267 HydrophobicContact CD2-CE1 3.82Å; L1244-Y1267 HydrophobicContact CD2-CE2 3.97Å; L1244-Y1267 HydrophobicContact CD2-CG 3.81Å; L1259-Y1267 CarbonylContact C-O 3.58Å; L1259-Y1267 WeakPolarHBondContact CA-O 3.25Å; A1260-Y1267 PolarHBondContact N-O 2.86Å; A1260-Y1267 PolarHBondContact O-N 3.27Å; T1262-Y1267 HydrophobicContact CG2-CD2 4.19Å; T1262-Y1267 HydrophobicContact CG2-CE2 4.48Å; T1262-Y1267 WeakPolarHBondContact OG1-CE2 3.47Å; E1264-Y1267 HydrophobicContact CB-CE2 4.24Å; Y1267-T1277 CarbonylContact C-O 3.53Å; Y1267-T1277 VanDerWaalsContact CA-O 3.31Å; Y1267-T1277 WeakPolarHBondContact CA-O 3.41Å; Y1267-R1278 HydrophobicContact CD1-CB 3.89Å; Y1267-R1278 HydrophobicContact CD1-CG 4.45Å; Y1267-R1278 HydrophobicContact CD2-CG 4.43Å; Y1267-R1278 HydrophobicContact CE1-CB 3.57Å; Y1267-R1278 HydrophobicContact CE1-CG 4.06Å; Y1267-R1278 HydrophobicContact CE2-CB 4.43Å; Y1267-R1278 HydrophobicContact CE2-CG 4.01Å; Y1267-R1278 HydrophobicContact CG-CB 4.46Å |
| 1268 | I | 91 | Very high | 87.2 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142.6 | 157.6 | -175.6 | 162.9 | 0 | 0 | 0 | 108.5 | L1253 R1257 F1258 L1259 N1276 T1277 I1279 F1316 | L1253-I1268 HydrophobicContact CD2-CD1 3.5Å; L1253-I1268 VanDerWaalsContact CD2-CD1 3.5Å; R1257-I1268 HydrophobicContact CB-CD1 4.05Å; R1257-I1268 HydrophobicContact CB-CG1 4.2Å; R1257-I1268 HydrophobicContact CG-CD1 4.44Å; F1258-I1268 WeakPolarHBondContact O-CA 3.47Å; L1259-I1268 HydrophobicContact CD2-CB 4.16Å; L1259-I1268 HydrophobicContact CD2-CG1 4.41Å; I1268-N1276 CarbonylContact O-C 3.54Å; I1268-N1276 VanDerWaalsContact O-CA 3.31Å; I1268-N1276 WeakPolarHBondContact O-CA 3.48Å; I1268-T1277 PolarHBondContact N-O 2.97Å; I1268-T1277 PolarHBondContact O-N 2.96Å; I1268-I1279 HydrophobicContact CB-CD1 3.73Å; I1268-I1279 HydrophobicContact CG2-CD1 3.71Å; I1268-I1279 HydrophobicContact CG2-CG1 4.4Å; I1268-F1316 HydrophobicContact CD1-CB 3.89Å |
| 1269 | V | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 117.7 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | V1240 L1244 R1257 F1258 I1275 N1276 | V1240-V1269 HydrophobicContact CG2-CG1 3.58Å; V1240-V1269 HydrophobicContact CG2-CG2 4.32Å; L1244-V1269 HydrophobicContact CD1-CG2 4.38Å; R1257-V1269 VanDerWaalsContact CA-O 3.27Å; R1257-V1269 WeakPolarHBondContact CA-O 3.31Å; F1258-V1269 HydrophobicContact CD1-CB 4.05Å; F1258-V1269 HydrophobicContact CD1-CG1 4.35Å; F1258-V1269 HydrophobicContact CE1-CB 3.56Å; F1258-V1269 HydrophobicContact CE1-CG1 3.5Å; F1258-V1269 VanDerWaalsContact CE1-CG1 3.5Å; F1258-V1269 HydrophobicContact CE1-CG2 4.35Å; F1258-V1269 HydrophobicContact CE2-CB 4.09Å; F1258-V1269 HydrophobicContact CE2-CG2 4.06Å; F1258-V1269 HydrophobicContact CZ-CB 3.55Å; F1258-V1269 HydrophobicContact CZ-CG1 3.63Å; F1258-V1269 HydrophobicContact CZ-CG2 3.83Å; F1258-V1269 PolarHBondContact N-O 3.34Å; F1258-V1269 PolarHBondContact O-N 3.34Å; V1269-I1275 WeakPolarHBondContact CA-O 3.39Å; V1269-N1276 HydrophobicContact CG2-CB 4.16Å |
| 1270 | D | 86.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.8 | 169 | -172.7 | -55.5 | 0 | 0 | 0 | 109.6 | R1257 R1272 Q1273 N1274 I1275 | R1257-D1270 HydrophobicContact CG-CB 3.89Å; R1257-D1270 WeakPolarHBondContact CG-OD2 3.22Å; D1270-R1272 WeakPolarHBondContact OD1-CA 3.15Å; D1270-R1272 WeakPolarHBondContact OD1-CB 3.22Å; D1270-R1272 PolarHBondContact OD1-N 3.07Å; D1270-R1272 IonicContact OD2-NH2 2.72Å; D1270-Q1273 HydrophobicContact CB-CB 4.19Å; D1270-Q1273 HydrophobicContact CB-CG 4.45Å; D1270-Q1273 PolarHBondContact OD1-N 3.28Å; D1270-N1274 WeakPolarHBondContact O-CA 3.32Å; D1270-N1274 PolarHBondContact O-N 3.47Å; D1270-I1275 PolarHBondContact N-O 2.64Å; D1270-I1275 PolarHBondContact O-N 2.77Å |
| 1271 | I | 82.2 | Confident | 85.6 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -28.4 | -174.6 | -58.6 | 172.2 | 0 | 0 | 0 | 111.8 | V1235 V1237 Y1256 F1258 L1606 M1608 | V1235-I1271 HydrophobicContact CG1-CD1 3.77Å; V1235-I1271 HydrophobicContact CG1-CG1 4.17Å; V1235-I1271 HydrophobicContact CG1-CG2 4.45Å; V1237-I1271 HydrophobicContact CG2-CG2 4.16Å; Y1256-I1271 PolarHBondContact O-N 3.43Å; F1258-I1271 HydrophobicContact CD1-CD1 3.91Å; F1258-I1271 HydrophobicContact CD1-CG1 4.11Å; F1258-I1271 HydrophobicContact CE1-CD1 3.92Å; F1258-I1271 HydrophobicContact CE1-CG1 3.87Å; I1271-L1606 HydrophobicContact CD1-CB 4.36Å; I1271-L1606 HydrophobicContact CD1-CD1 3.87Å; I1271-L1606 HydrophobicContact CD1-CD2 3.89Å; I1271-L1606 HydrophobicContact CD1-CG 4.26Å; I1271-M1608 HydrophobicContact CD1-CE 3.86Å; I1271-M1608 HydrophobicContact CD1-SD 4.47Å; I1271-M1608 HydrophobicContact CG2-SD 4.3Å |
| 1272 | R | 79.9 | Confident | 85.2 | Confident | 139 Ų | 139 | 55.2 Ų | 55.2 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -38.5 | 176.1 | -64.7 | 176.5 | -64 | -162.3 | -1.8 | 111.5 | Y1256 D1270 | Y1256-R1272 HydrophobicContact CD1-CG 3.43Å; Y1256-R1272 VanDerWaalsContact CD1-CG 3.43Å; Y1256-R1272 HydrophobicContact CE1-CG 4.07Å; Y1256-R1272 VanDerWaalsContact CG-CD 3.49Å; Y1256-R1272 HydrophobicContact CG-CG 3.85Å; Y1256-R1272 VanDerWaalsContact CG-NE 3.27Å; D1270-R1272 WeakPolarHBondContact OD1-CA 3.15Å; D1270-R1272 WeakPolarHBondContact OD1-CB 3.22Å; D1270-R1272 PolarHBondContact OD1-N 3.07Å; D1270-R1272 IonicContact OD2-NH2 2.72Å |
| 1273 | Q | 78.9 | Confident | 85 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -18.3 | -177 | -60 | -173.1 | 7.3 | 0 | 0 | 112.6 | D1270 I1275 | D1270-Q1273 HydrophobicContact CB-CB 4.19Å; D1270-Q1273 HydrophobicContact CB-CG 4.45Å; D1270-Q1273 PolarHBondContact OD1-N 3.28Å; Q1273-I1275 VanDerWaalsContact C-N 3.29Å; Q1273-I1275 HydrophobicContact CB-CB 4.28Å; Q1273-I1275 HydrophobicContact CB-CD1 3.99Å; Q1273-I1275 HydrophobicContact CB-CG1 3.94Å |
| 1274 | N | 76 | Confident | 85.2 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.5 | -169.7 | -174.4 | 9.1 | 0 | 0 | 0 | 111.1 | V1237 S1239 D1270 | V1237-N1274 WeakPolarHBondContact CG1-OD1 2.99Å; S1239-N1274 WeakPolarHBondContact CB-OD1 3.41Å; S1239-N1274 VanDerWaalsContact OG-CG 3.31Å; S1239-N1274 PolarHBondContact OG-ND2 3.35Å; S1239-N1274 PolarHBondContact OG-OD1 2.88Å; D1270-N1274 WeakPolarHBondContact O-CA 3.32Å; D1270-N1274 PolarHBondContact O-N 3.47Å |
| 1275 | I | 78.1 | Confident | 85.5 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 41% | 0.41 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.1 | 179.7 | -65.2 | 179.8 | 0 | 0 | 0 | 109.1 | V1269 D1270 Q1273 | V1269-I1275 WeakPolarHBondContact CA-O 3.39Å; D1270-I1275 PolarHBondContact N-O 2.64Å; D1270-I1275 PolarHBondContact O-N 2.77Å; Q1273-I1275 VanDerWaalsContact C-N 3.29Å; Q1273-I1275 HydrophobicContact CB-CB 4.28Å; Q1273-I1275 HydrophobicContact CB-CD1 3.99Å; Q1273-I1275 HydrophobicContact CB-CG1 3.94Å |
| 1276 | N | 82.9 | Confident | 85.6 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138 | 168.2 | 53 | 0.9 | 0 | 0 | 0 | 110.2 | I1268 V1269 | I1268-N1276 CarbonylContact O-C 3.54Å; I1268-N1276 VanDerWaalsContact O-CA 3.31Å; I1268-N1276 WeakPolarHBondContact O-CA 3.48Å; V1269-N1276 HydrophobicContact CG2-CB 4.16Å |
| 1277 | T | 84.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 124.3 | -176.6 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | Y1267 I1268 | Y1267-T1277 CarbonylContact C-O 3.53Å; Y1267-T1277 VanDerWaalsContact CA-O 3.31Å; Y1267-T1277 WeakPolarHBondContact CA-O 3.41Å; I1268-T1277 PolarHBondContact N-O 2.97Å; I1268-T1277 PolarHBondContact O-N 2.96Å |
| 1278 | R | 87.8 | Confident | 85.8 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.6 | 177.5 | -167.4 | -178.6 | 60.5 | -116.8 | -8.6 | 110.3 | L1266 Y1267 | L1266-R1278 CarbonylContact O-C 3.59Å; L1266-R1278 WeakPolarHBondContact O-CA 3.46Å; L1266-R1278 WeakPolarHBondContact O-CG 3.27Å; Y1267-R1278 HydrophobicContact CD1-CB 3.89Å; Y1267-R1278 HydrophobicContact CD1-CG 4.45Å; Y1267-R1278 HydrophobicContact CD2-CG 4.43Å; Y1267-R1278 HydrophobicContact CE1-CB 3.57Å; Y1267-R1278 HydrophobicContact CE1-CG 4.06Å; Y1267-R1278 HydrophobicContact CE2-CB 4.43Å; Y1267-R1278 HydrophobicContact CE2-CG 4.01Å; Y1267-R1278 HydrophobicContact CG-CB 4.46Å |
| 1279 | I | 82.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.6 | 177.7 | -62.1 | 127.2 | 0 | 0 | 0 | 109.5 | L1259 L1266 I1268 F1316 | L1259-I1279 HydrophobicContact CD2-CD1 4.47Å; L1266-I1279 HydrophobicContact CG-CD1 4.39Å; L1266-I1279 PolarHBondContact O-N 3.04Å; I1268-I1279 HydrophobicContact CB-CD1 3.73Å; I1268-I1279 HydrophobicContact CG2-CD1 3.71Å; I1268-I1279 HydrophobicContact CG2-CG1 4.4Å; I1279-F1316 HydrophobicContact CB-CD1 4.47Å; I1279-F1316 HydrophobicContact CD1-CD1 3.41Å; I1279-F1316 VanDerWaalsContact CD1-CD1 3.41Å; I1279-F1316 HydrophobicContact CD1-CE1 3.83Å; I1279-F1316 HydrophobicContact CD1-CG 4.41Å; I1279-F1316 HydrophobicContact CG1-CD1 3.84Å; I1279-F1316 HydrophobicContact CG1-CE1 4.37Å; I1279-F1316 HydrophobicContact CG2-CD1 4.13Å; I1279-F1316 HydrophobicContact CG2-CE1 4.14Å |
| 1280 | G | 81.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 75.2 | -156.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1281 | A | 77.2 | Confident | 85.8 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.6 | 147.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1283 Q1302 | A1281-K1283 PolarHBondContact O-N 2.83Å; A1281-Q1302 PolarHBondContact O-NE2 2.58Å |
| 1282 | R | 85.5 | Confident | 85.4 | Confident | 159 Ų | 159 | 57.6 Ų | 57.6 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | trans | -66.2 | 96.2 | 172.4 | -60.1 | -174.3 | -166.5 | -143.8 | 19.5 | 110.7 | E1264 | E1264-R1282 VanDerWaalsContact O-CA 3.26Å; E1264-R1282 WeakPolarHBondContact O-CA 3.27Å; E1264-R1282 WeakPolarHBondContact O-CB 3.19Å; E1264-R1282 WeakPolarHBondContact OE2-CD 3.42Å; E1264-R1282 IonicContact OE2-CZ 3.15Å; E1264-R1282 IonicContact OE2-NE 2.74Å; E1264-R1282 IonicContact OE2-NH1 2.71Å; E1264-R1282 PolarHBondContact OE2-NH1 2.86Å | ||
| 1283 | K | 89.1 | Confident | 84.9 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | trans | -149.1 | 132.6 | 176.9 | -64.8 | -169.6 | 179.7 | -173.2 | 0 | 108.6 | G1265 A1281 Q1302 | G1265-K1283 WeakPolarHBondContact CA-O 3.25Å; A1281-K1283 PolarHBondContact O-N 2.83Å; K1283-Q1302 HydrophobicContact CB-CG 3.88Å; K1283-Q1302 VanDerWaalsContact O-CG 3.32Å; K1283-Q1302 WeakPolarHBondContact O-CG 3.36Å; K1283-Q1302 PolarHBondContact O-NE2 2.66Å | ||
| 1284 | P | 92.4 | Very high | 84.4 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | -58.7 | 139 | -171.2 | 22.2 | -35.3 | 0 | 0 | 0 | 112.3 | T1262 D1263 Y1286 Q1302 G1303 | T1262-P1284 WeakPolarHBondContact O-CA 3.42Å; D1263-P1284 HydrophobicContact CB-CB 4.44Å; D1263-P1284 VanDerWaalsContact O-CA 3.28Å; D1263-P1284 WeakPolarHBondContact O-CA 3.36Å; P1284-Y1286 HydrophobicContact CB-CE2 4.2Å; P1284-Y1286 HydrophobicContact CG-CE2 4.15Å; P1284-Q1302 CarbonylContact O-C 3.58Å; P1284-Q1302 WeakPolarHBondContact O-CA 3.4Å; P1284-Q1302 WeakPolarHBondContact O-CG 3.26Å; P1284-G1303 PolarHBondContact O-N 3.04Å | ||
| 1285 | V | 94.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.7 | 177.5 | -177 | 0 | 0 | 0 | 0 | 109 | N1248 T1262 L1266 V1288 A1300 Q1302 | N1248-V1285 WeakPolarHBondContact CB-O 3Å; N1248-V1285 PolarHBondContact ND2-O 3.2Å; T1262-V1285 PolarHBondContact O-N 3.36Å; L1266-V1285 HydrophobicContact CB-CG2 4.03Å; V1285-V1288 HydrophobicContact CG1-CB 4.23Å; V1285-A1300 HydrophobicContact CG1-CB 4.49Å; V1285-Q1302 HydrophobicContact CG2-CG 3.98Å |
| 1286 | Y | 92.9 | Very high | 84.5 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 29% | 0.286 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -29.4 | -175.2 | -60.4 | -82.7 | 0 | 0 | 0 | 113.2 | P1284 I1301 R1306 | P1284-Y1286 HydrophobicContact CB-CE2 4.2Å; P1284-Y1286 HydrophobicContact CG-CE2 4.15Å; Y1286-I1301 HydrophobicContact CD2-CG2 4.13Å; Y1286-I1301 PolarHBondContact N-O 3.46Å; Y1286-R1306 HydrophobicContact CD2-CG 3.89Å; Y1286-R1306 HydrophobicContact CE2-CG 3.76Å |
| 1287 | Q | 94.2 | Very high | 84.7 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 139.6 | 172.9 | -172.7 | -179.7 | -5.5 | 0 | 0 | 108 | C1249 A1300 I1301 R1334 F1335 | C1249-Q1287 VanDerWaalsContact SG-CA 3.51Å; Q1287-A1300 VanDerWaalsContact O-CA 3.31Å; Q1287-A1300 WeakPolarHBondContact O-CA 3.25Å; Q1287-I1301 HydrophobicContact CB-CD1 4.37Å; Q1287-I1301 PolarHBondContact O-N 3.47Å; Q1287-R1334 VanDerWaalsContact OE1-CG 3.31Å; Q1287-F1335 HydrophobicContact CB-CD1 4.26Å; Q1287-F1335 HydrophobicContact CB-CE1 3.85Å; Q1287-F1335 VanDerWaalsContact CD-CD1 3.46Å; Q1287-F1335 VanDerWaalsContact CD-CE1 3.47Å; Q1287-F1335 HydrophobicContact CG-CD1 4.02Å; Q1287-F1335 HydrophobicContact CG-CE1 3.53Å; Q1287-F1335 HydrophobicContact CG-CZ 4.07Å; Q1287-F1335 PolarHBondContact NE2-O 2.85Å; Q1287-F1335 PolarHBondContact OE1-O 3.22Å |
| 1288 | V | 94.1 | Very high | 85 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.5 | 170.6 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | L1259 L1266 V1285 V1299 A1300 | L1259-V1288 HydrophobicContact CB-CG1 4.33Å; L1259-V1288 HydrophobicContact CB-CG2 4.19Å; L1259-V1288 HydrophobicContact CD1-CG2 3.86Å; L1266-V1288 HydrophobicContact CD1-CB 4.33Å; L1266-V1288 HydrophobicContact CD1-CG1 4.44Å; L1266-V1288 HydrophobicContact CD1-CG2 3.92Å; V1285-V1288 HydrophobicContact CG1-CB 4.23Å; V1288-V1299 CarbonylContact C-O 3.59Å; V1288-V1299 VanDerWaalsContact CA-O 3.3Å; V1288-V1299 WeakPolarHBondContact CA-O 3.21Å; V1288-A1300 HydrophobicContact CG2-CB 4.34Å |
| 1289 | E | 91.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 128.4 | -179.2 | -163.3 | 162.9 | -111.6 | 0 | 0 | 110.4 | A1298 V1299 F1335 C1337 L1601 | E1289-A1298 CarbonylContact O-C 3.52Å; E1289-A1298 WeakPolarHBondContact O-CA 3.29Å; E1289-V1299 PolarHBondContact N-O 2.7Å; E1289-V1299 PolarHBondContact O-N 3.19Å; E1289-F1335 HydrophobicContact CB-CE2 3.59Å; E1289-F1335 HydrophobicContact CB-CZ 3.51Å; E1289-F1335 HydrophobicContact CG-CE2 4.4Å; E1289-F1335 WeakPolarHBondContact OE2-CE2 3.48Å; E1289-C1337 PolarHBondContact OE2-SG 2.69Å; E1289-L1601 VanDerWaalsContact CD-CD2 3.5Å; E1289-L1601 HydrophobicContact CG-CD2 3.5Å; E1289-L1601 VanDerWaalsContact CG-CD2 3.5Å; E1289-L1601 WeakPolarHBondContact OE1-CD1 3.27Å |
| 1290 | A | 89.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1251 L1253 L1259 A1298 R1604 | S1251-A1290 PolarHBondContact OG-N 2.71Å; L1253-A1290 HydrophobicContact CD1-CB 4.15Å; L1259-A1290 HydrophobicContact CD1-CB 4.5Å; A1290-A1298 HydrophobicContact CB-CB 4.38Å; A1290-R1604 VanDerWaalsContact CB-NH1 3.32Å; A1290-R1604 PolarHBondContact O-NH1 3.45Å |
| 1291 | L | 86.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -72.9 | 166.4 | -179.5 | -53 | -178.7 | 0 | 0 | 0 | 111.3 | L1295 L1297 V1299 C1337 R1604 | L1291-L1295 HydrophobicContact CB-CB 4.49Å; L1291-L1295 HydrophobicContact CB-CD1 3.89Å; L1291-L1295 HydrophobicContact CD1-CD1 4.3Å; L1291-L1297 WeakPolarHBondContact CB-O 3.09Å; L1291-L1297 HydrophobicContact CD1-CB 3.93Å; L1291-L1297 HydrophobicContact CD1-CD1 4.45Å; L1291-L1297 HydrophobicContact CG-CB 4.47Å; L1291-L1297 PolarHBondContact N-O 3Å; L1291-V1299 HydrophobicContact CD1-CG2 3.77Å; L1291-V1299 HydrophobicContact CD2-CG2 3.86Å; L1291-V1299 HydrophobicContact CG-CG2 3.84Å; L1291-C1337 HydrophobicContact CD2-CB 3.96Å; L1291-C1337 WeakPolarHBondContact CD2-SG 3.17Å; L1291-R1604 PolarHBondContact O-NH1 2.85Å; L1291-R1604 PolarHBondContact O-NH2 2.87Å | ||
| 1292 | A | 73.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | trans | -43 | 144.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1294 L1295 M1339 A1600 | A1292-E1294 VanDerWaalsContact C-N 3.25Å; A1292-E1294 PolarHBondContact O-N 2.83Å; A1292-L1295 HydrophobicContact CB-CD1 4.21Å; A1292-L1295 WeakPolarHBondContact O-CB 3.44Å; A1292-L1295 PolarHBondContact O-N 3.23Å; A1292-M1339 HydrophobicContact CB-CE 4.21Å; A1292-A1600 PolarHBondContact N-O 3.42Å | ||
| 1293 | E | 69.4 | Low | 87.3 | Confident | 130 Ų | 130 | 33.9 Ų | 33.9 | 61% | 0.607 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -59.6 | -36.2 | -168.5 | -64.9 | 174.5 | -169 | 0 | 0 | 112.8 | L1295 Q1296 R1604 | E1293-L1295 PolarHBondContact O-N 3.29Å; E1293-Q1296 WeakPolarHBondContact O-CG 3.48Å; E1293-Q1296 PolarHBondContact O-N 3.4Å; E1293-R1604 IonicContact OE1-NE 2.69Å; E1293-R1604 PolarHBondContact OE1-NE 2.9Å |
| 1294 | E | 68.8 | Low | 87.2 | Confident | 158 Ų | 158 | 37.8 Ų | 37.8 | 74% | 0.738 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -56.4 | -32.9 | 175.2 | -65 | 144.7 | -157.4 | 0 | 0 | 113.1 | A1292 | A1292-E1294 VanDerWaalsContact C-N 3.25Å; A1292-E1294 PolarHBondContact O-N 2.83Å |
| 1295 | L | 73.3 | Confident | 87 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -81.1 | -25.2 | -178.3 | -62.2 | 167.3 | 0 | 0 | 0 | 112.5 | L1291 A1292 E1293 L1297 M1339 C1346 | L1291-L1295 HydrophobicContact CB-CB 4.49Å; L1291-L1295 HydrophobicContact CB-CD1 3.89Å; L1291-L1295 HydrophobicContact CD1-CD1 4.3Å; A1292-L1295 HydrophobicContact CB-CD1 4.21Å; A1292-L1295 WeakPolarHBondContact O-CB 3.44Å; A1292-L1295 PolarHBondContact O-N 3.23Å; E1293-L1295 PolarHBondContact O-N 3.29Å; L1295-L1297 VanDerWaalsContact C-N 3.26Å; L1295-L1297 PolarHBondContact O-N 3.33Å; L1295-M1339 HydrophobicContact CD1-CE 4.28Å; L1295-C1346 HydrophobicContact CD1-CB 3.7Å; L1295-C1346 HydrophobicContact CD2-CB 4.3Å |
| 1296 | Q | 81.7 | Confident | 86.9 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | trans | 47.7 | 45.3 | -174.2 | -62.9 | -166.2 | -37 | 0 | 0 | 113.3 | E1293 V1313 | E1293-Q1296 WeakPolarHBondContact O-CG 3.48Å; E1293-Q1296 PolarHBondContact O-N 3.4Å; Q1296-V1313 VanDerWaalsContact C-CG2 3.45Å; Q1296-V1313 HydrophobicContact CB-CB 4.24Å; Q1296-V1313 HydrophobicContact CB-CG2 4.46Å; Q1296-V1313 PolarHBondContact O-N 3.01Å | ||
| 1297 | L | 87.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.5 | -178.8 | -78.8 | 173.9 | 0 | 0 | 0 | 112.1 | L1291 L1295 L1310 I1311 L1312 I1361 | L1291-L1297 WeakPolarHBondContact CB-O 3.09Å; L1291-L1297 HydrophobicContact CD1-CB 3.93Å; L1291-L1297 HydrophobicContact CD1-CD1 4.45Å; L1291-L1297 HydrophobicContact CG-CB 4.47Å; L1291-L1297 PolarHBondContact N-O 3Å; L1295-L1297 VanDerWaalsContact C-N 3.26Å; L1295-L1297 PolarHBondContact O-N 3.33Å; L1297-L1310 HydrophobicContact CD2-CB 4.19Å; L1297-I1311 CarbonylContact C-O 3.6Å; L1297-I1311 WeakPolarHBondContact CA-O 3.48Å; L1297-L1312 HydrophobicContact CD2-CD2 3.75Å; L1297-L1312 HydrophobicContact CD2-CG 4.17Å; L1297-I1361 HydrophobicContact CD1-CG2 3.97Å |
| 1298 | A | 91 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.9 | 161 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1259 E1289 A1290 L1310 I1311 F1316 | L1259-A1298 HydrophobicContact CD1-CB 3.79Å; E1289-A1298 CarbonylContact O-C 3.52Å; E1289-A1298 WeakPolarHBondContact O-CA 3.29Å; A1290-A1298 HydrophobicContact CB-CB 4.38Å; A1298-L1310 WeakPolarHBondContact O-CA 3.24Å; A1298-I1311 PolarHBondContact N-O 2.97Å; A1298-I1311 PolarHBondContact O-N 2.62Å; A1298-F1316 HydrophobicContact CB-CE2 3.77Å; A1298-F1316 HydrophobicContact CB-CZ 3.81Å |
| 1299 | V | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.4 | -174.9 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | V1288 E1289 L1291 L1308 K1309 L1310 F1335 I1348 | V1288-V1299 CarbonylContact C-O 3.59Å; V1288-V1299 VanDerWaalsContact CA-O 3.3Å; V1288-V1299 WeakPolarHBondContact CA-O 3.21Å; E1289-V1299 PolarHBondContact N-O 2.7Å; E1289-V1299 PolarHBondContact O-N 3.19Å; L1291-V1299 HydrophobicContact CD1-CG2 3.77Å; L1291-V1299 HydrophobicContact CD2-CG2 3.86Å; L1291-V1299 HydrophobicContact CG-CG2 3.84Å; V1299-L1308 HydrophobicContact CG1-CD1 3.79Å; V1299-L1308 HydrophobicContact CG1-CD2 4.32Å; V1299-L1308 HydrophobicContact CG1-CG 4.07Å; V1299-K1309 WeakPolarHBondContact CA-O 3.38Å; V1299-L1310 HydrophobicContact CG2-CD2 4.18Å; V1299-F1335 HydrophobicContact CB-CE1 4.4Å; V1299-F1335 HydrophobicContact CB-CE2 3.68Å; V1299-F1335 HydrophobicContact CB-CZ 3.61Å; V1299-F1335 HydrophobicContact CG1-CD1 4.28Å; V1299-F1335 HydrophobicContact CG1-CD2 3.97Å; V1299-F1335 HydrophobicContact CG1-CE1 3.88Å; V1299-F1335 HydrophobicContact CG1-CE2 3.57Å; V1299-F1335 HydrophobicContact CG1-CG 4.32Å; V1299-F1335 HydrophobicContact CG1-CZ 3.51Å; V1299-F1335 HydrophobicContact CG2-CE2 4.47Å; V1299-I1348 HydrophobicContact CB-CD1 4.37Å; V1299-I1348 HydrophobicContact CG1-CD1 3.97Å; V1299-I1348 HydrophobicContact CG2-CD1 3.46Å; V1299-I1348 VanDerWaalsContact CG2-CD1 3.46Å |
| 1300 | A | 94.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1285 Q1287 V1288 K1309 I1311 | V1285-A1300 HydrophobicContact CG1-CB 4.49Å; Q1287-A1300 VanDerWaalsContact O-CA 3.31Å; Q1287-A1300 WeakPolarHBondContact O-CA 3.25Å; V1288-A1300 HydrophobicContact CG2-CB 4.34Å; A1300-K1309 PolarHBondContact N-O 3.07Å; A1300-K1309 PolarHBondContact O-N 3.26Å; A1300-I1311 HydrophobicContact CB-CD1 4.31Å |
| 1301 | I | 94.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.2 | 163.5 | -65.2 | 172.8 | 0 | 0 | 0 | 107.7 | Y1286 Q1287 R1306 F1307 L1308 C1332 F1335 | Y1286-I1301 HydrophobicContact CD2-CG2 4.13Å; Y1286-I1301 PolarHBondContact N-O 3.46Å; Q1287-I1301 HydrophobicContact CB-CD1 4.37Å; Q1287-I1301 PolarHBondContact O-N 3.47Å; I1301-R1306 HydrophobicContact CG2-CB 3.63Å; I1301-R1306 HydrophobicContact CG2-CG 4.19Å; I1301-F1307 WeakPolarHBondContact CA-O 3.49Å; I1301-L1308 HydrophobicContact CG1-CD1 4.05Å; I1301-C1332 HydrophobicContact CD1-CB 3.64Å; I1301-C1332 HydrophobicContact CG1-CB 3.88Å; I1301-C1332 HydrophobicContact CG2-CB 4.06Å; I1301-F1335 HydrophobicContact CD1-CD1 3.77Å; I1301-F1335 HydrophobicContact CG1-CD1 3.8Å; I1301-F1335 HydrophobicContact CG1-CE1 4.24Å |
| 1302 | Q | 92.1 | Very high | 86.6 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.8 | -172.9 | -161.8 | -174.8 | 31.7 | 0 | 0 | 115.1 | A1281 K1283 P1284 V1285 F1307 K1309 | A1281-Q1302 PolarHBondContact O-NE2 2.58Å; K1283-Q1302 HydrophobicContact CB-CG 3.88Å; K1283-Q1302 VanDerWaalsContact O-CG 3.32Å; K1283-Q1302 WeakPolarHBondContact O-CG 3.36Å; K1283-Q1302 PolarHBondContact O-NE2 2.66Å; P1284-Q1302 CarbonylContact O-C 3.58Å; P1284-Q1302 WeakPolarHBondContact O-CA 3.4Å; P1284-Q1302 WeakPolarHBondContact O-CG 3.26Å; V1285-Q1302 HydrophobicContact CG2-CG 3.98Å; Q1302-F1307 PolarHBondContact N-O 2.88Å; Q1302-F1307 PolarHBondContact O-N 3.05Å; Q1302-K1309 HydrophobicContact CB-CD 4.46Å |
| 1303 | G | 90.6 | Very high | 87.1 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 167.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1284 Q1305 R1306 | P1284-G1303 PolarHBondContact O-N 3.04Å; G1303-Q1305 PolarHBondContact O-N 2.77Å; G1303-Q1305 VanDerWaalsContact O-N 3.09Å; G1303-R1306 WeakPolarHBondContact O-CA 3.33Å; G1303-R1306 PolarHBondContact O-N 3.19Å |
| 1304 | K | 86.5 | Confident | 87.6 | Confident | 194 Ų | 194 | 40 Ų | 40 | 84% | 0.843 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -40.5 | -174.5 | -65 | -171.3 | 176.8 | -173.9 | 0 | 113.8 | R1306 | K1304-R1306 VanDerWaalsContact C-N 3.29Å; K1304-R1306 PolarHBondContact O-N 3.38Å |
| 1305 | Q | 87.6 | Confident | 88.3 | Confident | 108 Ų | 108 | 33.3 Ų | 33.3 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.3 | 178.9 | -70.8 | -67.7 | -17.8 | 0 | 0 | 114.8 | G1303 F1307 L1331 | G1303-Q1305 PolarHBondContact O-N 2.77Å; G1303-Q1305 VanDerWaalsContact O-N 3.09Å; Q1305-F1307 HydrophobicContact CB-CD2 3.88Å; Q1305-F1307 HydrophobicContact CB-CE2 3.51Å; Q1305-F1307 HydrophobicContact CB-CZ 4.21Å; Q1305-F1307 HydrophobicContact CG-CE2 4.32Å; Q1305-F1307 PolarHBondContact O-N 3.05Å; Q1305-L1331 PolarHBondContact O-N 2.99Å |
| 1306 | R | 92.5 | Very high | 88.7 | Confident | 87 Ų | 87 | 32.4 Ų | 32.4 | 33% | 0.328 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 61.1 | 178.3 | -58.4 | -167.7 | -176.3 | -162.8 | 2.7 | 113.4 | Y1286 I1301 G1303 K1304 C1332 | Y1286-R1306 HydrophobicContact CD2-CG 3.89Å; Y1286-R1306 HydrophobicContact CE2-CG 3.76Å; I1301-R1306 HydrophobicContact CG2-CB 3.63Å; I1301-R1306 HydrophobicContact CG2-CG 4.19Å; G1303-R1306 WeakPolarHBondContact O-CA 3.33Å; G1303-R1306 PolarHBondContact O-N 3.19Å; K1304-R1306 VanDerWaalsContact C-N 3.29Å; K1304-R1306 PolarHBondContact O-N 3.38Å; R1306-C1332 HydrophobicContact CB-CB 4.48Å; R1306-C1332 WeakPolarHBondContact CB-O 3.35Å; R1306-C1332 WeakPolarHBondContact CD-O 3.49Å; R1306-C1332 VanDerWaalsContact O-CB 3.26Å; R1306-C1332 WeakPolarHBondContact O-CB 3.03Å; R1306-C1332 PolarHBondContact O-N 3.32Å; R1306-C1332 PolarHBondContact O-SG 3.35Å |
| 1307 | F | 90.2 | Very high | 88.4 | Confident | 41 Ų | 41 | 33.8 Ų | 33.8 | 18% | 0.18 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 144.4 | 174.2 | -72.7 | -75.8 | 0 | 0 | 0 | 111.1 | I1301 Q1302 Q1305 K1325 T1327 K1330 | I1301-F1307 WeakPolarHBondContact CA-O 3.49Å; Q1302-F1307 PolarHBondContact N-O 2.88Å; Q1302-F1307 PolarHBondContact O-N 3.05Å; Q1305-F1307 HydrophobicContact CB-CD2 3.88Å; Q1305-F1307 HydrophobicContact CB-CE2 3.51Å; Q1305-F1307 HydrophobicContact CB-CZ 4.21Å; Q1305-F1307 HydrophobicContact CG-CE2 4.32Å; Q1305-F1307 PolarHBondContact O-N 3.05Å; F1307-K1325 VanDerWaalsContact CZ-NZ 3.3Å; F1307-T1327 WeakPolarHBondContact CE1-O 3.4Å; F1307-K1330 HydrophobicContact CE1-CG 3.91Å; F1307-K1330 HydrophobicContact CZ-CG 4.44Å |
| 1308 | L | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.4 | 167.4 | -157.9 | 84.5 | 0 | 0 | 0 | 110.7 | V1299 I1301 I1326 F1335 V1350 | V1299-L1308 HydrophobicContact CG1-CD1 3.79Å; V1299-L1308 HydrophobicContact CG1-CD2 4.32Å; V1299-L1308 HydrophobicContact CG1-CG 4.07Å; I1301-L1308 HydrophobicContact CG1-CD1 4.05Å; L1308-I1326 HydrophobicContact CD2-CD1 3.82Å; L1308-I1326 HydrophobicContact CD2-CG1 4.37Å; L1308-I1326 PolarHBondContact O-N 3.37Å; L1308-F1335 HydrophobicContact CD1-CB 4.32Å; L1308-F1335 HydrophobicContact CD1-CD1 4.02Å; L1308-F1335 HydrophobicContact CD1-CG 4.22Å; L1308-V1350 HydrophobicContact CD1-CG1 4.29Å; L1308-V1350 HydrophobicContact CD1-CG2 3.97Å; L1308-V1350 HydrophobicContact CD2-CG2 3.85Å; L1308-V1350 HydrophobicContact CG-CG2 4.46Å |
| 1309 | K | 91.2 | Very high | 86.8 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 18% | 0.183 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.2 | 171.7 | -68 | -176.8 | 176.3 | -176.5 | 0 | 111.1 | V1299 A1300 Q1302 I1324 | V1299-K1309 WeakPolarHBondContact CA-O 3.38Å; A1300-K1309 PolarHBondContact N-O 3.07Å; A1300-K1309 PolarHBondContact O-N 3.26Å; Q1302-K1309 HydrophobicContact CB-CD 4.46Å; K1309-I1324 WeakPolarHBondContact CA-O 3.28Å |
| 1310 | L | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129 | 164 | -39.5 | 170.9 | 0 | 0 | 0 | 108 | L1297 A1298 V1299 P1323 I1324 I1326 I1348 I1361 | L1297-L1310 HydrophobicContact CD2-CB 4.19Å; A1298-L1310 WeakPolarHBondContact O-CA 3.24Å; V1299-L1310 HydrophobicContact CG2-CD2 4.18Å; L1310-P1323 CarbonylContact O-C 3.52Å; L1310-P1323 WeakPolarHBondContact O-CA 3.41Å; L1310-I1324 HydrophobicContact CB-CB 4.18Å; L1310-I1324 HydrophobicContact CD1-CB 4.32Å; L1310-I1324 HydrophobicContact CD1-CG2 4.25Å; L1310-I1324 HydrophobicContact CG-CB 4.49Å; L1310-I1324 PolarHBondContact N-O 3.36Å; L1310-I1324 PolarHBondContact O-N 3.43Å; L1310-I1326 HydrophobicContact CD1-CD1 4.43Å; L1310-I1326 HydrophobicContact CD2-CD1 4.48Å; L1310-I1326 HydrophobicContact CG-CD1 4.44Å; L1310-I1348 HydrophobicContact CD2-CD1 4.01Å; L1310-I1361 HydrophobicContact CD1-CD1 4.18Å; L1310-I1361 HydrophobicContact CD1-CG2 3.81Å; L1310-I1361 HydrophobicContact CD2-CD1 4.32Å; L1310-I1361 HydrophobicContact CD2-CG2 4.2Å |
| 1311 | I | 90.9 | Very high | 85.1 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | -178.3 | -51.3 | 176 | 0 | 0 | 0 | 107.4 | L1266 L1297 A1298 A1300 F1316 P1323 | L1266-I1311 HydrophobicContact CD2-CD1 3.48Å; L1266-I1311 VanDerWaalsContact CD2-CD1 3.48Å; L1297-I1311 CarbonylContact C-O 3.6Å; L1297-I1311 WeakPolarHBondContact CA-O 3.48Å; A1298-I1311 PolarHBondContact N-O 2.97Å; A1298-I1311 PolarHBondContact O-N 2.62Å; A1300-I1311 HydrophobicContact CB-CD1 4.31Å; I1311-F1316 HydrophobicContact CB-CE1 4.37Å; I1311-F1316 HydrophobicContact CB-CZ 4.03Å; I1311-F1316 HydrophobicContact CG2-CD1 4.43Å; I1311-F1316 HydrophobicContact CG2-CE1 3.58Å; I1311-F1316 HydrophobicContact CG2-CZ 3.66Å; I1311-P1323 HydrophobicContact CG1-CB 4.16Å |
| 1312 | L | 87.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138.9 | 178 | -70.7 | 159.2 | 0 | 0 | 0 | 109.2 | L1297 G1314 S1315 L1321 R1363 | L1297-L1312 HydrophobicContact CD2-CD2 3.75Å; L1297-L1312 HydrophobicContact CD2-CG 4.17Å; L1312-G1314 PolarHBondContact O-N 3.14Å; L1312-G1314 VanDerWaalsContact O-N 3.15Å; L1312-S1315 WeakPolarHBondContact O-CB 3.05Å; L1312-S1315 PolarHBondContact O-N 3.43Å; L1312-S1315 PolarHBondContact O-OG 3.16Å; L1312-L1321 HydrophobicContact CB-CD1 3.9Å; L1312-L1321 HydrophobicContact CD1-CB 4.14Å; L1312-L1321 HydrophobicContact CD1-CD1 4.13Å; L1312-R1363 HydrophobicContact CD2-CG 3.64Å |
| 1313 | V | 83.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 64 Ų | 64 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -60.7 | -29 | -177.4 | 167.6 | 0 | 0 | 0 | 0 | 112.3 | L1253 Q1296 S1315 F1316 E1317 | L1253-V1313 HydrophobicContact CD1-CG2 4.14Å; Q1296-V1313 VanDerWaalsContact C-CG2 3.45Å; Q1296-V1313 HydrophobicContact CB-CB 4.24Å; Q1296-V1313 HydrophobicContact CB-CG2 4.46Å; Q1296-V1313 PolarHBondContact O-N 3.01Å; V1313-S1315 PolarHBondContact O-N 3.4Å; V1313-F1316 HydrophobicContact CB-CD2 4.31Å; V1313-F1316 HydrophobicContact CG1-CD2 4.38Å; V1313-F1316 HydrophobicContact CG2-CD2 4.2Å; V1313-F1316 HydrophobicContact CG2-CE2 4.25Å; V1313-F1316 WeakPolarHBondContact O-CA 3.35Å; V1313-F1316 VanDerWaalsContact O-CB 3.26Å; V1313-F1316 WeakPolarHBondContact O-CB 3.33Å; V1313-F1316 PolarHBondContact O-N 2.85Å; V1313-E1317 PolarHBondContact O-N 2.84Å |
| 1314 | G | 80.6 | Confident | 83.6 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1312 F1316 E1317 G1318 M1319 | L1312-G1314 PolarHBondContact O-N 3.14Å; L1312-G1314 VanDerWaalsContact O-N 3.15Å; G1314-F1316 PolarHBondContact O-N 3Å; G1314-E1317 CarbonylContact O-C 3.54Å; G1314-E1317 PolarHBondContact O-N 3.36Å; G1314-G1318 PolarHBondContact O-N 3.07Å; G1314-M1319 VanDerWaalsContact O-CB 3.25Å; G1314-M1319 WeakPolarHBondContact O-CB 2.94Å; G1314-M1319 WeakPolarHBondContact O-CG 2.83Å; G1314-M1319 PolarHBondContact O-N 3.46Å |
| 1315 | S | 82.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -63.1 | -23.2 | 171.5 | -56.4 | 0 | 0 | 0 | 0 | 113 | L1312 V1313 M1319 L1321 | L1312-S1315 WeakPolarHBondContact O-CB 3.05Å; L1312-S1315 PolarHBondContact O-N 3.43Å; L1312-S1315 PolarHBondContact O-OG 3.16Å; V1313-S1315 PolarHBondContact O-N 3.4Å; S1315-M1319 WeakPolarHBondContact CA-O 3.49Å; S1315-L1321 PolarHBondContact OG-O 2.75Å |
| 1316 | F | 81 | Confident | 83.3 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -87.6 | -11.4 | 174.4 | -49.5 | -38.8 | 0 | 0 | 0 | 112.8 | L1253 L1259 L1266 I1268 I1279 A1298 I1311 V1313 G1314 | L1253-F1316 HydrophobicContact CD1-CD2 3.95Å; L1253-F1316 HydrophobicContact CD1-CE2 4.08Å; L1253-F1316 HydrophobicContact CD2-CB 4.23Å; L1253-F1316 HydrophobicContact CD2-CD2 3.79Å; L1253-F1316 HydrophobicContact CD2-CG 4.33Å; L1259-F1316 HydrophobicContact CD1-CE2 3.83Å; L1259-F1316 HydrophobicContact CD1-CZ 3.72Å; L1259-F1316 HydrophobicContact CD2-CD1 4.14Å; L1259-F1316 HydrophobicContact CD2-CD2 4.19Å; L1259-F1316 HydrophobicContact CD2-CE1 3.95Å; L1259-F1316 HydrophobicContact CD2-CE2 4.02Å; L1259-F1316 HydrophobicContact CD2-CG 4.25Å; L1259-F1316 HydrophobicContact CD2-CZ 3.88Å; L1259-F1316 HydrophobicContact CG-CZ 4.48Å; L1266-F1316 HydrophobicContact CD2-CE1 3.94Å; L1266-F1316 HydrophobicContact CD2-CZ 4.38Å; I1268-F1316 HydrophobicContact CD1-CB 3.89Å; I1279-F1316 HydrophobicContact CB-CD1 4.47Å; I1279-F1316 HydrophobicContact CD1-CD1 3.41Å; I1279-F1316 VanDerWaalsContact CD1-CD1 3.41Å; I1279-F1316 HydrophobicContact CD1-CE1 3.83Å; I1279-F1316 HydrophobicContact CD1-CG 4.41Å; I1279-F1316 HydrophobicContact CG1-CD1 3.84Å; I1279-F1316 HydrophobicContact CG1-CE1 4.37Å; I1279-F1316 HydrophobicContact CG2-CD1 4.13Å; I1279-F1316 HydrophobicContact CG2-CE1 4.14Å; A1298-F1316 HydrophobicContact CB-CE2 3.77Å; A1298-F1316 HydrophobicContact CB-CZ 3.81Å; I1311-F1316 HydrophobicContact CB-CE1 4.37Å; I1311-F1316 HydrophobicContact CB-CZ 4.03Å; I1311-F1316 HydrophobicContact CG2-CD1 4.43Å; I1311-F1316 HydrophobicContact CG2-CE1 3.58Å; I1311-F1316 HydrophobicContact CG2-CZ 3.66Å; V1313-F1316 HydrophobicContact CB-CD2 4.31Å; V1313-F1316 HydrophobicContact CG1-CD2 4.38Å; V1313-F1316 HydrophobicContact CG2-CD2 4.2Å; V1313-F1316 HydrophobicContact CG2-CE2 4.25Å; V1313-F1316 WeakPolarHBondContact O-CA 3.35Å; V1313-F1316 VanDerWaalsContact O-CB 3.26Å; V1313-F1316 WeakPolarHBondContact O-CB 3.33Å; V1313-F1316 PolarHBondContact O-N 2.85Å; G1314-F1316 PolarHBondContact O-N 3Å |
| 1317 | E | 76.5 | Confident | 82.6 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 16.6 | -179.9 | -57.1 | -174.4 | 147 | 0 | 0 | 111.3 | R1257 V1313 G1314 | R1257-E1317 IonicContact CZ-OE1 2.69Å; R1257-E1317 IonicContact NH1-OE1 3.12Å; R1257-E1317 IonicContact NH2-OE1 3.71Å; R1257-E1317 PolarHBondContact NH2-OE1 3.37Å; V1313-E1317 PolarHBondContact O-N 2.84Å; G1314-E1317 CarbonylContact O-C 3.54Å; G1314-E1317 PolarHBondContact O-N 3.36Å |
| 1318 | G | 73.2 | Confident | 82.1 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 75% | 0.753 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -2.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1314 N1320 | G1314-G1318 PolarHBondContact O-N 3.07Å; G1318-N1320 PolarHBondContact O-N 2.99Å |
| 1319 | M | 71.5 | Confident | 81.7 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | trans | -71.2 | 129.7 | 176.7 | -50.7 | -178.9 | 75.6 | 0 | 0 | 110.2 | G1314 S1315 L1321 | G1314-M1319 VanDerWaalsContact O-CB 3.25Å; G1314-M1319 WeakPolarHBondContact O-CB 2.94Å; G1314-M1319 WeakPolarHBondContact O-CG 2.83Å; G1314-M1319 PolarHBondContact O-N 3.46Å; S1315-M1319 WeakPolarHBondContact CA-O 3.49Å; M1319-L1321 HydrophobicContact CB-CD1 4.04Å; M1319-L1321 HydrophobicContact CB-CG 3.83Å; M1319-L1321 PolarHBondContact O-N 2.87Å; M1319-L1321 HydrophobicContact SD-CD1 4.26Å | ||
| 1320 | N | 73.5 | Confident | 81.3 | Confident | 166 Ų | 166 | 61.7 Ų | 61.7 | 89% | 0.888 | 33% | 0.329 | S | S | * | . | trans | -77.5 | 57.4 | -178.4 | -165.1 | 6.8 | 0 | 0 | 0 | 112.9 | G1318 | G1318-N1320 PolarHBondContact O-N 2.99Š| ||
| 1321 | L | 76.2 | Confident | 81.3 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 123.3 | 179.9 | -55.7 | 173.4 | 0 | 0 | 0 | 109.8 | L1312 S1315 M1319 | L1312-L1321 HydrophobicContact CB-CD1 3.9Å; L1312-L1321 HydrophobicContact CD1-CB 4.14Å; L1312-L1321 HydrophobicContact CD1-CD1 4.13Å; S1315-L1321 PolarHBondContact OG-O 2.75Å; M1319-L1321 HydrophobicContact CB-CD1 4.04Å; M1319-L1321 HydrophobicContact CB-CG 3.83Å; M1319-L1321 PolarHBondContact O-N 2.87Å; M1319-L1321 HydrophobicContact SD-CD1 4.26Å |
| 1322 | K | 78.7 | Confident | 81.4 | Confident | 180 Ų | 180 | 66 Ų | 66 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 128.2 | 177.7 | -68 | -179.6 | 179.6 | 176.7 | 0 | 110.1 | ||
| 1323 | P | 83.5 | Confident | 81.5 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 139.6 | 177.5 | 29.8 | -34.7 | 0 | 0 | 0 | 110.9 | L1310 I1311 K1325 | L1310-P1323 CarbonylContact O-C 3.52Å; L1310-P1323 WeakPolarHBondContact O-CA 3.41Å; I1311-P1323 HydrophobicContact CG1-CB 4.16Å; P1323-K1325 PolarHBondContact O-N 3Å |
| 1324 | I | 83.9 | Confident | 82 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 105.7 | 179.4 | -56.1 | 170.1 | 0 | 0 | 0 | 107.8 | K1309 L1310 Q1365 H1368 | K1309-I1324 WeakPolarHBondContact CA-O 3.28Å; L1310-I1324 HydrophobicContact CB-CB 4.18Å; L1310-I1324 HydrophobicContact CD1-CB 4.32Å; L1310-I1324 HydrophobicContact CD1-CG2 4.25Å; L1310-I1324 HydrophobicContact CG-CB 4.49Å; L1310-I1324 PolarHBondContact N-O 3.36Å; L1310-I1324 PolarHBondContact O-N 3.43Å; I1324-Q1365 HydrophobicContact CD1-CB 4.04Å; I1324-Q1365 HydrophobicContact CG1-CB 4.23Å; I1324-Q1365 HydrophobicContact CG1-CG 4.47Å; I1324-Q1365 HydrophobicContact CG2-CG 4.49Å; I1324-H1368 WeakPolarHBondContact CG2-CE1 3.3Å |
| 1325 | K | 84.1 | Confident | 82.6 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.8 | 171.6 | -175.7 | -160.9 | 174.7 | -166.8 | 0 | 108.9 | F1307 P1323 | F1307-K1325 VanDerWaalsContact CZ-NZ 3.3Å; P1323-K1325 PolarHBondContact O-N 3Å |
| 1326 | I | 84.7 | Confident | 83.1 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | trans | -87.6 | 129 | 164.3 | -40.5 | -166.5 | 0 | 0 | 0 | 107.6 | L1308 L1310 E1328 F1359 I1361 | L1308-I1326 HydrophobicContact CD2-CD1 3.82Å; L1308-I1326 HydrophobicContact CD2-CG1 4.37Å; L1308-I1326 PolarHBondContact O-N 3.37Å; L1310-I1326 HydrophobicContact CD1-CD1 4.43Å; L1310-I1326 HydrophobicContact CD2-CD1 4.48Å; L1310-I1326 HydrophobicContact CG-CD1 4.44Å; I1326-E1328 WeakPolarHBondContact CG2-O 3.05Å; I1326-F1359 HydrophobicContact CD1-CD1 4.49Å; I1326-F1359 HydrophobicContact CG2-CE1 4.02Å; I1326-F1359 HydrophobicContact CG2-CZ 4.25Å; I1326-I1361 HydrophobicContact CD1-CD1 4.07Å | ||
| 1327 | T | 77.9 | Confident | 83.5 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | trans | -79 | -26.2 | -174.3 | 37.3 | 0 | 0 | 0 | 0 | 113.5 | F1307 | F1307-T1327 WeakPolarHBondContact CE1-O 3.4Š| ||
| 1328 | E | 79.5 | Confident | 83.9 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | trans | -129.5 | 144.4 | 174.7 | -64.6 | -175.7 | 167.5 | 0 | 0 | 109.9 | I1326 F1359 R1370 | I1326-E1328 WeakPolarHBondContact CG2-O 3.05Å; E1328-F1359 VanDerWaalsContact O-CZ 3.25Å; E1328-F1359 WeakPolarHBondContact O-CZ 3.41Å; E1328-R1370 IonicContact OE2-CZ 3.04Å; E1328-R1370 IonicContact OE2-NH1 3.29Å; E1328-R1370 PolarHBondContact OE2-NH1 3.48Å; E1328-R1370 IonicContact OE2-NH2 3.6Å | ||
| 1329 | P | 84 | Confident | 84.2 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | S | Bend | cis | -70.3 | 159.7 | -5.7 | 27.2 | -33.1 | 0 | 0 | 0 | 113.9 | V1350 F1357 | P1329-V1350 HydrophobicContact CG-CB 4.12Å; P1329-V1350 HydrophobicContact CG-CG1 3.75Å; P1329-F1357 HydrophobicContact CB-CD1 4.41Å; P1329-F1357 HydrophobicContact CB-CD2 3.56Å; P1329-F1357 HydrophobicContact CB-CE1 4.43Å; P1329-F1357 HydrophobicContact CB-CE2 3.59Å; P1329-F1357 HydrophobicContact CB-CG 4Å; P1329-F1357 HydrophobicContact CB-CZ 4.06Å; P1329-F1357 HydrophobicContact CG-CB 4.07Å; P1329-F1357 HydrophobicContact CG-CD2 3.58Å; P1329-F1357 HydrophobicContact CG-CE2 4.16Å; P1329-F1357 HydrophobicContact CG-CG 3.8Å |
| 1330 | K | 84.3 | Confident | 84.1 | Confident | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -88.8 | 163.1 | 163 | -60.6 | 170.5 | -171.9 | 167.4 | 0 | 108.5 | F1307 C1332 S1352 | F1307-K1330 HydrophobicContact CE1-CG 3.91Å; F1307-K1330 HydrophobicContact CZ-CG 4.44Å; K1330-C1332 VanDerWaalsContact C-N 3.32Å; K1330-C1332 PolarHBondContact O-N 3.28Å; K1330-S1352 PolarHBondContact O-OG 2.87Å |
| 1331 | L | 89.1 | Confident | 83.6 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 56.6 | 39.7 | 174 | -54.4 | 178 | 0 | 0 | 0 | 114 | Q1305 T1333 | Q1305-L1331 PolarHBondContact O-N 2.99Å; L1331-T1333 PolarHBondContact O-N 2.93Å |
| 1332 | C | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -58.1 | 126.1 | -179.2 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | I1301 R1306 K1330 V1350 A1351 | I1301-C1332 HydrophobicContact CD1-CB 3.64Å; I1301-C1332 HydrophobicContact CG1-CB 3.88Å; I1301-C1332 HydrophobicContact CG2-CB 4.06Å; R1306-C1332 HydrophobicContact CB-CB 4.48Å; R1306-C1332 WeakPolarHBondContact CB-O 3.35Å; R1306-C1332 WeakPolarHBondContact CD-O 3.49Å; R1306-C1332 VanDerWaalsContact O-CB 3.26Å; R1306-C1332 WeakPolarHBondContact O-CB 3.03Å; R1306-C1332 PolarHBondContact O-N 3.32Å; R1306-C1332 PolarHBondContact O-SG 3.35Å; K1330-C1332 VanDerWaalsContact C-N 3.32Å; K1330-C1332 PolarHBondContact O-N 3.28Å; C1332-V1350 HydrophobicContact CB-CG1 3.86Å; C1332-A1351 CarbonylContact C-O 3.55Å; C1332-A1351 WeakPolarHBondContact CA-O 3.33Å | ||
| 1333 | T | 90.9 | Very high | 82.2 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 37% | 0.368 | 27% | 0.272 | S | S | . | . | trans | -90.4 | -45.3 | -179.5 | 55 | 0 | 0 | 0 | 0 | 112 | L1331 A1351 | L1331-T1333 PolarHBondContact O-N 2.93Å; T1333-A1351 PolarHBondContact N-O 2.73Å; T1333-A1351 WeakPolarHBondContact OG1-CB 3.36Å; T1333-A1351 PolarHBondContact OG1-O 3.18Å | ||
| 1334 | R | 92.4 | Very high | 81.3 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 157.2 | 176.6 | -165.2 | 178.6 | -70.3 | -103.5 | -1 | 109.2 | Q1287 A1351 I1383 T1480 M1521 | Q1287-R1334 VanDerWaalsContact OE1-CG 3.31Å; R1334-A1351 PolarHBondContact O-N 2.6Å; R1334-I1383 HydrophobicContact CB-CD1 4.44Å; R1334-T1480 PolarHBondContact NH1-OG1 2.85Å; R1334-T1480 PolarHBondContact NH2-OG1 2.62Å; R1334-M1521 PolarHBondContact NH1-SD 2.88Å |
| 1335 | F | 94.4 | Very high | 80.8 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 166.5 | 164.2 | 73.2 | -89.9 | 0 | 0 | 0 | 111.5 | Q1287 E1289 V1299 I1301 L1308 I1348 C1349 V1350 | Q1287-F1335 HydrophobicContact CB-CD1 4.26Å; Q1287-F1335 HydrophobicContact CB-CE1 3.85Å; Q1287-F1335 VanDerWaalsContact CD-CD1 3.46Å; Q1287-F1335 VanDerWaalsContact CD-CE1 3.47Å; Q1287-F1335 HydrophobicContact CG-CD1 4.02Å; Q1287-F1335 HydrophobicContact CG-CE1 3.53Å; Q1287-F1335 HydrophobicContact CG-CZ 4.07Å; Q1287-F1335 PolarHBondContact NE2-O 2.85Å; Q1287-F1335 PolarHBondContact OE1-O 3.22Å; E1289-F1335 HydrophobicContact CB-CE2 3.59Å; E1289-F1335 HydrophobicContact CB-CZ 3.51Å; E1289-F1335 HydrophobicContact CG-CE2 4.4Å; E1289-F1335 WeakPolarHBondContact OE2-CE2 3.48Å; V1299-F1335 HydrophobicContact CB-CE1 4.4Å; V1299-F1335 HydrophobicContact CB-CE2 3.68Å; V1299-F1335 HydrophobicContact CB-CZ 3.61Å; V1299-F1335 HydrophobicContact CG1-CD1 4.28Å; V1299-F1335 HydrophobicContact CG1-CD2 3.97Å; V1299-F1335 HydrophobicContact CG1-CE1 3.88Å; V1299-F1335 HydrophobicContact CG1-CE2 3.57Å; V1299-F1335 HydrophobicContact CG1-CG 4.32Å; V1299-F1335 HydrophobicContact CG1-CZ 3.51Å; V1299-F1335 HydrophobicContact CG2-CE2 4.47Å; I1301-F1335 HydrophobicContact CD1-CD1 3.77Å; I1301-F1335 HydrophobicContact CG1-CD1 3.8Å; I1301-F1335 HydrophobicContact CG1-CE1 4.24Å; L1308-F1335 HydrophobicContact CD1-CB 4.32Å; L1308-F1335 HydrophobicContact CD1-CD1 4.02Å; L1308-F1335 HydrophobicContact CD1-CG 4.22Å; F1335-I1348 HydrophobicContact CB-CG2 4.14Å; F1335-I1348 HydrophobicContact CD2-CG2 4.09Å; F1335-I1348 HydrophobicContact CG-CG2 4.45Å; F1335-C1349 CarbonylContact C-O 3.54Å; F1335-C1349 WeakPolarHBondContact CA-O 3.24Å; F1335-C1349 WeakPolarHBondContact CB-O 3.25Å; F1335-V1350 HydrophobicContact CB-CB 4.46Å; F1335-V1350 HydrophobicContact CB-CG1 4.43Å; F1335-V1350 HydrophobicContact CB-CG2 4.09Å |
| 1336 | T | 92 | Very high | 80.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.4 | 166.5 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | I1348 C1349 I1383 F1385 I1392 | T1336-I1348 WeakPolarHBondContact O-CA 3.37Å; T1336-C1349 HydrophobicContact CG2-CB 4.2Å; T1336-C1349 PolarHBondContact N-O 2.75Å; T1336-C1349 PolarHBondContact O-N 3.44Å; T1336-I1383 HydrophobicContact CG2-CB 4.09Å; T1336-I1383 HydrophobicContact CG2-CD1 4.02Å; T1336-I1383 HydrophobicContact CG2-CG1 3.94Å; T1336-F1385 HydrophobicContact CG2-CD2 3.75Å; T1336-F1385 HydrophobicContact CG2-CE2 3.82Å; T1336-I1392 HydrophobicContact CG2-CD1 3.91Å |
| 1337 | C | 89.1 | Confident | 81 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.3 | 180 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | E1289 L1291 L1347 I1348 L1601 | E1289-C1337 PolarHBondContact OE2-SG 2.69Å; L1291-C1337 HydrophobicContact CD2-CB 3.96Å; L1291-C1337 WeakPolarHBondContact CD2-SG 3.17Å; C1337-L1347 WeakPolarHBondContact CA-O 3.5Å; C1337-L1347 WeakPolarHBondContact CB-O 3.24Å; C1337-I1348 HydrophobicContact CB-CG1 4.04Å; C1337-L1601 VanDerWaalsContact SG-CD2 3.55Å |
| 1338 | S | 85.4 | Confident | 81.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 168.1 | 179 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | L1347 F1385 | S1338-L1347 PolarHBondContact N-O 3.1Å; S1338-L1347 PolarHBondContact O-N 2.88Å; S1338-F1385 VanDerWaalsContact CB-CG 3.46Å |
| 1339 | M | 80.1 | Confident | 82.4 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.069 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 162.4 | 165.1 | -140.8 | 66.4 | 81.7 | 0 | 0 | 110.3 | A1292 L1295 N1343 V1345 C1346 A1600 | A1292-M1339 HydrophobicContact CB-CE 4.21Å; L1295-M1339 HydrophobicContact CD1-CE 4.28Å; M1339-N1343 WeakPolarHBondContact CB-OD1 3.43Å; M1339-N1343 HydrophobicContact CG-CB 4.12Å; M1339-V1345 CarbonylContact C-O 3.56Å; M1339-C1346 HydrophobicContact SD-CB 4.04Å; M1339-A1600 HydrophobicContact CE-CB 3.87Å; M1339-A1600 HydrophobicContact SD-CB 4.28Å |
| 1340 | S | 69.7 | Low | 82.9 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | trans | -75.4 | 163.1 | 169.1 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | N1342 N1343 T1344 V1345 | S1340-N1342 PolarHBondContact O-N 3.48Å; S1340-N1343 WeakPolarHBondContact O-CA 3.35Å; S1340-N1343 PolarHBondContact O-N 3.25Å; S1340-T1344 PolarHBondContact OG-N 3.34Å; S1340-T1344 PolarHBondContact OG-OG1 3.34Å; S1340-T1344 VanDerWaalsContact OG-OG1 3.12Å; S1340-V1345 PolarHBondContact N-O 2.87Å; S1340-V1345 PolarHBondContact OG-N 2.94Å | ||
| 1341 | R | 61.8 | Low | 83.4 | Confident | 174 Ų | 174 | 37.7 Ų | 37.7 | 66% | 0.657 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.2 | -38.9 | 178.6 | -69.8 | -174.1 | 167.5 | -169.6 | -9.9 | 116 | D1390 | R1341-D1390 WeakPolarHBondContact CD-OD1 3.42Å; R1341-D1390 WeakPolarHBondContact CG-OD1 3.37Å; R1341-D1390 IonicContact CZ-OD1 3.12Å; R1341-D1390 IonicContact CZ-OD2 3.83Å; R1341-D1390 IonicContact NE-OD1 2.74Å; R1341-D1390 PolarHBondContact NE-OD1 3.46Å; R1341-D1390 IonicContact NE-OD2 3.85Å; R1341-D1390 PolarHBondContact NE-OD2 3.35Å; R1341-D1390 IonicContact NH2-OD1 2.67Å; R1341-D1390 IonicContact NH2-OD2 3.74Å; R1341-D1390 PolarHBondContact NH2-OD2 2.91Å |
| 1342 | N | 62.3 | Low | 83.6 | Confident | 127 Ų | 127 | 34 Ų | 34 | 68% | 0.679 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 6.2 | -173 | -63.3 | 2.8 | 0 | 0 | 0 | 112.5 | S1340 T1344 | S1340-N1342 PolarHBondContact O-N 3.48Å; N1342-T1344 HydrophobicContact CB-CG2 3.79Å; N1342-T1344 PolarHBondContact O-N 3.13Å |
| 1343 | N | 64.8 | Low | 83.4 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 54.3 | 26.5 | -168.3 | -64 | -55 | 0 | 0 | 0 | 114.9 | M1339 S1340 V1598 | M1339-N1343 WeakPolarHBondContact CB-OD1 3.43Å; M1339-N1343 HydrophobicContact CG-CB 4.12Å; S1340-N1343 WeakPolarHBondContact O-CA 3.35Å; S1340-N1343 PolarHBondContact O-N 3.25Å; N1343-V1598 WeakPolarHBondContact OD1-CB 3.35Å; N1343-V1598 WeakPolarHBondContact OD1-CG1 3.49Å |
| 1344 | T | 64.2 | Low | 83.4 | Confident | 103 Ų | 103 | 42 Ų | 42 | 63% | 0.632 | 21% | 0.206 | S | C | * | . | trans | -89.3 | -23.7 | -175.3 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | S1340 N1342 | S1340-T1344 PolarHBondContact OG-N 3.34Å; S1340-T1344 PolarHBondContact OG-OG1 3.34Å; S1340-T1344 VanDerWaalsContact OG-OG1 3.12Å; N1342-T1344 HydrophobicContact CB-CG2 3.79Å; N1342-T1344 PolarHBondContact O-N 3.13Å | ||
| 1345 | V | 72.2 | Confident | 83.5 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | trans | -144.1 | 134 | -168.2 | 174.3 | 0 | 0 | 0 | 0 | 110 | M1339 S1340 L1347 E1360 | M1339-V1345 CarbonylContact C-O 3.56Å; S1340-V1345 PolarHBondContact N-O 2.87Å; S1340-V1345 PolarHBondContact OG-N 2.94Å; V1345-L1347 HydrophobicContact CG1-CD2 4.12Å; V1345-E1360 HydrophobicContact CG1-CB 3.95Å; V1345-E1360 HydrophobicContact CG1-CG 3.61Å; V1345-E1360 WeakPolarHBondContact CG2-OE1 3.31Å | ||
| 1346 | C | 84.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.2 | 169.9 | -169.4 | 0 | 0 | 0 | 0 | 110.3 | L1295 M1339 I1361 | L1295-C1346 HydrophobicContact CD1-CB 3.7Å; L1295-C1346 HydrophobicContact CD2-CB 4.3Å; M1339-C1346 HydrophobicContact SD-CB 4.04Å; C1346-I1361 PolarHBondContact O-N 2.94Å |
| 1347 | L | 89.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136 | 174.6 | -58.9 | -179.7 | 0 | 0 | 0 | 110 | C1337 S1338 V1345 F1359 L1371 F1385 I1405 W1406 | C1337-L1347 WeakPolarHBondContact CA-O 3.5Å; C1337-L1347 WeakPolarHBondContact CB-O 3.24Å; S1338-L1347 PolarHBondContact N-O 3.1Å; S1338-L1347 PolarHBondContact O-N 2.88Å; V1345-L1347 HydrophobicContact CG1-CD2 4.12Å; L1347-F1359 CarbonylContact C-O 3.54Å; L1347-F1359 WeakPolarHBondContact CA-O 3.13Å; L1347-L1371 HydrophobicContact CD2-CD1 3.64Å; L1347-F1385 HydrophobicContact CB-CE1 4.25Å; L1347-F1385 HydrophobicContact CB-CZ 3.98Å; L1347-F1385 HydrophobicContact CD1-CE1 4.4Å; L1347-I1405 HydrophobicContact CD1-CD1 4.3Å; L1347-W1406 HydrophobicContact CD1-CH2 3.94Å; L1347-W1406 HydrophobicContact CD1-CZ2 3.87Å; L1347-W1406 HydrophobicContact CD2-CH2 4.32Å |
| 1348 | I | 92.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.5 | 166.8 | -55.8 | -178.2 | 0 | 0 | 0 | 108.4 | V1299 L1310 F1335 T1336 C1337 V1350 I1358 F1359 I1361 | V1299-I1348 HydrophobicContact CB-CD1 4.37Å; V1299-I1348 HydrophobicContact CG1-CD1 3.97Å; V1299-I1348 HydrophobicContact CG2-CD1 3.46Å; V1299-I1348 VanDerWaalsContact CG2-CD1 3.46Å; L1310-I1348 HydrophobicContact CD2-CD1 4.01Å; F1335-I1348 HydrophobicContact CB-CG2 4.14Å; F1335-I1348 HydrophobicContact CD2-CG2 4.09Å; F1335-I1348 HydrophobicContact CG-CG2 4.45Å; T1336-I1348 WeakPolarHBondContact O-CA 3.37Å; C1337-I1348 HydrophobicContact CB-CG1 4.04Å; I1348-V1350 HydrophobicContact CG2-CG2 3.72Å; I1348-I1358 WeakPolarHBondContact O-CA 3.14Å; I1348-F1359 PolarHBondContact N-O 2.68Å; I1348-F1359 PolarHBondContact O-N 3.06Å; I1348-I1361 HydrophobicContact CB-CG1 4.32Å; I1348-I1361 HydrophobicContact CD1-CD1 4.29Å; I1348-I1361 HydrophobicContact CD1-CG1 3.64Å; I1348-I1361 HydrophobicContact CG1-CG1 3.73Å |
| 1349 | C | 94.1 | Very high | 84 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.3 | 166.9 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F1335 T1336 F1385 I1392 | F1335-C1349 CarbonylContact C-O 3.54Å; F1335-C1349 WeakPolarHBondContact CA-O 3.24Å; F1335-C1349 WeakPolarHBondContact CB-O 3.25Å; T1336-C1349 HydrophobicContact CG2-CB 4.2Å; T1336-C1349 PolarHBondContact N-O 2.75Å; T1336-C1349 PolarHBondContact O-N 3.44Å; C1349-F1385 HydrophobicContact CB-CE2 4.2Å; C1349-F1385 HydrophobicContact CB-CZ 4.15Å; C1349-I1392 HydrophobicContact CB-CD1 3.84Å; C1349-I1392 HydrophobicContact CB-CG1 4.45Å |
| 1350 | V | 95.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.3 | -177.2 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | L1308 P1329 C1332 F1335 I1348 L1356 F1357 F1359 | L1308-V1350 HydrophobicContact CD1-CG1 4.29Å; L1308-V1350 HydrophobicContact CD1-CG2 3.97Å; L1308-V1350 HydrophobicContact CD2-CG2 3.85Å; L1308-V1350 HydrophobicContact CG-CG2 4.46Å; P1329-V1350 HydrophobicContact CG-CB 4.12Å; P1329-V1350 HydrophobicContact CG-CG1 3.75Å; C1332-V1350 HydrophobicContact CB-CG1 3.86Å; F1335-V1350 HydrophobicContact CB-CB 4.46Å; F1335-V1350 HydrophobicContact CB-CG1 4.43Å; F1335-V1350 HydrophobicContact CB-CG2 4.09Å; I1348-V1350 HydrophobicContact CG2-CG2 3.72Å; V1350-L1356 WeakPolarHBondContact O-CA 3.33Å; V1350-F1357 PolarHBondContact N-O 2.96Å; V1350-F1357 PolarHBondContact O-N 3.47Å; V1350-F1359 HydrophobicContact CG2-CD2 4.15Å; V1350-F1359 HydrophobicContact CG2-CE2 4.13Å |
| 1351 | A | 95.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | C1332 T1333 R1334 L1356 V1380 I1383 | C1332-A1351 CarbonylContact C-O 3.55Å; C1332-A1351 WeakPolarHBondContact CA-O 3.33Å; T1333-A1351 PolarHBondContact N-O 2.73Å; T1333-A1351 WeakPolarHBondContact OG1-CB 3.36Å; T1333-A1351 PolarHBondContact OG1-O 3.18Å; R1334-A1351 PolarHBondContact O-N 2.6Å; A1351-L1356 HydrophobicContact CB-CD2 3.63Å; A1351-V1380 HydrophobicContact CB-CB 4.11Å; A1351-V1380 HydrophobicContact CB-CG1 3.77Å; A1351-I1383 HydrophobicContact CB-CD1 4.1Å |
| 1352 | S | 92.3 | Very high | 85.5 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 16% | 0.161 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 100 | 171.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | K1330 R1354 S1355 | K1330-S1352 PolarHBondContact O-OG 2.87Å; S1352-R1354 PolarHBondContact O-N 3.29Å; S1352-S1355 PolarHBondContact N-O 3.13Å; S1352-S1355 PolarHBondContact O-N 3.29Å |
| 1353 | N | 89.1 | Confident | 85.7 | Confident | 89 Ų | 89 | 34.8 Ų | 34.8 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -93.3 | -176.7 | -170 | 0.3 | 0 | 0 | 0 | 113.7 | I1379 V1380 | N1353-I1379 WeakPolarHBondContact O-CA 3.44Å; N1353-V1380 PolarHBondContact O-N 2.91Å |
| 1354 | R | 91.9 | Very high | 85.8 | Confident | 139 Ų | 139 | 34.7 Ų | 34.7 | 53% | 0.525 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 4.4 | 178.6 | -58.2 | -163.8 | -171.4 | -179.3 | 6.4 | 114.4 | S1352 C1376 P1377 I1379 | S1352-R1354 PolarHBondContact O-N 3.29Å; R1354-C1376 WeakPolarHBondContact O-CA 3.4Å; R1354-C1376 WeakPolarHBondContact O-CB 3.33Å; R1354-C1376 PolarHBondContact O-N 3.48Å; R1354-P1377 PolarHBondContact NH1-O 3.37Å; R1354-I1379 HydrophobicContact CG-CG1 4.26Å |
| 1355 | S | 92.7 | Very high | 85.7 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.3 | 174.8 | -79.7 | 0 | 0 | 0 | 0 | 111.7 | S1352 E1373 | S1352-S1355 PolarHBondContact N-O 3.13Å; S1352-S1355 PolarHBondContact O-N 3.29Å; S1355-E1373 WeakPolarHBondContact CB-OE1 3.2Å; S1355-E1373 PolarHBondContact OG-OE1 2.82Å |
| 1356 | L | 94.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.3 | 166.1 | -60.2 | -178.6 | 0 | 0 | 0 | 110.6 | V1350 A1351 E1373 I1374 V1380 I1383 I1392 V1394 | V1350-L1356 WeakPolarHBondContact O-CA 3.33Å; A1351-L1356 HydrophobicContact CB-CD2 3.63Å; L1356-E1373 CarbonylContact O-C 3.56Å; L1356-E1373 VanDerWaalsContact O-CA 3.28Å; L1356-E1373 WeakPolarHBondContact O-CA 3.44Å; L1356-I1374 HydrophobicContact CB-CB 4.26Å; L1356-I1374 PolarHBondContact N-O 3.35Å; L1356-I1374 PolarHBondContact O-N 2.86Å; L1356-V1380 HydrophobicContact CD2-CB 4.47Å; L1356-V1380 HydrophobicContact CD2-CG1 4.03Å; L1356-V1380 HydrophobicContact CD2-CG2 3.93Å; L1356-V1380 HydrophobicContact CG-CG2 4.41Å; L1356-I1383 HydrophobicContact CD1-CG2 4.18Å; L1356-I1383 HydrophobicContact CD2-CG2 3.71Å; L1356-I1392 HydrophobicContact CD1-CG1 4.44Å; L1356-I1392 HydrophobicContact CD1-CG2 4.29Å; L1356-V1394 HydrophobicContact CD1-CB 4.37Å; L1356-V1394 HydrophobicContact CD1-CG1 4.01Å; L1356-V1394 HydrophobicContact CD1-CG2 3.39Å |
| 1357 | F | 94.3 | Very high | 84.8 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.4 | 179.8 | -63.8 | -100.9 | 0 | 0 | 0 | 109 | P1329 V1350 F1359 E1373 | P1329-F1357 HydrophobicContact CB-CD1 4.41Å; P1329-F1357 HydrophobicContact CB-CD2 3.56Å; P1329-F1357 HydrophobicContact CB-CE1 4.43Å; P1329-F1357 HydrophobicContact CB-CE2 3.59Å; P1329-F1357 HydrophobicContact CB-CG 4Å; P1329-F1357 HydrophobicContact CB-CZ 4.06Å; P1329-F1357 HydrophobicContact CG-CB 4.07Å; P1329-F1357 HydrophobicContact CG-CD2 3.58Å; P1329-F1357 HydrophobicContact CG-CE2 4.16Å; P1329-F1357 HydrophobicContact CG-CG 3.8Å; V1350-F1357 PolarHBondContact N-O 2.96Å; V1350-F1357 PolarHBondContact O-N 3.47Å; F1357-F1359 HydrophobicContact CB-CD2 4.37Å; F1357-F1359 HydrophobicContact CB-CE2 3.49Å; F1357-F1359 VanDerWaalsContact CB-CE2 3.49Å; F1357-F1359 HydrophobicContact CB-CZ 3.91Å; F1357-E1373 HydrophobicContact CD1-CB 4.49Å; F1357-E1373 HydrophobicContact CD1-CG 4.11Å; F1357-E1373 HydrophobicContact CE1-CG 3.84Å; F1357-E1373 WeakPolarHBondContact CE1-OE2 3.49Å; F1357-E1373 HydrophobicContact CE2-CG 4.48Å; F1357-E1373 HydrophobicContact CZ-CG 4.03Å; F1357-E1373 WeakPolarHBondContact CZ-OE1 3.39Å |
| 1358 | I | 93.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124 | -178.7 | -53.9 | 180 | 0 | 0 | 0 | 108.9 | I1348 L1371 K1372 I1374 I1405 | I1348-I1358 WeakPolarHBondContact O-CA 3.14Å; I1358-L1371 HydrophobicContact CG2-CB 4.47Å; I1358-L1371 HydrophobicContact CG2-CD1 4.42Å; I1358-L1371 PolarHBondContact O-N 3.02Å; I1358-K1372 HydrophobicContact CB-CB 4.44Å; I1358-K1372 HydrophobicContact CD1-CB 4.47Å; I1358-K1372 PolarHBondContact N-O 2.99Å; I1358-K1372 PolarHBondContact O-N 2.87Å; I1358-I1374 HydrophobicContact CD1-CD1 3.85Å; I1358-I1405 HydrophobicContact CD1-CB 4.45Å; I1358-I1405 HydrophobicContact CD1-CG1 3.99Å; I1358-I1405 HydrophobicContact CD1-CG2 4.16Å; I1358-I1405 HydrophobicContact CG2-CG2 4.16Å |
| 1359 | F | 90.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.4 | -179.6 | -60.6 | -88.2 | 0 | 0 | 0 | 111.7 | I1326 E1328 L1347 I1348 V1350 F1357 I1361 K1369 R1370 | I1326-F1359 HydrophobicContact CD1-CD1 4.49Å; I1326-F1359 HydrophobicContact CG2-CE1 4.02Å; I1326-F1359 HydrophobicContact CG2-CZ 4.25Å; E1328-F1359 VanDerWaalsContact O-CZ 3.25Å; E1328-F1359 WeakPolarHBondContact O-CZ 3.41Å; L1347-F1359 CarbonylContact C-O 3.54Å; L1347-F1359 WeakPolarHBondContact CA-O 3.13Å; I1348-F1359 PolarHBondContact N-O 2.68Å; I1348-F1359 PolarHBondContact O-N 3.06Å; V1350-F1359 HydrophobicContact CG2-CD2 4.15Å; V1350-F1359 HydrophobicContact CG2-CE2 4.13Å; F1357-F1359 HydrophobicContact CB-CD2 4.37Å; F1357-F1359 HydrophobicContact CB-CE2 3.49Å; F1357-F1359 VanDerWaalsContact CB-CE2 3.49Å; F1357-F1359 HydrophobicContact CB-CZ 3.91Å; F1359-I1361 HydrophobicContact CB-CD1 3.59Å; F1359-I1361 HydrophobicContact CB-CG1 4.14Å; F1359-I1361 HydrophobicContact CG-CD1 4.46Å; F1359-K1369 CarbonylContact C-O 3.6Å; F1359-K1369 VanDerWaalsContact CA-O 3.31Å; F1359-K1369 WeakPolarHBondContact CA-O 3.45Å; F1359-R1370 HydrophobicContact CD1-CB 4.02Å; F1359-R1370 HydrophobicContact CE1-CB 3.82Å; F1359-R1370 HydrophobicContact CE1-CG 4.22Å |
| 1360 | E | 88 | Confident | 83.6 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.6 | 156.5 | 151.3 | 166.7 | -134.6 | 0 | 0 | 107.9 | V1345 H1368 K1369 L1371 | V1345-E1360 HydrophobicContact CG1-CB 3.95Å; V1345-E1360 HydrophobicContact CG1-CG 3.61Å; V1345-E1360 WeakPolarHBondContact CG2-OE1 3.31Å; E1360-H1368 CarbonylContact O-C 3.57Å; E1360-H1368 VanDerWaalsContact O-CA 3.26Å; E1360-H1368 WeakPolarHBondContact O-CA 3.39Å; E1360-K1369 HydrophobicContact CB-CB 4.44Å; E1360-K1369 PolarHBondContact N-O 2.96Å; E1360-K1369 PolarHBondContact O-N 3.05Å; E1360-L1371 HydrophobicContact CB-CD1 3.95Å; E1360-L1371 HydrophobicContact CB-CD2 3.85Å; E1360-L1371 HydrophobicContact CB-CG 3.82Å |
| 1361 | I | 83.8 | Confident | 83.2 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.7 | -173.7 | -59.5 | -60.6 | 0 | 0 | 0 | 111.1 | L1297 L1310 I1326 C1346 I1348 F1359 H1368 | L1297-I1361 HydrophobicContact CD1-CG2 3.97Å; L1310-I1361 HydrophobicContact CD1-CD1 4.18Å; L1310-I1361 HydrophobicContact CD1-CG2 3.81Å; L1310-I1361 HydrophobicContact CD2-CD1 4.32Å; L1310-I1361 HydrophobicContact CD2-CG2 4.2Å; I1326-I1361 HydrophobicContact CD1-CD1 4.07Å; C1346-I1361 PolarHBondContact O-N 2.94Å; I1348-I1361 HydrophobicContact CB-CG1 4.32Å; I1348-I1361 HydrophobicContact CD1-CD1 4.29Å; I1348-I1361 HydrophobicContact CD1-CG1 3.64Å; I1348-I1361 HydrophobicContact CG1-CG1 3.73Å; F1359-I1361 HydrophobicContact CB-CD1 3.59Å; F1359-I1361 HydrophobicContact CB-CG1 4.14Å; F1359-I1361 HydrophobicContact CG-CD1 4.46Å; I1361-H1368 HydrophobicContact CD1-CB 3.93Å |
| 1362 | A | 70.3 | Confident | 82.9 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | trans | -122.9 | 153.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1364 R1367 | A1362-V1364 PolarHBondContact O-N 2.66Å; A1362-R1367 HydrophobicContact CB-CB 3.68Å | ||
| 1363 | R | 67.1 | Low | 82.9 | Confident | 120 Ų | 120 | 68 Ų | 68 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -60.8 | -22.9 | 178.2 | -173.4 | 179 | 175.1 | 158.6 | 6.9 | 114.3 | L1312 | L1312-R1363 HydrophobicContact CD2-CG 3.64Š|
| 1364 | V | 67.1 | Low | 83 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -91.6 | 127.9 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | A1362 G1366 R1367 | A1362-V1364 PolarHBondContact O-N 2.66Å; V1364-G1366 PolarHBondContact O-N 2.99Å; V1364-R1367 HydrophobicContact CB-CB 4.29Å; V1364-R1367 HydrophobicContact CB-CG 4.12Å; V1364-R1367 HydrophobicContact CG1-CG 4.36Å; V1364-R1367 PolarHBondContact O-N 2.9Å |
| 1365 | Q | 61.4 | Low | 83 | Confident | 146 Ų | 146 | 62.2 Ų | 62.2 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.2 | 173.2 | -174.7 | 172.4 | -17 | 0 | 0 | 110.3 | I1324 R1367 | I1324-Q1365 HydrophobicContact CD1-CB 4.04Å; I1324-Q1365 HydrophobicContact CG1-CB 4.23Å; I1324-Q1365 HydrophobicContact CG1-CG 4.47Å; I1324-Q1365 HydrophobicContact CG2-CG 4.49Å; Q1365-R1367 VanDerWaalsContact C-N 3.34Å |
| 1366 | G | 67.5 | Low | 82.9 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -8.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1364 | V1364-G1366 PolarHBondContact O-N 2.99Š|
| 1367 | R | 70.5 | Confident | 82.4 | Confident | 181 Ų | 181 | 64.4 Ų | 64.4 | 68% | 0.683 | 33% | 0.327 | S | S | * | . | trans | -95.8 | -4.3 | 170.6 | -70.8 | -164.8 | -176.3 | -178.8 | 1.4 | 114.6 | A1362 V1364 Q1365 | A1362-R1367 HydrophobicContact CB-CB 3.68Å; V1364-R1367 HydrophobicContact CB-CB 4.29Å; V1364-R1367 HydrophobicContact CB-CG 4.12Å; V1364-R1367 HydrophobicContact CG1-CG 4.36Å; V1364-R1367 PolarHBondContact O-N 2.9Å; Q1365-R1367 VanDerWaalsContact C-N 3.34Å | ||
| 1368 | H | 77.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 22% | 0.222 | 34% | 0.341 | C | S | . | . | trans | -77.9 | 137.8 | 169.3 | 51 | -97.7 | 0 | 0 | 0 | 109.9 | I1324 E1360 I1361 | I1324-H1368 WeakPolarHBondContact CG2-CE1 3.3Å; E1360-H1368 CarbonylContact O-C 3.57Å; E1360-H1368 VanDerWaalsContact O-CA 3.26Å; E1360-H1368 WeakPolarHBondContact O-CA 3.39Å; I1361-H1368 HydrophobicContact CD1-CB 3.93Å | ||
| 1369 | K | 83.3 | Confident | 82.1 | Confident | 121 Ų | 121 | 72.5 Ų | 72.5 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.4 | -172.3 | -179.6 | -177.6 | 174.1 | -170.8 | 0 | 110.7 | F1359 E1360 L1371 | F1359-K1369 CarbonylContact C-O 3.6Å; F1359-K1369 VanDerWaalsContact CA-O 3.31Å; F1359-K1369 WeakPolarHBondContact CA-O 3.45Å; E1360-K1369 HydrophobicContact CB-CB 4.44Å; E1360-K1369 PolarHBondContact N-O 2.96Å; E1360-K1369 PolarHBondContact O-N 3.05Å; K1369-L1371 HydrophobicContact CD-CD2 4.19Å; K1369-L1371 HydrophobicContact CG-CD2 4.45Å; K1369-L1371 PolarHBondContact O-N 3.48Å |
| 1370 | R | 88.9 | Confident | 82.2 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 114.6 | 163.9 | -176.3 | 163.6 | 72.7 | -155.5 | 7.7 | 107.9 | E1328 F1359 | E1328-R1370 IonicContact OE2-CZ 3.04Å; E1328-R1370 IonicContact OE2-NH1 3.29Å; E1328-R1370 PolarHBondContact OE2-NH1 3.48Å; E1328-R1370 IonicContact OE2-NH2 3.6Å; F1359-R1370 HydrophobicContact CD1-CB 4.02Å; F1359-R1370 HydrophobicContact CE1-CB 3.82Å; F1359-R1370 HydrophobicContact CE1-CG 4.22Å |
| 1371 | L | 88.6 | Confident | 82.5 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -45.8 | 177.5 | -66.5 | -177.1 | 0 | 0 | 0 | 111.2 | L1347 I1358 E1360 K1369 W1406 | L1347-L1371 HydrophobicContact CD2-CD1 3.64Å; I1358-L1371 HydrophobicContact CG2-CB 4.47Å; I1358-L1371 HydrophobicContact CG2-CD1 4.42Å; I1358-L1371 PolarHBondContact O-N 3.02Å; E1360-L1371 HydrophobicContact CB-CD1 3.95Å; E1360-L1371 HydrophobicContact CB-CD2 3.85Å; E1360-L1371 HydrophobicContact CB-CG 3.82Å; K1369-L1371 HydrophobicContact CD-CD2 4.19Å; K1369-L1371 HydrophobicContact CG-CD2 4.45Å; K1369-L1371 PolarHBondContact O-N 3.48Å; L1371-W1406 HydrophobicContact CD1-CZ3 4.21Å |
| 1372 | K | 89.3 | Confident | 82.9 | Confident | 37 Ų | 37 | 72 Ų | 72 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 147.2 | -169.8 | -171.1 | 162.9 | 176.4 | 163.3 | 0 | 110.8 | I1358 I1374 S1404 I1405 T1407 D1408 | I1358-K1372 HydrophobicContact CB-CB 4.44Å; I1358-K1372 HydrophobicContact CD1-CB 4.47Å; I1358-K1372 PolarHBondContact N-O 2.99Å; I1358-K1372 PolarHBondContact O-N 2.87Å; K1372-I1374 HydrophobicContact CD-CD1 4.33Å; K1372-I1374 HydrophobicContact CD-CG1 4.23Å; K1372-I1374 HydrophobicContact CG-CG1 3.95Å; K1372-S1404 PolarHBondContact NZ-O 3.48Å; K1372-I1405 WeakPolarHBondContact CD-O 3.4Å; K1372-T1407 PolarHBondContact NZ-O 3.42Å; K1372-T1407 VanDerWaalsContact NZ-O 3.08Å; K1372-D1408 WeakPolarHBondContact CE-OD1 3.41Å; K1372-D1408 IonicContact NZ-OD1 2.72Å; K1372-D1408 PolarHBondContact NZ-OD1 2.86Å |
| 1373 | E | 92.5 | Very high | 84 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.3 | 161.7 | -173.5 | 174.9 | 165.7 | 0 | 0 | 108.4 | S1355 L1356 F1357 | S1355-E1373 WeakPolarHBondContact CB-OE1 3.2Å; S1355-E1373 PolarHBondContact OG-OE1 2.82Å; L1356-E1373 CarbonylContact O-C 3.56Å; L1356-E1373 VanDerWaalsContact O-CA 3.28Å; L1356-E1373 WeakPolarHBondContact O-CA 3.44Å; F1357-E1373 HydrophobicContact CD1-CB 4.49Å; F1357-E1373 HydrophobicContact CD1-CG 4.11Å; F1357-E1373 HydrophobicContact CE1-CG 3.84Å; F1357-E1373 WeakPolarHBondContact CE1-OE2 3.49Å; F1357-E1373 HydrophobicContact CE2-CG 4.48Å; F1357-E1373 HydrophobicContact CZ-CG 4.03Å; F1357-E1373 WeakPolarHBondContact CZ-OE1 3.39Å |
| 1374 | I | 91.1 | Very high | 85.3 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 108.3 | -179.8 | -53.5 | -179.9 | 0 | 0 | 0 | 108.8 | L1356 I1358 K1372 C1376 I1392 F1403 | L1356-I1374 HydrophobicContact CB-CB 4.26Å; L1356-I1374 PolarHBondContact N-O 3.35Å; L1356-I1374 PolarHBondContact O-N 2.86Å; I1358-I1374 HydrophobicContact CD1-CD1 3.85Å; K1372-I1374 HydrophobicContact CD-CD1 4.33Å; K1372-I1374 HydrophobicContact CD-CG1 4.23Å; K1372-I1374 HydrophobicContact CG-CG1 3.95Å; I1374-C1376 PolarHBondContact O-N 2.91Å; I1374-I1392 HydrophobicContact CD1-CG2 4.27Å; I1374-F1403 HydrophobicContact CD1-CB 3.88Å; I1374-F1403 HydrophobicContact CD1-CG 4.41Å; I1374-F1403 HydrophobicContact CG2-CD1 3.39Å; I1374-F1403 HydrophobicContact CG2-CE1 3.54Å; I1374-F1403 HydrophobicContact CG2-CG 4Å; I1374-F1403 HydrophobicContact CG2-CZ 4.28Å |
| 1375 | S | 90.4 | Very high | 86.3 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 67% | 0.671 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.9 | 170.9 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1376 | C | 90.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | trans | -100.1 | 145.7 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | R1354 I1374 Y1378 V1380 | R1354-C1376 WeakPolarHBondContact O-CA 3.4Å; R1354-C1376 WeakPolarHBondContact O-CB 3.33Å; R1354-C1376 PolarHBondContact O-N 3.48Å; I1374-C1376 PolarHBondContact O-N 2.91Å; C1376-Y1378 VanDerWaalsContact C-N 3.28Å; C1376-Y1378 PolarHBondContact O-N 3.34Å; C1376-V1380 HydrophobicContact CB-CG2 4.1Å | ||
| 1377 | P | 83.9 | Confident | 88.4 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.1 | -31.2 | -178.3 | 25 | -33.4 | 0 | 0 | 0 | 113 | R1354 Y1399 | R1354-P1377 PolarHBondContact NH1-O 3.37Å; P1377-Y1399 HydrophobicContact CG-CE1 3.84Å |
| 1378 | Y | 89.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 37% | 0.373 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -124.7 | 172.7 | -174.7 | -48.8 | -63.4 | 0 | 0 | 0 | 111.1 | C1376 V1380 Y1399 | C1376-Y1378 VanDerWaalsContact C-N 3.28Å; C1376-Y1378 PolarHBondContact O-N 3.34Å; Y1378-V1380 PolarHBondContact O-N 3.27Å; Y1378-Y1399 AromaticContact CD2-CD1 3.76Å; Y1378-Y1399 HydrophobicContact CD2-CD1 3.76Å; Y1378-Y1399 HydrophobicContact CD2-CE1 4.25Å; Y1378-Y1399 AromaticContact CD2-CG 3.89Å; Y1378-Y1399 HydrophobicContact CD2-CG 3.89Å; Y1378-Y1399 HydrophobicContact CE2-CD1 4.26Å; Y1378-Y1399 HydrophobicContact CE2-CD2 4.28Å; Y1378-Y1399 HydrophobicContact CE2-CG 4.02Å |
| 1379 | I | 91.7 | Very high | 88.6 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | trans | -67.9 | 130.3 | 176.7 | -53.7 | -176.9 | 0 | 0 | 0 | 109.3 | N1353 R1354 Q1381 S1396 | N1353-I1379 WeakPolarHBondContact O-CA 3.44Å; R1354-I1379 HydrophobicContact CG-CG1 4.26Å; I1379-Q1381 PolarHBondContact O-N 3.44Å; I1379-S1396 WeakPolarHBondContact O-CB 3.45Å; I1379-S1396 PolarHBondContact O-OG 2.79Å | ||
| 1380 | V | 94.1 | Very high | 88.6 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | trans | -75.9 | 117.2 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | A1351 N1353 L1356 C1376 Y1378 I1383 V1394 | A1351-V1380 HydrophobicContact CB-CB 4.11Å; A1351-V1380 HydrophobicContact CB-CG1 3.77Å; N1353-V1380 PolarHBondContact O-N 2.91Å; L1356-V1380 HydrophobicContact CD2-CB 4.47Å; L1356-V1380 HydrophobicContact CD2-CG1 4.03Å; L1356-V1380 HydrophobicContact CD2-CG2 3.93Å; L1356-V1380 HydrophobicContact CG-CG2 4.41Å; C1376-V1380 HydrophobicContact CB-CG2 4.1Å; Y1378-V1380 PolarHBondContact O-N 3.27Å; V1380-I1383 HydrophobicContact CG1-CG2 3.73Å; V1380-V1394 HydrophobicContact CG1-CG1 4Å; V1380-V1394 HydrophobicContact CG2-CG1 3.98Å | ||
| 1381 | Q | 93.1 | Very high | 88.7 | Confident | 53 Ų | 53 | 42 Ų | 42 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | trans | -97.3 | -37.4 | 174.8 | -72.8 | 172.6 | -36.2 | 0 | 0 | 111.8 | I1379 G1395 E1435 A1436 | I1379-Q1381 PolarHBondContact O-N 3.44Å; Q1381-G1395 PolarHBondContact N-O 3.44Å; Q1381-E1435 PolarHBondContact NE2-OE1 2.98Å; Q1381-A1436 WeakPolarHBondContact CB-O 3.24Å | ||
| 1382 | S | 92.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.6 | 179 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | G1395 A1436 H1437 | S1382-G1395 PolarHBondContact N-O 3.37Å; S1382-G1395 VanDerWaalsContact N-O 3.14Å; S1382-G1395 PolarHBondContact O-N 2.86Å; S1382-G1395 WeakPolarHBondContact OG-CA 3.49Å; S1382-A1436 VanDerWaalsContact CB-O 3.23Å; S1382-A1436 WeakPolarHBondContact CB-O 3.48Å; S1382-A1436 PolarHBondContact OG-O 3.11Å; S1382-H1437 WeakPolarHBondContact CB-O 3.27Å |
| 1383 | I | 94.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 129.3 | 179.7 | 44.9 | 178.4 | 0 | 0 | 0 | 109.5 | R1334 T1336 A1351 L1356 V1380 I1392 C1393 V1394 | R1334-I1383 HydrophobicContact CB-CD1 4.44Å; T1336-I1383 HydrophobicContact CG2-CB 4.09Å; T1336-I1383 HydrophobicContact CG2-CD1 4.02Å; T1336-I1383 HydrophobicContact CG2-CG1 3.94Å; A1351-I1383 HydrophobicContact CB-CD1 4.1Å; L1356-I1383 HydrophobicContact CD1-CG2 4.18Å; L1356-I1383 HydrophobicContact CD2-CG2 3.71Å; V1380-I1383 HydrophobicContact CG1-CG2 3.73Å; I1383-I1392 HydrophobicContact CB-CD1 4.3Å; I1383-C1393 WeakPolarHBondContact CA-O 3.45Å; I1383-V1394 HydrophobicContact CG2-CG1 4.39Å |
| 1384 | N | 92.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 130.9 | -180 | -66.8 | 102.4 | 0 | 0 | 0 | 109.8 | C1393 C1438 A1439 | N1384-C1393 PolarHBondContact N-O 2.84Å; N1384-C1393 PolarHBondContact O-N 3.04Å; N1384-C1438 WeakPolarHBondContact OD1-CA 3.33Å; N1384-A1439 WeakPolarHBondContact CB-O 3.49Å; N1384-A1439 VanDerWaalsContact CG-O 3.26Å; N1384-A1439 PolarHBondContact OD1-N 2.7Å; N1384-A1439 PolarHBondContact OD1-O 3.31Å |
| 1385 | F | 89.8 | Confident | 89.5 | Confident | 35 Ų | 35 | 32.7 Ų | 32.7 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.6 | 167.2 | -79 | -88.3 | 0 | 0 | 0 | 110.1 | T1336 S1338 L1347 C1349 G1389 I1392 I1405 | T1336-F1385 HydrophobicContact CG2-CD2 3.75Å; T1336-F1385 HydrophobicContact CG2-CE2 3.82Å; S1338-F1385 VanDerWaalsContact CB-CG 3.46Å; L1347-F1385 HydrophobicContact CB-CE1 4.25Å; L1347-F1385 HydrophobicContact CB-CZ 3.98Å; L1347-F1385 HydrophobicContact CD1-CE1 4.4Å; C1349-F1385 HydrophobicContact CB-CE2 4.2Å; C1349-F1385 HydrophobicContact CB-CZ 4.15Å; F1385-G1389 WeakPolarHBondContact CD1-O 3.29Å; F1385-I1392 HydrophobicContact CD2-CD1 4.25Å; F1385-I1392 HydrophobicContact CE2-CD1 4.43Å; F1385-I1392 HydrophobicContact CG-CD1 4.32Å; F1385-I1405 HydrophobicContact CD1-CD1 4.04Å; F1385-I1405 HydrophobicContact CE1-CD1 3.53Å |
| 1386 | V | 87.1 | Confident | 89.6 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 167.6 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | G1389 W1391 C1393 M1402 Q1441 F1447 | V1386-G1389 PolarHBondContact O-N 2.68Å; V1386-W1391 HydrophobicContact CG2-CB 3.87Å; V1386-W1391 PolarHBondContact N-O 2.77Å; V1386-W1391 PolarHBondContact O-N 2.75Å; V1386-W1391 VanDerWaalsContact O-O 3.13Å; V1386-C1393 HydrophobicContact CG1-CB 3.92Å; V1386-C1393 HydrophobicContact CG2-CB 3.93Å; V1386-M1402 HydrophobicContact CG2-CE 3.63Å; V1386-M1402 HydrophobicContact CG2-CG 4.09Å; V1386-M1402 HydrophobicContact CG2-SD 4.01Å; V1386-Q1441 HydrophobicContact CG1-CB 4.37Å; V1386-F1447 HydrophobicContact CB-CE1 4.1Å; V1386-F1447 HydrophobicContact CG1-CD1 4.49Å; V1386-F1447 HydrophobicContact CG1-CE1 4.38Å; V1386-F1447 HydrophobicContact CG2-CE1 4.29Å |
| 1387 | R | 84.4 | Confident | 89.6 | Confident | 50 Ų | 50 | 30 Ų | 30 | 19% | 0.189 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 64.6 | -171.8 | -68.4 | -178.3 | 176.6 | 152.1 | -1.4 | 110.6 | G1389 D1390 W1391 M1402 D1445 S1460 | R1387-G1389 PolarHBondContact O-N 2.81Å; R1387-D1390 WeakPolarHBondContact O-CB 3.24Å; R1387-D1390 PolarHBondContact O-N 2.9Å; R1387-D1390 VanDerWaalsContact O-N 3.08Å; R1387-W1391 HydrophobicContact CB-CG 4.38Å; R1387-M1402 HydrophobicContact CG-CE 4.1Å; R1387-D1445 IonicContact CZ-OD1 2.67Å; R1387-D1445 IonicContact NE-OD1 2.7Å; R1387-D1445 IonicContact NH2-OD1 3.12Å; R1387-D1445 PolarHBondContact NH2-OD1 2.82Å; R1387-S1460 PolarHBondContact NH2-OG 3.21Å |
| 1388 | D | 74.9 | Confident | 89.8 | Confident | 77 Ų | 77 | 28 Ų | 28 | 41% | 0.412 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32.3 | 175.5 | -52.3 | -30.9 | 0 | 0 | 0 | 114.9 | ||
| 1389 | G | 78.8 | Confident | 89.9 | Confident | 4 Ų | 4 | 24 Ų | 24 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -2.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1385 V1386 R1387 I1405 | F1385-G1389 WeakPolarHBondContact CD1-O 3.29Å; V1386-G1389 PolarHBondContact O-N 2.68Å; R1387-G1389 PolarHBondContact O-N 2.81Å; G1389-I1405 WeakPolarHBondContact O-CD1 3.48Å |
| 1390 | D | 83.1 | Confident | 90.1 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 8% | 0.075 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -23 | -177.6 | -75.2 | -37.5 | 0 | 0 | 0 | 115.1 | R1341 R1387 I1405 W1406 | R1341-D1390 WeakPolarHBondContact CD-OD1 3.42Å; R1341-D1390 WeakPolarHBondContact CG-OD1 3.37Å; R1341-D1390 IonicContact CZ-OD1 3.12Å; R1341-D1390 IonicContact CZ-OD2 3.83Å; R1341-D1390 IonicContact NE-OD1 2.74Å; R1341-D1390 PolarHBondContact NE-OD1 3.46Å; R1341-D1390 IonicContact NE-OD2 3.85Å; R1341-D1390 PolarHBondContact NE-OD2 3.35Å; R1341-D1390 IonicContact NH2-OD1 2.67Å; R1341-D1390 IonicContact NH2-OD2 3.74Å; R1341-D1390 PolarHBondContact NH2-OD2 2.91Å; R1387-D1390 WeakPolarHBondContact O-CB 3.24Å; R1387-D1390 PolarHBondContact O-N 2.9Å; R1387-D1390 VanDerWaalsContact O-N 3.08Å; D1390-I1405 WeakPolarHBondContact O-CB 3.41Å; D1390-I1405 VanDerWaalsContact O-CG1 3.27Å; D1390-I1405 WeakPolarHBondContact O-CG1 3.23Å; D1390-I1405 PolarHBondContact O-N 2.74Å; D1390-I1405 VanDerWaalsContact O-N 3.08Å; D1390-W1406 PolarHBondContact OD1-NE1 3.23Å |
| 1391 | W | 89.6 | Confident | 90.1 | Very high | 56 Ų | 56 | 19.3 Ų | 19.3 | 21% | 0.212 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.3 | -175.2 | -66.3 | 72.9 | 0 | 0 | 0 | 109.5 | V1386 R1387 M1402 F1403 S1404 Q1412 | V1386-W1391 HydrophobicContact CG2-CB 3.87Å; V1386-W1391 PolarHBondContact N-O 2.77Å; V1386-W1391 PolarHBondContact O-N 2.75Å; V1386-W1391 VanDerWaalsContact O-O 3.13Å; R1387-W1391 HydrophobicContact CB-CG 4.38Å; W1391-M1402 HydrophobicContact CB-CE 3.95Å; W1391-M1402 HydrophobicContact CD2-CE 4.05Å; W1391-M1402 HydrophobicContact CE3-CB 3.85Å; W1391-M1402 HydrophobicContact CE3-CE 4.12Å; W1391-M1402 HydrophobicContact CG-CE 3.98Å; W1391-M1402 HydrophobicContact CZ3-CB 4.46Å; W1391-F1403 VanDerWaalsContact CA-O 3.31Å; W1391-F1403 WeakPolarHBondContact CA-O 3.47Å; W1391-S1404 VanDerWaalsContact CE3-N 3.32Å; W1391-Q1412 HydrophobicContact CZ3-CB 4.11Å |
| 1392 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.4 | 166.8 | -167.9 | 78 | 0 | 0 | 0 | 108.5 | T1336 C1349 L1356 I1374 I1383 F1385 V1394 M1402 F1403 | T1336-I1392 HydrophobicContact CG2-CD1 3.91Å; C1349-I1392 HydrophobicContact CB-CD1 3.84Å; C1349-I1392 HydrophobicContact CB-CG1 4.45Å; L1356-I1392 HydrophobicContact CD1-CG1 4.44Å; L1356-I1392 HydrophobicContact CD1-CG2 4.29Å; I1374-I1392 HydrophobicContact CD1-CG2 4.27Å; I1383-I1392 HydrophobicContact CB-CD1 4.3Å; F1385-I1392 HydrophobicContact CD2-CD1 4.25Å; F1385-I1392 HydrophobicContact CE2-CD1 4.43Å; F1385-I1392 HydrophobicContact CG-CD1 4.32Å; I1392-V1394 HydrophobicContact CG1-CG2 4.27Å; I1392-V1394 HydrophobicContact CG2-CG2 4.16Å; I1392-M1402 CarbonylContact O-C 3.54Å; I1392-M1402 WeakPolarHBondContact O-CA 3.3Å; I1392-F1403 HydrophobicContact CG2-CB 3.98Å; I1392-F1403 PolarHBondContact N-O 3.31Å; I1392-F1403 PolarHBondContact O-N 2.63Å |
| 1393 | C | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.8 | 166.8 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | I1383 N1384 V1386 A1401 M1402 A1439 | I1383-C1393 WeakPolarHBondContact CA-O 3.45Å; N1384-C1393 PolarHBondContact N-O 2.84Å; N1384-C1393 PolarHBondContact O-N 3.04Å; V1386-C1393 HydrophobicContact CG1-CB 3.92Å; V1386-C1393 HydrophobicContact CG2-CB 3.93Å; C1393-A1401 WeakPolarHBondContact CA-O 3.21Å; C1393-M1402 HydrophobicContact CB-CG 3.99Å; C1393-A1439 HydrophobicContact CB-CB 4.13Å; C1393-A1439 WeakPolarHBondContact SG-CB 3.41Å |
| 1394 | V | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.5 | -169.9 | -168.9 | 0 | 0 | 0 | 0 | 108.2 | L1356 V1380 I1383 I1392 F1400 A1401 F1403 | L1356-V1394 HydrophobicContact CD1-CB 4.37Å; L1356-V1394 HydrophobicContact CD1-CG1 4.01Å; L1356-V1394 HydrophobicContact CD1-CG2 3.39Å; V1380-V1394 HydrophobicContact CG1-CG1 4Å; V1380-V1394 HydrophobicContact CG2-CG1 3.98Å; I1383-V1394 HydrophobicContact CG2-CG1 4.39Å; I1392-V1394 HydrophobicContact CG1-CG2 4.27Å; I1392-V1394 HydrophobicContact CG2-CG2 4.16Å; V1394-F1400 VanDerWaalsContact O-CA 3.31Å; V1394-F1400 WeakPolarHBondContact O-CA 2.97Å; V1394-A1401 PolarHBondContact N-O 3.02Å; V1394-A1401 PolarHBondContact O-N 3.38Å; V1394-F1403 HydrophobicContact CB-CD2 4.36Å; V1394-F1403 HydrophobicContact CB-CE2 4.03Å; V1394-F1403 HydrophobicContact CG2-CD2 3.58Å; V1394-F1403 HydrophobicContact CG2-CE2 3.7Å |
| 1395 | G | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1381 S1382 Y1399 F1400 | Q1381-G1395 PolarHBondContact N-O 3.44Å; S1382-G1395 PolarHBondContact N-O 3.37Å; S1382-G1395 VanDerWaalsContact N-O 3.14Å; S1382-G1395 PolarHBondContact O-N 2.86Å; S1382-G1395 WeakPolarHBondContact OG-CA 3.49Å; G1395-Y1399 WeakPolarHBondContact CA-O 3.18Å; G1395-F1400 VanDerWaalsContact CA-CD1 3.44Å; G1395-F1400 VanDerWaalsContact CA-CE1 3.48Å |
| 1396 | S | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 173.9 | 170.6 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | I1379 N1398 Y1399 A1436 | I1379-S1396 WeakPolarHBondContact O-CB 3.45Å; I1379-S1396 PolarHBondContact O-OG 2.79Å; S1396-N1398 PolarHBondContact O-N 3.46Å; S1396-N1398 VanDerWaalsContact O-N 3.11Å; S1396-Y1399 PolarHBondContact N-O 3.03Å; S1396-Y1399 PolarHBondContact O-N 3.4Å; S1396-A1436 VanDerWaalsContact O-CB 3.3Å; S1396-A1436 WeakPolarHBondContact O-CB 3.18Å |
| 1397 | S | 90.8 | Very high | 89.3 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 34% | 0.336 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 121.8 | 178.7 | -170.5 | 0 | 0 | 0 | 0 | 111 | Y1399 P1433 | S1397-Y1399 PolarHBondContact O-N 2.79Å; S1397-Y1399 VanDerWaalsContact O-N 3.14Å; S1397-P1433 WeakPolarHBondContact OG-CB 3.49Å |
| 1398 | N | 88.6 | Confident | 89.1 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 28.3 | -175.6 | -58.8 | -5.6 | 0 | 0 | 0 | 115.5 | S1396 G1417 F1429 S1432 S1434 | S1396-N1398 PolarHBondContact O-N 3.46Å; S1396-N1398 VanDerWaalsContact O-N 3.11Å; N1398-G1417 PolarHBondContact O-N 3.05Å; N1398-F1429 HydrophobicContact CB-CD1 4.44Å; N1398-F1429 PolarHBondContact ND2-O 3.23Å; N1398-S1432 PolarHBondContact ND2-O 3.09Å; N1398-S1434 PolarHBondContact N-O 3.2Å; N1398-S1434 WeakPolarHBondContact OD1-CB 3.46Å; N1398-S1434 PolarHBondContact OD1-N 3.18Å; N1398-S1434 PolarHBondContact OD1-O 3.48Å |
| 1399 | Y | 91.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 133.2 | -176.2 | 177.1 | -117.2 | 0 | 0 | 0 | 113.2 | P1377 Y1378 G1395 S1396 S1397 A1401 V1413 L1415 R1416 | P1377-Y1399 HydrophobicContact CG-CE1 3.84Å; Y1378-Y1399 AromaticContact CD2-CD1 3.76Å; Y1378-Y1399 HydrophobicContact CD2-CD1 3.76Å; Y1378-Y1399 HydrophobicContact CD2-CE1 4.25Å; Y1378-Y1399 AromaticContact CD2-CG 3.89Å; Y1378-Y1399 HydrophobicContact CD2-CG 3.89Å; Y1378-Y1399 HydrophobicContact CE2-CD1 4.26Å; Y1378-Y1399 HydrophobicContact CE2-CD2 4.28Å; Y1378-Y1399 HydrophobicContact CE2-CG 4.02Å; G1395-Y1399 WeakPolarHBondContact CA-O 3.18Å; S1396-Y1399 PolarHBondContact N-O 3.03Å; S1396-Y1399 PolarHBondContact O-N 3.4Å; S1397-Y1399 PolarHBondContact O-N 2.79Å; S1397-Y1399 VanDerWaalsContact O-N 3.14Å; Y1399-A1401 HydrophobicContact CE1-CB 3.99Å; Y1399-A1401 HydrophobicContact CE2-CB 3.86Å; Y1399-A1401 VanDerWaalsContact CZ-CB 3.44Å; Y1399-A1401 VanDerWaalsContact OH-CB 3.26Å; Y1399-A1401 WeakPolarHBondContact OH-CB 3.14Å; Y1399-V1413 HydrophobicContact CD2-CG1 4.31Å; Y1399-V1413 HydrophobicContact CE2-CB 4.48Å; Y1399-V1413 HydrophobicContact CE2-CG1 3.9Å; Y1399-V1413 HydrophobicContact CE2-CG2 3.91Å; Y1399-L1415 WeakPolarHBondContact CA-O 3.19Å; Y1399-L1415 WeakPolarHBondContact CD2-O 3.3Å; Y1399-R1416 HydrophobicContact CD2-CB 4.19Å; Y1399-R1416 HydrophobicContact CD2-CG 3.76Å; Y1399-R1416 HydrophobicContact CE2-CG 4.19Å |
| 1400 | F | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.6 | 160.2 | -82.5 | -81.9 | 0 | 0 | 0 | 110.8 | V1394 G1395 L1414 L1415 A1436 C1438 A1439 L1449 F1451 | V1394-F1400 VanDerWaalsContact O-CA 3.31Å; V1394-F1400 WeakPolarHBondContact O-CA 2.97Å; G1395-F1400 VanDerWaalsContact CA-CD1 3.44Å; G1395-F1400 VanDerWaalsContact CA-CE1 3.48Å; F1400-L1414 HydrophobicContact CB-CB 4.37Å; F1400-L1414 PolarHBondContact O-N 3.39Å; F1400-L1415 PolarHBondContact N-O 3.46Å; F1400-L1415 PolarHBondContact O-N 2.69Å; F1400-A1436 HydrophobicContact CD2-CB 4.44Å; F1400-A1436 HydrophobicContact CE1-CB 4.18Å; F1400-A1436 HydrophobicContact CE2-CB 3.69Å; F1400-A1436 HydrophobicContact CZ-CB 3.56Å; F1400-C1438 VanDerWaalsContact CZ-O 3.3Å; F1400-C1438 WeakPolarHBondContact CZ-O 3.29Å; F1400-A1439 HydrophobicContact CD1-CB 3.96Å; F1400-A1439 HydrophobicContact CE1-CB 3.75Å; F1400-A1439 HydrophobicContact CZ-CB 4.48Å; F1400-L1449 HydrophobicContact CB-CD1 4.03Å; F1400-L1449 HydrophobicContact CB-CD2 4.04Å; F1400-L1449 HydrophobicContact CD1-CD2 4.23Å; F1400-L1449 HydrophobicContact CD2-CB 3.77Å; F1400-L1449 HydrophobicContact CD2-CD1 3.95Å; F1400-L1449 HydrophobicContact CD2-CD2 3.98Å; F1400-L1449 HydrophobicContact CD2-CG 4.11Å; F1400-L1449 HydrophobicContact CE2-CB 3.79Å; F1400-L1449 HydrophobicContact CE2-CD2 4.45Å; F1400-L1449 HydrophobicContact CG-CB 4.5Å; F1400-L1449 HydrophobicContact CG-CD1 4.25Å; F1400-L1449 HydrophobicContact CG-CD2 3.85Å; F1400-L1449 HydrophobicContact CG-CG 4.42Å; F1400-F1451 AromaticContact CD2-CE1 3.84Å; F1400-F1451 HydrophobicContact CD2-CE1 3.84Å; F1400-F1451 AromaticContact CD2-CE2 3.9Å; F1400-F1451 HydrophobicContact CD2-CE2 3.9Å; F1400-F1451 AromaticContact CD2-CZ 3.4Å; F1400-F1451 HydrophobicContact CD2-CZ 3.4Å; F1400-F1451 VanDerWaalsContact CD2-CZ 3.4Å; F1400-F1451 HydrophobicContact CE2-CD1 4.15Å; F1400-F1451 HydrophobicContact CE2-CD2 4.29Å; F1400-F1451 AromaticContact CE2-CE1 3.72Å; F1400-F1451 HydrophobicContact CE2-CE1 3.72Å; F1400-F1451 AromaticContact CE2-CE2 3.88Å; F1400-F1451 HydrophobicContact CE2-CE2 3.88Å; F1400-F1451 HydrophobicContact CE2-CG 4.43Å; F1400-F1451 AromaticContact CE2-CZ 3.6Å; F1400-F1451 HydrophobicContact CE2-CZ 3.6Å |
| 1401 | A | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1393 V1394 Y1399 F1403 A1411 V1413 | C1393-A1401 WeakPolarHBondContact CA-O 3.21Å; V1394-A1401 PolarHBondContact N-O 3.02Å; V1394-A1401 PolarHBondContact O-N 3.38Å; Y1399-A1401 HydrophobicContact CE1-CB 3.99Å; Y1399-A1401 HydrophobicContact CE2-CB 3.86Å; Y1399-A1401 VanDerWaalsContact CZ-CB 3.44Å; Y1399-A1401 VanDerWaalsContact OH-CB 3.26Å; Y1399-A1401 WeakPolarHBondContact OH-CB 3.14Å; A1401-F1403 HydrophobicContact CB-CE2 3.91Å; A1401-F1403 HydrophobicContact CB-CZ 4.45Å; A1401-A1411 HydrophobicContact CB-CB 4.27Å; A1401-V1413 HydrophobicContact CB-CB 4.35Å; A1401-V1413 HydrophobicContact CB-CG2 4.04Å |
| 1402 | M | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.5 | 174.4 | -68.3 | 172.6 | 49.5 | 0 | 0 | 110.9 | V1386 R1387 W1391 I1392 C1393 Q1412 L1414 F1447 | V1386-M1402 HydrophobicContact CG2-CE 3.63Å; V1386-M1402 HydrophobicContact CG2-CG 4.09Å; V1386-M1402 HydrophobicContact CG2-SD 4.01Å; R1387-M1402 HydrophobicContact CG-CE 4.1Å; W1391-M1402 HydrophobicContact CB-CE 3.95Å; W1391-M1402 HydrophobicContact CD2-CE 4.05Å; W1391-M1402 HydrophobicContact CE3-CB 3.85Å; W1391-M1402 HydrophobicContact CE3-CE 4.12Å; W1391-M1402 HydrophobicContact CG-CE 3.98Å; W1391-M1402 HydrophobicContact CZ3-CB 4.46Å; I1392-M1402 CarbonylContact O-C 3.54Å; I1392-M1402 WeakPolarHBondContact O-CA 3.3Å; C1393-M1402 HydrophobicContact CB-CG 3.99Å; M1402-Q1412 HydrophobicContact CB-CB 4.32Å; M1402-Q1412 PolarHBondContact N-O 3.39Å; M1402-Q1412 PolarHBondContact O-N 3.48Å; M1402-L1414 HydrophobicContact CG-CD1 3.99Å; M1402-L1414 HydrophobicContact CG-CD2 4.39Å; M1402-L1414 HydrophobicContact CG-CG 4.23Å; M1402-L1414 HydrophobicContact SD-CD1 3.98Å; M1402-L1414 HydrophobicContact SD-CD2 3.91Å; M1402-L1414 HydrophobicContact SD-CG 4.29Å; M1402-F1447 HydrophobicContact CE-CE1 4.37Å; M1402-F1447 HydrophobicContact CE-CZ 4.03Å; M1402-F1447 HydrophobicContact SD-CD1 4.42Å; M1402-F1447 HydrophobicContact SD-CE1 3.84Å; M1402-F1447 HydrophobicContact SD-CE2 4.01Å; M1402-F1447 HydrophobicContact SD-CZ 3.62Å |
| 1403 | F | 93.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.8 | 176.4 | -60.3 | -107.9 | 0 | 0 | 0 | 109.7 | I1374 W1391 I1392 V1394 A1401 A1411 | I1374-F1403 HydrophobicContact CD1-CB 3.88Å; I1374-F1403 HydrophobicContact CD1-CG 4.41Å; I1374-F1403 HydrophobicContact CG2-CD1 3.39Å; I1374-F1403 HydrophobicContact CG2-CE1 3.54Å; I1374-F1403 HydrophobicContact CG2-CG 4Å; I1374-F1403 HydrophobicContact CG2-CZ 4.28Å; W1391-F1403 VanDerWaalsContact CA-O 3.31Å; W1391-F1403 WeakPolarHBondContact CA-O 3.47Å; I1392-F1403 HydrophobicContact CG2-CB 3.98Å; I1392-F1403 PolarHBondContact N-O 3.31Å; I1392-F1403 PolarHBondContact O-N 2.63Å; V1394-F1403 HydrophobicContact CB-CD2 4.36Å; V1394-F1403 HydrophobicContact CB-CE2 4.03Å; V1394-F1403 HydrophobicContact CG2-CD2 3.58Å; V1394-F1403 HydrophobicContact CG2-CE2 3.7Å; A1401-F1403 HydrophobicContact CB-CE2 3.91Å; A1401-F1403 HydrophobicContact CB-CZ 4.45Å; F1403-A1411 HydrophobicContact CD1-CB 3.83Å; F1403-A1411 HydrophobicContact CE1-CB 3.46Å; F1403-A1411 VanDerWaalsContact CE1-CB 3.46Å; F1403-A1411 HydrophobicContact CE2-CB 4.2Å; F1403-A1411 HydrophobicContact CG-CB 4.37Å; F1403-A1411 HydrophobicContact CZ-CB 3.66Å |
| 1404 | S | 90.2 | Very high | 89.6 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.2 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 110 | K1372 W1391 T1407 | K1372-S1404 PolarHBondContact NZ-O 3.48Å; W1391-S1404 VanDerWaalsContact CE3-N 3.32Å; S1404-T1407 WeakPolarHBondContact CB-OG1 3.22Å; S1404-T1407 PolarHBondContact OG-N 3.12Å; S1404-T1407 PolarHBondContact OG-OG1 3.17Å |
| 1405 | I | 87.9 | Confident | 89.3 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -68.6 | -42.8 | 177.2 | -60.4 | 178.7 | 0 | 0 | 0 | 109.8 | L1347 I1358 K1372 F1385 G1389 D1390 | L1347-I1405 HydrophobicContact CD1-CD1 4.3Å; I1358-I1405 HydrophobicContact CD1-CB 4.45Å; I1358-I1405 HydrophobicContact CD1-CG1 3.99Å; I1358-I1405 HydrophobicContact CD1-CG2 4.16Å; I1358-I1405 HydrophobicContact CG2-CG2 4.16Å; K1372-I1405 WeakPolarHBondContact CD-O 3.4Å; F1385-I1405 HydrophobicContact CD1-CD1 4.04Å; F1385-I1405 HydrophobicContact CE1-CD1 3.53Å; G1389-I1405 WeakPolarHBondContact O-CD1 3.48Å; D1390-I1405 WeakPolarHBondContact O-CB 3.41Å; D1390-I1405 VanDerWaalsContact O-CG1 3.27Å; D1390-I1405 WeakPolarHBondContact O-CG1 3.23Å; D1390-I1405 PolarHBondContact O-N 2.74Å; D1390-I1405 VanDerWaalsContact O-N 3.08Å |
| 1406 | W | 85.1 | Confident | 88.7 | Confident | 117 Ų | 117 | 39.6 Ų | 39.6 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -90 | -14.1 | -168.6 | -48.4 | 116.1 | 0 | 0 | 0 | 115.3 | L1347 L1371 D1390 | L1347-W1406 HydrophobicContact CD1-CH2 3.94Å; L1347-W1406 HydrophobicContact CD1-CZ2 3.87Å; L1347-W1406 HydrophobicContact CD2-CH2 4.32Å; L1371-W1406 HydrophobicContact CD1-CZ3 4.21Å; D1390-W1406 PolarHBondContact OD1-NE1 3.23Å |
| 1407 | T | 83.1 | Confident | 87.8 | Confident | 80 Ų | 80 | 40 Ų | 40 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -132.1 | 136.5 | -175.8 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | K1372 S1404 G1409 | K1372-T1407 PolarHBondContact NZ-O 3.42Å; K1372-T1407 VanDerWaalsContact NZ-O 3.08Å; S1404-T1407 WeakPolarHBondContact CB-OG1 3.22Å; S1404-T1407 PolarHBondContact OG-N 3.12Å; S1404-T1407 PolarHBondContact OG-OG1 3.17Å; T1407-G1409 VanDerWaalsContact C-N 3.28Å; T1407-G1409 PolarHBondContact O-N 3.16Å |
| 1408 | D | 79.7 | Confident | 86.8 | Confident | 151 Ų | 151 | 41.4 Ų | 41.4 | 81% | 0.807 | 23% | 0.232 | S | C | * | . | trans | -83.6 | 76.3 | 174.2 | -59.9 | -37.2 | 0 | 0 | 0 | 110.2 | K1372 | K1372-D1408 WeakPolarHBondContact CE-OD1 3.41Å; K1372-D1408 IonicContact NZ-OD1 2.72Å; K1372-D1408 PolarHBondContact NZ-OD1 2.86Å | ||
| 1409 | G | 81.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | trans | -115.8 | 166.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1407 | T1407-G1409 VanDerWaalsContact C-N 3.28Å; T1407-G1409 PolarHBondContact O-N 3.16Å | ||
| 1410 | P | 84.2 | Confident | 84.2 | Confident | 128 Ų | 128 | 44.2 Ų | 44.2 | 83% | 0.831 | 25% | 0.247 | S | C | * | . | trans | -64 | 152.8 | 177.7 | 28.6 | -35.7 | 0 | 0 | 0 | 111.8 | Q1412 | P1410-Q1412 PolarHBondContact O-N 3.39Š| ||
| 1411 | A | 87.7 | Confident | 82.2 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | trans | -62.1 | 125.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1401 F1403 V1413 | A1401-A1411 HydrophobicContact CB-CB 4.27Å; F1403-A1411 HydrophobicContact CD1-CB 3.83Å; F1403-A1411 HydrophobicContact CE1-CB 3.46Å; F1403-A1411 VanDerWaalsContact CE1-CB 3.46Å; F1403-A1411 HydrophobicContact CE2-CB 4.2Å; F1403-A1411 HydrophobicContact CG-CB 4.37Å; F1403-A1411 HydrophobicContact CZ-CB 3.66Å; A1411-V1413 PolarHBondContact O-N 2.94Å | ||
| 1412 | Q | 90.6 | Very high | 80.4 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 79.3 | 170.7 | -173.9 | 162.4 | 35.4 | 0 | 0 | 109 | W1391 M1402 P1410 L1414 S1460 | W1391-Q1412 HydrophobicContact CZ3-CB 4.11Å; M1402-Q1412 HydrophobicContact CB-CB 4.32Å; M1402-Q1412 PolarHBondContact N-O 3.39Å; M1402-Q1412 PolarHBondContact O-N 3.48Å; P1410-Q1412 PolarHBondContact O-N 3.39Å; Q1412-L1414 PolarHBondContact O-N 3.35Å; Q1412-S1460 PolarHBondContact NE2-O 3.46Å; Q1412-S1460 PolarHBondContact NE2-OG 3.48Å; Q1412-S1460 VanDerWaalsContact NE2-OG 3.13Å |
| 1413 | V | 90.4 | Very high | 78.9 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 125.6 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | Y1399 A1401 A1411 R1416 R1462 | Y1399-V1413 HydrophobicContact CD2-CG1 4.31Å; Y1399-V1413 HydrophobicContact CE2-CB 4.48Å; Y1399-V1413 HydrophobicContact CE2-CG1 3.9Å; Y1399-V1413 HydrophobicContact CE2-CG2 3.91Å; A1401-V1413 HydrophobicContact CB-CB 4.35Å; A1401-V1413 HydrophobicContact CB-CG2 4.04Å; A1411-V1413 PolarHBondContact O-N 2.94Å; V1413-R1416 HydrophobicContact CG1-CB 3.95Å; V1413-R1462 WeakPolarHBondContact O-CG 3.01Å; V1413-R1462 PolarHBondContact O-NE 3.32Å |
| 1414 | L | 90.3 | Very high | 77.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -41.8 | 176.7 | -58.4 | -177.9 | 0 | 0 | 0 | 111.5 | F1400 M1402 Q1412 F1447 L1449 M1458 | F1400-L1414 HydrophobicContact CB-CB 4.37Å; F1400-L1414 PolarHBondContact O-N 3.39Å; M1402-L1414 HydrophobicContact CG-CD1 3.99Å; M1402-L1414 HydrophobicContact CG-CD2 4.39Å; M1402-L1414 HydrophobicContact CG-CG 4.23Å; M1402-L1414 HydrophobicContact SD-CD1 3.98Å; M1402-L1414 HydrophobicContact SD-CD2 3.91Å; M1402-L1414 HydrophobicContact SD-CG 4.29Å; Q1412-L1414 PolarHBondContact O-N 3.35Å; L1414-F1447 HydrophobicContact CD1-CB 4.25Å; L1414-F1447 HydrophobicContact CD1-CD2 4.31Å; L1414-F1447 HydrophobicContact CD1-CG 4.17Å; L1414-F1447 HydrophobicContact CD2-CD2 4.42Å; L1414-L1449 HydrophobicContact CB-CD1 4.17Å; L1414-L1449 HydrophobicContact CD1-CD2 3.91Å; L1414-M1458 WeakPolarHBondContact O-CE 3.39Å |
| 1415 | L | 88.7 | Confident | 76.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 138.4 | 176.3 | -166.5 | 151.4 | 0 | 0 | 0 | 109.2 | Y1399 F1400 L1426 F1429 L1449 F1451 M1458 | Y1399-L1415 WeakPolarHBondContact CA-O 3.19Å; Y1399-L1415 WeakPolarHBondContact CD2-O 3.3Å; F1400-L1415 PolarHBondContact N-O 3.46Å; F1400-L1415 PolarHBondContact O-N 2.69Å; L1415-L1426 HydrophobicContact CD1-CD1 4.43Å; L1415-F1429 HydrophobicContact CD1-CD2 4.48Å; L1415-F1429 HydrophobicContact CD1-CE2 4.23Å; L1415-F1429 HydrophobicContact CD2-CD2 4.44Å; L1415-L1449 HydrophobicContact CB-CD1 4.01Å; L1415-F1451 HydrophobicContact CD1-CE2 4.31Å; L1415-F1451 HydrophobicContact CD2-CZ 4.06Å; L1415-M1458 HydrophobicContact CD1-CE 4.33Å; L1415-M1458 HydrophobicContact CD1-CG 4.46Å; L1415-M1458 HydrophobicContact CD1-SD 4.47Å |
| 1416 | R | 83.5 | Confident | 76.1 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 126.6 | 170.9 | -152.9 | 176 | 81.3 | -177.8 | 8.3 | 107.4 | Y1399 V1413 D1418 L1419 I1420 | Y1399-R1416 HydrophobicContact CD2-CB 4.19Å; Y1399-R1416 HydrophobicContact CD2-CG 3.76Å; Y1399-R1416 HydrophobicContact CE2-CG 4.19Å; V1413-R1416 HydrophobicContact CG1-CB 3.95Å; R1416-D1418 WeakPolarHBondContact CD-OD1 3.21Å; R1416-D1418 WeakPolarHBondContact CG-OD1 3.34Å; R1416-D1418 IonicContact CZ-OD1 3.7Å; R1416-D1418 IonicContact CZ-OD2 3.69Å; R1416-D1418 VanDerWaalsContact CZ-OD2 3.29Å; R1416-D1418 IonicContact NE-OD1 2.67Å; R1416-D1418 PolarHBondContact NE-OD1 3.24Å; R1416-D1418 IonicContact NE-OD2 2.85Å; R1416-D1418 PolarHBondContact NE-OD2 3.25Å; R1416-D1418 IonicContact NH2-OD1 3.43Å; R1416-D1418 IonicContact NH2-OD2 3.48Å; R1416-D1418 PolarHBondContact NH2-OD2 3.43Å; R1416-D1418 PolarHBondContact O-N 2.86Å; R1416-D1418 VanDerWaalsContact O-N 3.12Å; R1416-L1419 VanDerWaalsContact CZ-CD1 3.42Å; R1416-L1419 PolarHBondContact O-N 3.21Å; R1416-L1419 VanDerWaalsContact O-N 3.13Å; R1416-I1420 WeakPolarHBondContact O-CG1 3.14Å |
| 1417 | G | 74.2 | Confident | 75.5 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1398 I1420 Q1430 | N1398-G1417 PolarHBondContact O-N 3.05Å; G1417-I1420 WeakPolarHBondContact O-CD1 3.39Å; G1417-I1420 WeakPolarHBondContact O-CG1 3.39Å; G1417-Q1430 WeakPolarHBondContact O-CG 3.13Å |
| 1418 | D | 69.9 | Low | 75 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -17 | -177.8 | 65.4 | -33.9 | 0 | 0 | 0 | 114.9 | R1416 | R1416-D1418 WeakPolarHBondContact CD-OD1 3.21Å; R1416-D1418 WeakPolarHBondContact CG-OD1 3.34Å; R1416-D1418 IonicContact CZ-OD1 3.7Å; R1416-D1418 IonicContact CZ-OD2 3.69Å; R1416-D1418 VanDerWaalsContact CZ-OD2 3.29Å; R1416-D1418 IonicContact NE-OD1 2.67Å; R1416-D1418 PolarHBondContact NE-OD1 3.24Å; R1416-D1418 IonicContact NE-OD2 2.85Å; R1416-D1418 PolarHBondContact NE-OD2 3.25Å; R1416-D1418 IonicContact NH2-OD1 3.43Å; R1416-D1418 IonicContact NH2-OD2 3.48Å; R1416-D1418 PolarHBondContact NH2-OD2 3.43Å; R1416-D1418 PolarHBondContact O-N 2.86Å; R1416-D1418 VanDerWaalsContact O-N 3.12Å |
| 1419 | L | 63.2 | Low | 74.9 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | trans | -102.3 | 35.4 | -178 | -69 | -179 | 0 | 0 | 0 | 113 | R1416 D1421 | R1416-L1419 VanDerWaalsContact CZ-CD1 3.42Å; R1416-L1419 PolarHBondContact O-N 3.21Å; R1416-L1419 VanDerWaalsContact O-N 3.13Å; L1419-D1421 PolarHBondContact O-N 3.19Å | ||
| 1420 | I | 61.5 | Low | 74.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | trans | -95.2 | 46.9 | -174.7 | -50.3 | -176.7 | 0 | 0 | 0 | 110.6 | R1416 G1417 L1422 D1423 L1426 F1429 | R1416-I1420 WeakPolarHBondContact O-CG1 3.14Å; G1417-I1420 WeakPolarHBondContact O-CD1 3.39Å; G1417-I1420 WeakPolarHBondContact O-CG1 3.39Å; I1420-L1422 PolarHBondContact O-N 3.15Å; I1420-D1423 WeakPolarHBondContact CG2-O 2.89Å; I1420-L1426 HydrophobicContact CD1-CB 4.22Å; I1420-L1426 WeakPolarHBondContact CD1-O 3.44Å; I1420-L1426 HydrophobicContact CG2-CB 3.56Å; I1420-F1429 HydrophobicContact CD1-CB 3.74Å; I1420-F1429 HydrophobicContact CD1-CD2 4.35Å | ||
| 1421 | D | 53.2 | Low | 73.8 | Confident | 129 Ų | 129 | 53.4 Ų | 53.4 | 69% | 0.69 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -79.8 | 2.6 | -177.8 | -52.2 | -40.3 | 0 | 0 | 0 | 113.2 | L1419 | L1419-D1421 PolarHBondContact O-N 3.19Š|
| 1422 | L | 55 | Low | 73 | Confident | 171 Ų | 171 | 53.4 Ų | 53.4 | 90% | 0.895 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -129 | -11.4 | -165.5 | -76.1 | 163.4 | 0 | 0 | 0 | 115.4 | I1420 | I1420-L1422 PolarHBondContact O-N 3.15Š|
| 1423 | D | 64.5 | Low | 72.4 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | trans | -147.6 | 103.4 | 177.7 | -172.6 | -14 | 0 | 0 | 0 | 111.1 | I1420 S1425 L1426 K1464 | I1420-D1423 WeakPolarHBondContact CG2-O 2.89Å; D1423-S1425 PolarHBondContact O-N 3.46Å; D1423-S1425 VanDerWaalsContact O-N 3.11Å; D1423-S1425 WeakPolarHBondContact OD1-CA 3.34Å; D1423-S1425 WeakPolarHBondContact OD1-CB 3.41Å; D1423-S1425 PolarHBondContact OD1-N 3.42Å; D1423-S1425 PolarHBondContact OD1-OG 3.12Å; D1423-S1425 PolarHBondContact OD2-OG 3.09Å; D1423-L1426 HydrophobicContact CB-CD1 4.26Å; D1423-L1426 HydrophobicContact CB-CG 4.36Å; D1423-L1426 PolarHBondContact O-N 3.36Å; D1423-K1464 WeakPolarHBondContact OD2-CD 3.47Å | ||
| 1424 | S | 66.3 | Low | 72.2 | Confident | 109 Ų | 109 | 54.8 Ų | 54.8 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.4 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | L1426 | S1424-L1426 PolarHBondContact O-N 3.26Š|
| 1425 | S | 67.9 | Low | 72.1 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.7 | 171.4 | 81.2 | 0 | 0 | 0 | 0 | 114.1 | D1423 F1428 K1464 | D1423-S1425 PolarHBondContact O-N 3.46Å; D1423-S1425 VanDerWaalsContact O-N 3.11Å; D1423-S1425 WeakPolarHBondContact OD1-CA 3.34Å; D1423-S1425 WeakPolarHBondContact OD1-CB 3.41Å; D1423-S1425 PolarHBondContact OD1-N 3.42Å; D1423-S1425 PolarHBondContact OD1-OG 3.12Å; D1423-S1425 PolarHBondContact OD2-OG 3.09Å; S1425-F1428 WeakPolarHBondContact O-CD1 3.45Å; S1425-F1428 WeakPolarHBondContact O-CE1 3.49Å; S1425-K1464 PolarHBondContact OG-NZ 2.73Å; S1425-K1464 VanDerWaalsContact OG-NZ 3.07Å |
| 1426 | L | 76.6 | Confident | 72.3 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -8.5 | 178.7 | -60.6 | 178.9 | 0 | 0 | 0 | 113.1 | L1415 I1420 D1423 S1424 F1428 F1429 V1456 M1458 | L1415-L1426 HydrophobicContact CD1-CD1 4.43Å; I1420-L1426 HydrophobicContact CD1-CB 4.22Å; I1420-L1426 WeakPolarHBondContact CD1-O 3.44Å; I1420-L1426 HydrophobicContact CG2-CB 3.56Å; D1423-L1426 HydrophobicContact CB-CD1 4.26Å; D1423-L1426 HydrophobicContact CB-CG 4.36Å; D1423-L1426 PolarHBondContact O-N 3.36Å; S1424-L1426 PolarHBondContact O-N 3.26Å; L1426-F1428 PolarHBondContact O-N 2.84Å; L1426-F1429 HydrophobicContact CB-CD2 4.45Å; L1426-F1429 HydrophobicContact CD2-CE2 4.21Å; L1426-F1429 WeakPolarHBondContact O-CD2 3.49Å; L1426-F1429 PolarHBondContact O-N 2.96Å; L1426-V1456 HydrophobicContact CD2-CG1 3.75Å; L1426-V1456 HydrophobicContact CD2-CG2 4.38Å; L1426-M1458 HydrophobicContact CD1-CE 4.21Å; L1426-M1458 HydrophobicContact CD1-SD 4.01Å |
| 1427 | A | 72.7 | Confident | 72.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1429 Q1430 | A1427-F1429 PolarHBondContact O-N 2.99Å; A1427-F1429 VanDerWaalsContact O-N 3.1Å; A1427-Q1430 VanDerWaalsContact O-CB 3.31Å; A1427-Q1430 WeakPolarHBondContact O-CB 3.34Å; A1427-Q1430 PolarHBondContact O-N 3.21Å |
| 1428 | F | 72.5 | Confident | 73.6 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -21.9 | 175.2 | 68.6 | -107.3 | 0 | 0 | 0 | 114.9 | W1022 S1425 L1426 Q1430 H1431 | W1022-F1428 HydrophobicContact CB-CD1 4.39Å; W1022-F1428 AromaticContact CD1-CD2 3.58Å; W1022-F1428 AromaticContact CD1-CG 3.57Å; W1022-F1428 HydrophobicContact CD2-CB 3.78Å; W1022-F1428 HydrophobicContact CD2-CG 4.32Å; W1022-F1428 VanDerWaalsContact CE2-CB 3.5Å; W1022-F1428 HydrophobicContact CE3-CB 4.47Å; W1022-F1428 HydrophobicContact CG-CB 3.93Å; W1022-F1428 HydrophobicContact CG-CD1 4.18Å; W1022-F1428 HydrophobicContact CG-CD2 4.35Å; W1022-F1428 AromaticContact CG-CG 3.92Å; W1022-F1428 HydrophobicContact CG-CG 3.92Å; W1022-F1428 HydrophobicContact CZ2-CB 3.98Å; W1022-F1428 AromaticContact NE1-CD2 3.85Å; W1022-F1428 AromaticContact NE1-CG 3.83Å; S1425-F1428 WeakPolarHBondContact O-CD1 3.45Å; S1425-F1428 WeakPolarHBondContact O-CE1 3.49Å; L1426-F1428 PolarHBondContact O-N 2.84Å; F1428-Q1430 PolarHBondContact O-N 3.04Å; F1428-H1431 PolarHBondContact O-N 3.11Å |
| 1429 | F | 77.7 | Confident | 74.7 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -8.3 | 172.4 | -72.4 | -73.8 | 0 | 0 | 0 | 113.5 | N1398 L1415 I1420 L1426 A1427 F1451 V1456 | N1398-F1429 HydrophobicContact CB-CD1 4.44Å; N1398-F1429 PolarHBondContact ND2-O 3.23Å; L1415-F1429 HydrophobicContact CD1-CD2 4.48Å; L1415-F1429 HydrophobicContact CD1-CE2 4.23Å; L1415-F1429 HydrophobicContact CD2-CD2 4.44Å; I1420-F1429 HydrophobicContact CD1-CB 3.74Å; I1420-F1429 HydrophobicContact CD1-CD2 4.35Å; L1426-F1429 HydrophobicContact CB-CD2 4.45Å; L1426-F1429 HydrophobicContact CD2-CE2 4.21Å; L1426-F1429 WeakPolarHBondContact O-CD2 3.49Å; L1426-F1429 PolarHBondContact O-N 2.96Å; A1427-F1429 PolarHBondContact O-N 2.99Å; A1427-F1429 VanDerWaalsContact O-N 3.1Å; F1429-F1451 HydrophobicContact CE1-CB 4.35Å; F1429-F1451 HydrophobicContact CE1-CD1 4.1Å; F1429-F1451 AromaticContact CE1-CD2 3.83Å; F1429-F1451 HydrophobicContact CE1-CD2 3.83Å; F1429-F1451 HydrophobicContact CE1-CE1 4.3Å; F1429-F1451 HydrophobicContact CE1-CE2 4.02Å; F1429-F1451 AromaticContact CE1-CG 3.85Å; F1429-F1451 HydrophobicContact CE1-CG 3.85Å; F1429-F1451 HydrophobicContact CE1-CZ 4.23Å; F1429-F1451 AromaticContact CZ-CD2 3.63Å; F1429-F1451 HydrophobicContact CZ-CD2 3.63Å; F1429-F1451 AromaticContact CZ-CE2 3.79Å; F1429-F1451 HydrophobicContact CZ-CE2 3.79Å; F1429-F1451 HydrophobicContact CZ-CG 4.12Å; F1429-F1451 HydrophobicContact CZ-CZ 4.4Å; F1429-V1456 HydrophobicContact CE2-CG2 4.01Å; F1429-V1456 HydrophobicContact CZ-CG2 3.99Å |
| 1430 | Q | 72.5 | Confident | 75.9 | Confident | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.6 | -32.2 | 168.5 | -67.1 | 173.4 | -23.9 | 0 | 0 | 111.7 | G1417 A1427 F1428 | G1417-Q1430 WeakPolarHBondContact O-CG 3.13Å; A1427-Q1430 VanDerWaalsContact O-CB 3.31Å; A1427-Q1430 WeakPolarHBondContact O-CB 3.34Å; A1427-Q1430 PolarHBondContact O-N 3.21Å; F1428-Q1430 PolarHBondContact O-N 3.04Å |
| 1431 | H | 69.8 | Low | 77.4 | Confident | 141 Ų | 141 | 50.5 Ų | 50.5 | 65% | 0.653 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -94.3 | -14.9 | -167.6 | -58.1 | -42.8 | 0 | 0 | 0 | 115.4 | F1428 | F1428-H1431 PolarHBondContact O-N 3.11Å |
| 1432 | S | 71 | Confident | 79 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -150 | 140.5 | 172.7 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | K1021 N1398 | K1021-S1432 PolarHBondContact NZ-OG 2.92Å; N1398-S1432 PolarHBondContact ND2-O 3.09Å |
| 1433 | P | 79.4 | Confident | 80.4 | Confident | 94 Ų | 94 | 38.9 Ų | 38.9 | 61% | 0.61 | 22% | 0.223 | S | C | * | . | trans | -60.4 | 147.5 | 166.8 | 28.4 | -34.7 | 0 | 0 | 0 | 110.6 | S1397 | S1397-P1433 WeakPolarHBondContact OG-CB 3.49Š| ||
| 1434 | S | 84.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | trans | -146.9 | 122 | 176.3 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | N1398 N1453 | N1398-S1434 PolarHBondContact N-O 3.2Å; N1398-S1434 WeakPolarHBondContact OD1-CB 3.46Å; N1398-S1434 PolarHBondContact OD1-N 3.18Å; N1398-S1434 PolarHBondContact OD1-O 3.48Å; S1434-N1453 PolarHBondContact OG-ND2 3.17Å | ||
| 1435 | E | 90 | Very high | 82.3 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | trans | -65.4 | 150.3 | -177 | -56.2 | -151.4 | 116.4 | 0 | 0 | 112.4 | Q1381 F1451 E1452 | Q1381-E1435 PolarHBondContact NE2-OE1 2.98Å; E1435-F1451 CarbonylContact O-C 3.59Å; E1435-F1451 WeakPolarHBondContact O-CA 3.42Å; E1435-E1452 HydrophobicContact CB-CB 4.23Å; E1435-E1452 PolarHBondContact O-N 3.44Å | ||
| 1436 | A | 92.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 105.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1381 S1382 S1396 F1400 F1451 | Q1381-A1436 WeakPolarHBondContact CB-O 3.24Å; S1382-A1436 VanDerWaalsContact CB-O 3.23Å; S1382-A1436 WeakPolarHBondContact CB-O 3.48Å; S1382-A1436 PolarHBondContact OG-O 3.11Å; S1396-A1436 VanDerWaalsContact O-CB 3.3Å; S1396-A1436 WeakPolarHBondContact O-CB 3.18Å; F1400-A1436 HydrophobicContact CD2-CB 4.44Å; F1400-A1436 HydrophobicContact CE1-CB 4.18Å; F1400-A1436 HydrophobicContact CE2-CB 3.69Å; F1400-A1436 HydrophobicContact CZ-CB 3.56Å; A1436-F1451 HydrophobicContact CB-CD1 4.22Å; A1436-F1451 HydrophobicContact CB-CE1 4.22Å |
| 1437 | H | 92.1 | Very high | 84.3 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -42.2 | -174 | -67.2 | -71.6 | 0 | 0 | 0 | 114.4 | S1382 A1450 E1452 L1476 V1482 | S1382-H1437 WeakPolarHBondContact CB-O 3.27Å; H1437-A1450 PolarHBondContact N-O 2.79Å; H1437-E1452 WeakPolarHBondContact NE2-CA 3.41Å; H1437-L1476 WeakPolarHBondContact NE2-CD1 3.33Å; H1437-V1482 HydrophobicContact CB-CB 4.16Å; H1437-V1482 HydrophobicContact CB-CG2 3.97Å |
| 1438 | C | 92 | Very high | 85.4 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 162 | 173.4 | 63 | 0 | 0 | 0 | 0 | 112.6 | N1384 F1400 A1450 | N1384-C1438 WeakPolarHBondContact OD1-CA 3.33Å; F1400-C1438 VanDerWaalsContact CZ-O 3.3Å; F1400-C1438 WeakPolarHBondContact CZ-O 3.29Å; C1438-A1450 PolarHBondContact O-N 3.34Å |
| 1439 | A | 92.7 | Very high | 86.4 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1384 C1393 F1400 L1448 L1449 | N1384-A1439 WeakPolarHBondContact CB-O 3.49Å; N1384-A1439 VanDerWaalsContact CG-O 3.26Å; N1384-A1439 PolarHBondContact OD1-N 2.7Å; N1384-A1439 PolarHBondContact OD1-O 3.31Å; C1393-A1439 HydrophobicContact CB-CB 4.13Å; C1393-A1439 WeakPolarHBondContact SG-CB 3.41Å; F1400-A1439 HydrophobicContact CD1-CB 3.96Å; F1400-A1439 HydrophobicContact CE1-CB 3.75Å; F1400-A1439 HydrophobicContact CZ-CB 4.48Å; A1439-L1448 WeakPolarHBondContact CA-O 3.23Å; A1439-L1449 HydrophobicContact CB-CD2 3.86Å |
| 1440 | V | 89.8 | Confident | 87.2 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | L1442 F1447 L1448 F1484 L1489 | V1440-L1442 HydrophobicContact CG1-CD2 3.76Å; V1440-L1442 HydrophobicContact CG1-CG 4.23Å; V1440-F1447 CarbonylContact O-C 3.56Å; V1440-F1447 WeakPolarHBondContact O-CA 3.38Å; V1440-L1448 HydrophobicContact CB-CB 4.42Å; V1440-L1448 PolarHBondContact N-O 3.4Å; V1440-L1448 PolarHBondContact O-N 3.08Å; V1440-F1484 HydrophobicContact CB-CG 4.47Å; V1440-F1484 HydrophobicContact CG1-CD1 3.61Å; V1440-F1484 HydrophobicContact CG1-CD2 3.87Å; V1440-F1484 HydrophobicContact CG1-CE1 3.45Å; V1440-F1484 VanDerWaalsContact CG1-CE1 3.45Å; V1440-F1484 HydrophobicContact CG1-CE2 3.73Å; V1440-F1484 HydrophobicContact CG1-CG 3.81Å; V1440-F1484 HydrophobicContact CG1-CZ 3.51Å; V1440-F1484 HydrophobicContact CG2-CB 3.84Å; V1440-F1484 HydrophobicContact CG2-CD1 4.09Å; V1440-F1484 HydrophobicContact CG2-CD2 4.14Å; V1440-F1484 HydrophobicContact CG2-CG 3.74Å; V1440-L1489 HydrophobicContact CG2-CD1 4.41Å |
| 1441 | Q | 91.4 | Very high | 88.2 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.1 | 170.8 | -173.5 | 179.9 | -1.4 | 0 | 0 | 110.3 | V1386 G1443 F1447 | V1386-Q1441 HydrophobicContact CG1-CB 4.37Å; Q1441-G1443 WeakPolarHBondContact CG-O 3.37Å; Q1441-G1443 PolarHBondContact NE2-O 3.39Å; Q1441-F1447 HydrophobicContact CB-CD1 3.9Å; Q1441-F1447 HydrophobicContact CB-CE1 3.88Å; Q1441-F1447 HydrophobicContact CG-CD1 4.07Å; Q1441-F1447 HydrophobicContact CG-CE1 3.71Å; Q1441-F1447 HydrophobicContact CG-CZ 4.42Å |
| 1442 | L | 87.9 | Confident | 89.1 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -16 | -178.2 | -63 | 173.9 | 0 | 0 | 0 | 113.6 | V1440 E1446 L1448 Y1457 F1484 A1502 V1503 | V1440-L1442 HydrophobicContact CG1-CD2 3.76Å; V1440-L1442 HydrophobicContact CG1-CG 4.23Å; L1442-E1446 PolarHBondContact N-O 3.34Å; L1442-L1448 HydrophobicContact CD1-CB 3.86Å; L1442-L1448 HydrophobicContact CD1-CD2 4.47Å; L1442-Y1457 HydrophobicContact CD1-CD1 4.03Å; L1442-Y1457 HydrophobicContact CD1-CE1 3.51Å; L1442-F1484 HydrophobicContact CD2-CE2 4.31Å; L1442-F1484 HydrophobicContact CD2-CZ 4.05Å; L1442-A1502 HydrophobicContact CD1-CB 4.14Å; L1442-A1502 WeakPolarHBondContact CD1-O 3.48Å; L1442-A1502 HydrophobicContact CD2-CB 3.76Å; L1442-V1503 HydrophobicContact CD2-CG2 4.35Å |
| 1443 | G | 84.2 | Confident | 90 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | -171.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1441 D1445 | Q1441-G1443 WeakPolarHBondContact CG-O 3.37Å; Q1441-G1443 PolarHBondContact NE2-O 3.39Å; G1443-D1445 PolarHBondContact O-N 3.15Å; G1443-D1445 VanDerWaalsContact O-N 3.12Å |
| 1444 | N | 80.7 | Confident | 90.4 | Very high | 148 Ų | 148 | 26.3 Ų | 26.3 | 79% | 0.791 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.9 | -173.2 | -66.3 | -5.5 | 0 | 0 | 0 | 114.1 | ||
| 1445 | D | 89.3 | Confident | 90.8 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -146.2 | 35.6 | 173.8 | -149.4 | 55.3 | 0 | 0 | 0 | 113.4 | R1387 G1443 N1459 S1460 | R1387-D1445 IonicContact CZ-OD1 2.67Å; R1387-D1445 IonicContact NE-OD1 2.7Å; R1387-D1445 IonicContact NH2-OD1 3.12Å; R1387-D1445 PolarHBondContact NH2-OD1 2.82Å; G1443-D1445 PolarHBondContact O-N 3.15Å; G1443-D1445 VanDerWaalsContact O-N 3.12Å; D1445-N1459 VanDerWaalsContact O-CA 3.27Å; D1445-N1459 WeakPolarHBondContact O-CA 3.37Å; D1445-N1459 WeakPolarHBondContact O-CB 3.47Å; D1445-S1460 WeakPolarHBondContact OD1-CB 3.45Å; D1445-S1460 PolarHBondContact OD1-OG 3.06Å; D1445-S1460 VanDerWaalsContact OD2-CB 3.26Å; D1445-S1460 WeakPolarHBondContact OD2-CB 3.27Å; D1445-S1460 PolarHBondContact OD2-N 3.09Å; D1445-S1460 PolarHBondContact OD2-OG 3.44Å |
| 1446 | E | 92.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 16% | 0.164 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128 | 170.1 | 179.5 | 171.4 | -119.6 | 0 | 0 | 110.4 | L1442 Y1457 T1465 R1466 | L1442-E1446 PolarHBondContact N-O 3.34Å; E1446-Y1457 HydrophobicContact CG-CD1 4.37Å; E1446-T1465 HydrophobicContact CG-CG2 4.45Å; E1446-T1465 WeakPolarHBondContact OE1-CB 3.15Å; E1446-T1465 PolarHBondContact OE1-OG1 2.93Å; E1446-R1466 WeakPolarHBondContact OE1-CG 3.25Å; E1446-R1466 IonicContact OE1-CZ 2.74Å; E1446-R1466 IonicContact OE1-NE 2.88Å; E1446-R1466 PolarHBondContact OE1-NE 2.97Å; E1446-R1466 IonicContact OE1-NH2 3.72Å; E1446-R1466 IonicContact OE2-CZ 3.26Å; E1446-R1466 IonicContact OE2-NE 2.73Å; E1446-R1466 PolarHBondContact OE2-NE 3.01Å; E1446-R1466 IonicContact OE2-NH2 3.94Å; E1446-R1466 PolarHBondContact OE2-NH2 2.88Å |
| 1447 | F | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.3 | -179.4 | -53.8 | -85.7 | 0 | 0 | 0 | 110.3 | V1386 M1402 L1414 V1440 Q1441 L1449 Y1457 M1458 | V1386-F1447 HydrophobicContact CB-CE1 4.1Å; V1386-F1447 HydrophobicContact CG1-CD1 4.49Å; V1386-F1447 HydrophobicContact CG1-CE1 4.38Å; V1386-F1447 HydrophobicContact CG2-CE1 4.29Å; M1402-F1447 HydrophobicContact CE-CE1 4.37Å; M1402-F1447 HydrophobicContact CE-CZ 4.03Å; M1402-F1447 HydrophobicContact SD-CD1 4.42Å; M1402-F1447 HydrophobicContact SD-CE1 3.84Å; M1402-F1447 HydrophobicContact SD-CE2 4.01Å; M1402-F1447 HydrophobicContact SD-CZ 3.62Å; L1414-F1447 HydrophobicContact CD1-CB 4.25Å; L1414-F1447 HydrophobicContact CD1-CD2 4.31Å; L1414-F1447 HydrophobicContact CD1-CG 4.17Å; L1414-F1447 HydrophobicContact CD2-CD2 4.42Å; V1440-F1447 CarbonylContact O-C 3.56Å; V1440-F1447 WeakPolarHBondContact O-CA 3.38Å; Q1441-F1447 HydrophobicContact CB-CD1 3.9Å; Q1441-F1447 HydrophobicContact CB-CE1 3.88Å; Q1441-F1447 HydrophobicContact CG-CD1 4.07Å; Q1441-F1447 HydrophobicContact CG-CE1 3.71Å; Q1441-F1447 HydrophobicContact CG-CZ 4.42Å; F1447-L1449 HydrophobicContact CB-CD2 4.2Å; F1447-Y1457 WeakPolarHBondContact O-CA 3.24Å; F1447-M1458 PolarHBondContact N-O 3.23Å; F1447-M1458 PolarHBondContact O-N 3.26Å |
| 1448 | L | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.9 | 167.8 | 174.1 | 57.8 | 0 | 0 | 0 | 109 | A1439 V1440 L1442 Y1457 L1470 L1489 A1502 | A1439-L1448 WeakPolarHBondContact CA-O 3.23Å; V1440-L1448 HydrophobicContact CB-CB 4.42Å; V1440-L1448 PolarHBondContact N-O 3.4Å; V1440-L1448 PolarHBondContact O-N 3.08Å; L1442-L1448 HydrophobicContact CD1-CB 3.86Å; L1442-L1448 HydrophobicContact CD1-CD2 4.47Å; L1448-Y1457 HydrophobicContact CB-CD1 4.11Å; L1448-Y1457 HydrophobicContact CB-CE1 4.09Å; L1448-Y1457 HydrophobicContact CD1-CD1 4.16Å; L1448-Y1457 HydrophobicContact CD1-CD2 4.09Å; L1448-Y1457 HydrophobicContact CD1-CE1 4.05Å; L1448-Y1457 HydrophobicContact CD1-CE2 3.98Å; L1448-Y1457 HydrophobicContact CD1-CG 4.18Å; L1448-Y1457 HydrophobicContact CD2-CE1 4.23Å; L1448-Y1457 HydrophobicContact CG-CE1 4.35Å; L1448-L1470 HydrophobicContact CD1-CD1 4.24Å; L1448-L1470 HydrophobicContact CD2-CD1 3.9Å; L1448-L1489 HydrophobicContact CD2-CD2 4.18Å; L1448-A1502 HydrophobicContact CD2-CB 3.95Å |
| 1449 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 106.6 | 179.6 | -53.8 | -176 | 0 | 0 | 0 | 108.9 | F1400 L1414 L1415 A1439 F1447 F1451 G1455 V1456 M1458 | F1400-L1449 HydrophobicContact CB-CD1 4.03Å; F1400-L1449 HydrophobicContact CB-CD2 4.04Å; F1400-L1449 HydrophobicContact CD1-CD2 4.23Å; F1400-L1449 HydrophobicContact CD2-CB 3.77Å; F1400-L1449 HydrophobicContact CD2-CD1 3.95Å; F1400-L1449 HydrophobicContact CD2-CD2 3.98Å; F1400-L1449 HydrophobicContact CD2-CG 4.11Å; F1400-L1449 HydrophobicContact CE2-CB 3.79Å; F1400-L1449 HydrophobicContact CE2-CD2 4.45Å; F1400-L1449 HydrophobicContact CG-CB 4.5Å; F1400-L1449 HydrophobicContact CG-CD1 4.25Å; F1400-L1449 HydrophobicContact CG-CD2 3.85Å; F1400-L1449 HydrophobicContact CG-CG 4.42Å; L1414-L1449 HydrophobicContact CB-CD1 4.17Å; L1414-L1449 HydrophobicContact CD1-CD2 3.91Å; L1415-L1449 HydrophobicContact CB-CD1 4.01Å; A1439-L1449 HydrophobicContact CB-CD2 3.86Å; F1447-L1449 HydrophobicContact CB-CD2 4.2Å; L1449-F1451 HydrophobicContact CB-CD2 4.45Å; L1449-F1451 HydrophobicContact CB-CE2 3.97Å; L1449-G1455 CarbonylContact O-C 3.57Å; L1449-G1455 WeakPolarHBondContact O-CA 3.48Å; L1449-V1456 PolarHBondContact N-O 2.77Å; L1449-V1456 PolarHBondContact O-N 3.12Å; L1449-M1458 HydrophobicContact CD1-CB 4.01Å; L1449-M1458 HydrophobicContact CD1-CG 3.66Å; L1449-M1458 HydrophobicContact CG-CB 4.47Å; L1449-M1458 HydrophobicContact CG-CG 4.34Å |
| 1450 | A | 94.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | H1437 C1438 W1472 V1482 | H1437-A1450 PolarHBondContact N-O 2.79Å; C1438-A1450 PolarHBondContact O-N 3.34Å; A1450-W1472 HydrophobicContact CB-CZ2 4.24Å; A1450-V1482 HydrophobicContact CB-CG1 4.22Å |
| 1451 | F | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 165.3 | 171.8 | -65.8 | -85.5 | 0 | 0 | 0 | 111.8 | F1400 L1415 F1429 E1435 A1436 L1449 N1453 C1454 V1456 W1472 | F1400-F1451 AromaticContact CD2-CE1 3.84Å; F1400-F1451 HydrophobicContact CD2-CE1 3.84Å; F1400-F1451 AromaticContact CD2-CE2 3.9Å; F1400-F1451 HydrophobicContact CD2-CE2 3.9Å; F1400-F1451 AromaticContact CD2-CZ 3.4Å; F1400-F1451 HydrophobicContact CD2-CZ 3.4Å; F1400-F1451 VanDerWaalsContact CD2-CZ 3.4Å; F1400-F1451 HydrophobicContact CE2-CD1 4.15Å; F1400-F1451 HydrophobicContact CE2-CD2 4.29Å; F1400-F1451 AromaticContact CE2-CE1 3.72Å; F1400-F1451 HydrophobicContact CE2-CE1 3.72Å; F1400-F1451 AromaticContact CE2-CE2 3.88Å; F1400-F1451 HydrophobicContact CE2-CE2 3.88Å; F1400-F1451 HydrophobicContact CE2-CG 4.43Å; F1400-F1451 AromaticContact CE2-CZ 3.6Å; F1400-F1451 HydrophobicContact CE2-CZ 3.6Å; L1415-F1451 HydrophobicContact CD1-CE2 4.31Å; L1415-F1451 HydrophobicContact CD2-CZ 4.06Å; F1429-F1451 HydrophobicContact CE1-CB 4.35Å; F1429-F1451 HydrophobicContact CE1-CD1 4.1Å; F1429-F1451 AromaticContact CE1-CD2 3.83Å; F1429-F1451 HydrophobicContact CE1-CD2 3.83Å; F1429-F1451 HydrophobicContact CE1-CE1 4.3Å; F1429-F1451 HydrophobicContact CE1-CE2 4.02Å; F1429-F1451 AromaticContact CE1-CG 3.85Å; F1429-F1451 HydrophobicContact CE1-CG 3.85Å; F1429-F1451 HydrophobicContact CE1-CZ 4.23Å; F1429-F1451 AromaticContact CZ-CD2 3.63Å; F1429-F1451 HydrophobicContact CZ-CD2 3.63Å; F1429-F1451 AromaticContact CZ-CE2 3.79Å; F1429-F1451 HydrophobicContact CZ-CE2 3.79Å; F1429-F1451 HydrophobicContact CZ-CG 4.12Å; F1429-F1451 HydrophobicContact CZ-CZ 4.4Å; E1435-F1451 CarbonylContact O-C 3.59Å; E1435-F1451 WeakPolarHBondContact O-CA 3.42Å; A1436-F1451 HydrophobicContact CB-CD1 4.22Å; A1436-F1451 HydrophobicContact CB-CE1 4.22Å; L1449-F1451 HydrophobicContact CB-CD2 4.45Å; L1449-F1451 HydrophobicContact CB-CE2 3.97Å; F1451-N1453 PolarHBondContact O-N 3.49Å; F1451-N1453 VanDerWaalsContact O-N 3.09Å; F1451-C1454 WeakPolarHBondContact CA-O 3.25Å; F1451-C1454 WeakPolarHBondContact CB-O 3.41Å; F1451-C1454 PolarHBondContact N-O 3.45Å; F1451-C1454 PolarHBondContact O-N 3.31Å; F1451-V1456 HydrophobicContact CD2-CG2 4.49Å; F1451-W1472 PolarHBondContact O-NE1 3.07Å |
| 1452 | E | 90.5 | Very high | 90.2 | Very high | 70 Ų | 70 | 31.6 Ų | 31.6 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -47 | -37.7 | 177.2 | -175.3 | -151.1 | -168.5 | 0 | 0 | 113.9 | E1435 H1437 L1476 | E1435-E1452 HydrophobicContact CB-CB 4.23Å; E1435-E1452 PolarHBondContact O-N 3.44Å; H1437-E1452 WeakPolarHBondContact NE2-CA 3.41Å; E1452-L1476 VanDerWaalsContact O-CD1 3.27Å; E1452-L1476 WeakPolarHBondContact O-CD1 3.33Å |
| 1453 | N | 88.1 | Confident | 90.1 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -103.7 | -25 | -172.9 | -65.1 | -89.1 | 0 | 0 | 0 | 114 | K1021 S1434 F1451 | K1021-N1453 WeakPolarHBondContact CD-OD1 3.25Å; K1021-N1453 VanDerWaalsContact CE-OD1 3.24Å; K1021-N1453 WeakPolarHBondContact CE-OD1 3.45Å; K1021-N1453 PolarHBondContact NZ-ND2 3.49Å; S1434-N1453 PolarHBondContact OG-ND2 3.17Å; F1451-N1453 PolarHBondContact O-N 3.49Å; F1451-N1453 VanDerWaalsContact O-N 3.09Å |
| 1454 | C | 89.5 | Confident | 90.2 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 163.6 | -179.5 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | F1451 N1469 L1470 M1471 W1472 | F1451-C1454 WeakPolarHBondContact CA-O 3.25Å; F1451-C1454 WeakPolarHBondContact CB-O 3.41Å; F1451-C1454 PolarHBondContact N-O 3.45Å; F1451-C1454 PolarHBondContact O-N 3.31Å; C1454-N1469 HydrophobicContact CB-CB 4.31Å; C1454-L1470 CarbonylContact C-O 3.57Å; C1454-L1470 WeakPolarHBondContact CA-O 3.1Å; C1454-L1470 VanDerWaalsContact CB-O 3.27Å; C1454-L1470 WeakPolarHBondContact CB-O 3.49Å; C1454-M1471 HydrophobicContact CB-CE 3.9Å; C1454-M1471 HydrophobicContact CB-SD 3.61Å; C1454-W1472 VanDerWaalsContact C-CZ2 3.49Å |
| 1455 | G | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1449 N1469 L1470 W1472 | L1449-G1455 CarbonylContact O-C 3.57Å; L1449-G1455 WeakPolarHBondContact O-CA 3.48Å; G1455-N1469 CarbonylContact O-C 3.51Å; G1455-N1469 WeakPolarHBondContact O-CA 3.37Å; G1455-L1470 PolarHBondContact N-O 2.85Å; G1455-L1470 PolarHBondContact O-N 3.02Å; G1455-W1472 VanDerWaalsContact N-CZ2 3.32Å |
| 1456 | V | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.9 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | L1426 F1429 L1449 F1451 M1458 K1464 | L1426-V1456 HydrophobicContact CD2-CG1 3.75Å; L1426-V1456 HydrophobicContact CD2-CG2 4.38Å; F1429-V1456 HydrophobicContact CE2-CG2 4.01Å; F1429-V1456 HydrophobicContact CZ-CG2 3.99Å; L1449-V1456 PolarHBondContact N-O 2.77Å; L1449-V1456 PolarHBondContact O-N 3.12Å; F1451-V1456 HydrophobicContact CD2-CG2 4.49Å; V1456-M1458 HydrophobicContact CG1-CG 3.99Å; V1456-M1458 HydrophobicContact CG1-SD 3.9Å; V1456-K1464 HydrophobicContact CG1-CG 4.46Å |
| 1457 | Y | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 117.1 | 177.7 | -64.9 | -95.5 | 0 | 0 | 0 | 110.9 | L1442 E1446 F1447 L1448 K1464 T1465 R1466 L1470 A1502 S1505 | L1442-Y1457 HydrophobicContact CD1-CD1 4.03Å; L1442-Y1457 HydrophobicContact CD1-CE1 3.51Å; E1446-Y1457 HydrophobicContact CG-CD1 4.37Å; F1447-Y1457 WeakPolarHBondContact O-CA 3.24Å; L1448-Y1457 HydrophobicContact CB-CD1 4.11Å; L1448-Y1457 HydrophobicContact CB-CE1 4.09Å; L1448-Y1457 HydrophobicContact CD1-CD1 4.16Å; L1448-Y1457 HydrophobicContact CD1-CD2 4.09Å; L1448-Y1457 HydrophobicContact CD1-CE1 4.05Å; L1448-Y1457 HydrophobicContact CD1-CE2 3.98Å; L1448-Y1457 HydrophobicContact CD1-CG 4.18Å; L1448-Y1457 HydrophobicContact CD2-CE1 4.23Å; L1448-Y1457 HydrophobicContact CG-CE1 4.35Å; Y1457-K1464 CarbonylContact O-C 3.37Å; Y1457-K1464 VanDerWaalsContact O-CA 3.31Å; Y1457-K1464 WeakPolarHBondContact O-CA 3.05Å; Y1457-K1464 WeakPolarHBondContact O-CG 3.15Å; Y1457-T1465 VanDerWaalsContact CB-OG1 3.32Å; Y1457-T1465 WeakPolarHBondContact CB-OG1 3.44Å; Y1457-T1465 PolarHBondContact O-N 2.91Å; Y1457-T1465 PolarHBondContact O-OG1 2.88Å; Y1457-R1466 HydrophobicContact CD1-CG 4.27Å; Y1457-R1466 HydrophobicContact CD2-CB 4.1Å; Y1457-R1466 HydrophobicContact CD2-CG 4.16Å; Y1457-R1466 HydrophobicContact CG-CB 4.2Å; Y1457-R1466 HydrophobicContact CG-CG 3.86Å; Y1457-L1470 HydrophobicContact CE2-CD1 4.33Å; Y1457-L1470 HydrophobicContact CE2-CD2 4.5Å; Y1457-L1470 HydrophobicContact CE2-CG 3.92Å; Y1457-A1502 WeakPolarHBondContact CE1-O 3.4Å; Y1457-A1502 PolarHBondContact OH-O 2.89Å; Y1457-S1505 WeakPolarHBondContact CE2-OG 3.47Å; Y1457-S1505 PolarHBondContact OH-OG 3.38Å |
| 1458 | M | 91.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152 | -175 | -62.2 | -65 | -77.4 | 0 | 0 | 111.3 | L1414 L1415 L1426 F1447 L1449 V1456 R1462 K1464 | L1414-M1458 WeakPolarHBondContact O-CE 3.39Å; L1415-M1458 HydrophobicContact CD1-CE 4.33Å; L1415-M1458 HydrophobicContact CD1-CG 4.46Å; L1415-M1458 HydrophobicContact CD1-SD 4.47Å; L1426-M1458 HydrophobicContact CD1-CE 4.21Å; L1426-M1458 HydrophobicContact CD1-SD 4.01Å; F1447-M1458 PolarHBondContact N-O 3.23Å; F1447-M1458 PolarHBondContact O-N 3.26Å; L1449-M1458 HydrophobicContact CD1-CB 4.01Å; L1449-M1458 HydrophobicContact CD1-CG 3.66Å; L1449-M1458 HydrophobicContact CG-CB 4.47Å; L1449-M1458 HydrophobicContact CG-CG 4.34Å; V1456-M1458 HydrophobicContact CG1-CG 3.99Å; V1456-M1458 HydrophobicContact CG1-SD 3.9Å; M1458-R1462 VanDerWaalsContact CE-O 3.27Å; M1458-R1462 WeakPolarHBondContact CE-O 3.38Å; M1458-K1464 HydrophobicContact SD-CB 4.14Å; M1458-K1464 HydrophobicContact SD-CG 4.27Å |
| 1459 | N | 90.6 | Very high | 88.6 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | trans | -103.5 | 173.2 | 166 | 67 | 29.4 | 0 | 0 | 0 | 112.1 | D1445 N1461 R1462 K1463 T1465 | D1445-N1459 VanDerWaalsContact O-CA 3.27Å; D1445-N1459 WeakPolarHBondContact O-CA 3.37Å; D1445-N1459 WeakPolarHBondContact O-CB 3.47Å; N1459-N1461 PolarHBondContact O-N 3.39Å; N1459-N1461 VanDerWaalsContact O-N 3.15Å; N1459-N1461 WeakPolarHBondContact OD1-CA 3.44Å; N1459-N1461 WeakPolarHBondContact OD1-CB 3.4Å; N1459-N1461 PolarHBondContact OD1-N 2.94Å; N1459-R1462 PolarHBondContact O-N 2.91Å; N1459-R1462 VanDerWaalsContact O-N 3.08Å; N1459-R1462 PolarHBondContact OD1-N 2.97Å; N1459-K1463 PolarHBondContact N-O 2.93Å; N1459-K1463 PolarHBondContact OD1-N 2.92Å; N1459-K1463 PolarHBondContact OD1-O 3.31Å; N1459-T1465 HydrophobicContact CB-CG2 3.68Å | ||
| 1460 | S | 88.5 | Confident | 88.4 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2.5 | -177.3 | 80.2 | 0 | 0 | 0 | 0 | 114.6 | R1387 Q1412 D1445 R1462 | R1387-S1460 PolarHBondContact NH2-OG 3.21Å; Q1412-S1460 PolarHBondContact NE2-O 3.46Å; Q1412-S1460 PolarHBondContact NE2-OG 3.48Å; Q1412-S1460 VanDerWaalsContact NE2-OG 3.13Å; D1445-S1460 WeakPolarHBondContact OD1-CB 3.45Å; D1445-S1460 PolarHBondContact OD1-OG 3.06Å; D1445-S1460 VanDerWaalsContact OD2-CB 3.26Å; D1445-S1460 WeakPolarHBondContact OD2-CB 3.27Å; D1445-S1460 PolarHBondContact OD2-N 3.09Å; D1445-S1460 PolarHBondContact OD2-OG 3.44Å; S1460-R1462 VanDerWaalsContact C-N 3.35Å |
| 1461 | N | 86.6 | Confident | 88.2 | Confident | 116 Ų | 116 | 41.4 Ų | 41.4 | 62% | 0.62 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.5 | 169.9 | -58.1 | -75.7 | 0 | 0 | 0 | 112.5 | N1459 K1463 | N1459-N1461 PolarHBondContact O-N 3.39Å; N1459-N1461 VanDerWaalsContact O-N 3.15Å; N1459-N1461 WeakPolarHBondContact OD1-CA 3.44Å; N1459-N1461 WeakPolarHBondContact OD1-CB 3.4Å; N1459-N1461 PolarHBondContact OD1-N 2.94Å; N1461-K1463 PolarHBondContact O-N 3.25Å |
| 1462 | R | 85.6 | Confident | 88.2 | Confident | 126 Ų | 126 | 41.4 Ų | 41.4 | 48% | 0.475 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 59.8 | 20.2 | -177.3 | -53.2 | -177.9 | -167.8 | 158.6 | 9.3 | 114.8 | V1413 M1458 N1459 S1460 | V1413-R1462 WeakPolarHBondContact O-CG 3.01Å; V1413-R1462 PolarHBondContact O-NE 3.32Å; M1458-R1462 VanDerWaalsContact CE-O 3.27Å; M1458-R1462 WeakPolarHBondContact CE-O 3.38Å; N1459-R1462 PolarHBondContact O-N 2.91Å; N1459-R1462 VanDerWaalsContact O-N 3.08Å; N1459-R1462 PolarHBondContact OD1-N 2.97Å; S1460-R1462 VanDerWaalsContact C-N 3.35Å |
| 1463 | K | 84.9 | Confident | 88.2 | Confident | 146 Ų | 146 | 38.2 Ų | 38.2 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | trans | -97.7 | 138.3 | 174.3 | -63 | -172.7 | 178.5 | -174.1 | 0 | 109.8 | N1459 N1461 T1465 | N1459-K1463 PolarHBondContact N-O 2.93Å; N1459-K1463 PolarHBondContact OD1-N 2.92Å; N1459-K1463 PolarHBondContact OD1-O 3.31Å; N1461-K1463 PolarHBondContact O-N 3.25Å; K1463-T1465 PolarHBondContact O-N 3.36Å | ||
| 1464 | K | 86.5 | Confident | 88.3 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 16% | 0.161 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 130.3 | 170.3 | -154.2 | -174 | -173.8 | 177.9 | 0 | 109.3 | D1423 S1425 V1456 Y1457 M1458 R1466 P1467 N1469 | D1423-K1464 WeakPolarHBondContact OD2-CD 3.47Å; S1425-K1464 PolarHBondContact OG-NZ 2.73Å; S1425-K1464 VanDerWaalsContact OG-NZ 3.07Å; V1456-K1464 HydrophobicContact CG1-CG 4.46Å; Y1457-K1464 CarbonylContact O-C 3.37Å; Y1457-K1464 VanDerWaalsContact O-CA 3.31Å; Y1457-K1464 WeakPolarHBondContact O-CA 3.05Å; Y1457-K1464 WeakPolarHBondContact O-CG 3.15Å; M1458-K1464 HydrophobicContact SD-CB 4.14Å; M1458-K1464 HydrophobicContact SD-CG 4.27Å; K1464-R1466 VanDerWaalsContact CD-O 3.25Å; K1464-R1466 WeakPolarHBondContact CD-O 3.07Å; K1464-R1466 WeakPolarHBondContact CE-O 3.41Å; K1464-R1466 VanDerWaalsContact CG-O 3.29Å; K1464-R1466 WeakPolarHBondContact CG-O 3.1Å; K1464-P1467 WeakPolarHBondContact CE-O 3.4Å; K1464-P1467 PolarHBondContact NZ-O 3.49Å; K1464-N1469 WeakPolarHBondContact CE-OD1 3.34Å; K1464-N1469 PolarHBondContact NZ-OD1 3.25Å |
| 1465 | T | 89.2 | Confident | 88.4 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -93.6 | -17.8 | -179.4 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | E1446 Y1457 N1459 K1463 | E1446-T1465 HydrophobicContact CG-CG2 4.45Å; E1446-T1465 WeakPolarHBondContact OE1-CB 3.15Å; E1446-T1465 PolarHBondContact OE1-OG1 2.93Å; Y1457-T1465 VanDerWaalsContact CB-OG1 3.32Å; Y1457-T1465 WeakPolarHBondContact CB-OG1 3.44Å; Y1457-T1465 PolarHBondContact O-N 2.91Å; Y1457-T1465 PolarHBondContact O-OG1 2.88Å; N1459-T1465 HydrophobicContact CB-CG2 3.68Å; K1463-T1465 PolarHBondContact O-N 3.36Å |
| 1466 | R | 87.4 | Confident | 88.3 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -133.6 | 144.7 | -179.2 | -52.9 | -170.1 | -172.5 | -153.5 | -4.9 | 110.7 | E1446 Y1457 K1464 V1503 S1505 | E1446-R1466 WeakPolarHBondContact OE1-CG 3.25Å; E1446-R1466 IonicContact OE1-CZ 2.74Å; E1446-R1466 IonicContact OE1-NE 2.88Å; E1446-R1466 PolarHBondContact OE1-NE 2.97Å; E1446-R1466 IonicContact OE1-NH2 3.72Å; E1446-R1466 IonicContact OE2-CZ 3.26Å; E1446-R1466 IonicContact OE2-NE 2.73Å; E1446-R1466 PolarHBondContact OE2-NE 3.01Å; E1446-R1466 IonicContact OE2-NH2 3.94Å; E1446-R1466 PolarHBondContact OE2-NH2 2.88Å; Y1457-R1466 HydrophobicContact CD1-CG 4.27Å; Y1457-R1466 HydrophobicContact CD2-CB 4.1Å; Y1457-R1466 HydrophobicContact CD2-CG 4.16Å; Y1457-R1466 HydrophobicContact CG-CB 4.2Å; Y1457-R1466 HydrophobicContact CG-CG 3.86Å; K1464-R1466 VanDerWaalsContact CD-O 3.25Å; K1464-R1466 WeakPolarHBondContact CD-O 3.07Å; K1464-R1466 WeakPolarHBondContact CE-O 3.41Å; K1464-R1466 VanDerWaalsContact CG-O 3.29Å; K1464-R1466 WeakPolarHBondContact CG-O 3.1Å; R1466-V1503 PolarHBondContact NH1-O 2.94Å; R1466-V1503 PolarHBondContact NH2-O 3.43Å; R1466-S1505 PolarHBondContact NH1-OG 3.16Å |
| 1467 | P | 76.8 | Confident | 88.2 | Confident | 90 Ų | 90 | 42.9 Ų | 42.9 | 58% | 0.584 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -69.4 | -42.5 | -175.4 | 26.3 | -33.7 | 0 | 0 | 0 | 112.9 | K1464 | K1464-P1467 WeakPolarHBondContact CE-O 3.4Å; K1464-P1467 PolarHBondContact NZ-O 3.49Å |
| 1468 | D | 79.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -86.3 | 149.3 | 179.7 | -68 | -43.8 | 0 | 0 | 0 | 112.5 | H1036 R1037 | H1036-D1468 IonicContact CD2-OD1 2.71Å; R1037-D1468 WeakPolarHBondContact CB-OD2 3.4Å; R1037-D1468 WeakPolarHBondContact CD-OD2 3.4Å; R1037-D1468 PolarHBondContact N-OD1 3.11Å |
| 1469 | N | 86.1 | Confident | 87 | Confident | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | trans | -93.7 | 149.5 | 166 | -59.2 | -9.7 | 0 | 0 | 0 | 109.1 | C1454 G1455 K1464 M1471 | C1454-N1469 HydrophobicContact CB-CB 4.31Å; G1455-N1469 CarbonylContact O-C 3.51Å; G1455-N1469 WeakPolarHBondContact O-CA 3.37Å; K1464-N1469 WeakPolarHBondContact CE-OD1 3.34Å; K1464-N1469 PolarHBondContact NZ-OD1 3.25Å; N1469-M1471 HydrophobicContact CB-SD 4Å; N1469-M1471 PolarHBondContact O-N 3.31Å | ||
| 1470 | L | 89.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 111.8 | 166.8 | -69.2 | -177.8 | 0 | 0 | 0 | 109.3 | L1448 C1454 G1455 Y1457 W1472 L1489 F1500 S1505 | L1448-L1470 HydrophobicContact CD1-CD1 4.24Å; L1448-L1470 HydrophobicContact CD2-CD1 3.9Å; C1454-L1470 CarbonylContact C-O 3.57Å; C1454-L1470 WeakPolarHBondContact CA-O 3.1Å; C1454-L1470 VanDerWaalsContact CB-O 3.27Å; C1454-L1470 WeakPolarHBondContact CB-O 3.49Å; G1455-L1470 PolarHBondContact N-O 2.85Å; G1455-L1470 PolarHBondContact O-N 3.02Å; Y1457-L1470 HydrophobicContact CE2-CD1 4.33Å; Y1457-L1470 HydrophobicContact CE2-CD2 4.5Å; Y1457-L1470 HydrophobicContact CE2-CG 3.92Å; L1470-W1472 HydrophobicContact CB-CE3 4.43Å; L1470-W1472 HydrophobicContact CB-CH2 4.04Å; L1470-W1472 HydrophobicContact CB-CZ3 3.68Å; L1470-W1472 HydrophobicContact CD1-CH2 4.41Å; L1470-W1472 HydrophobicContact CD1-CZ3 4.24Å; L1470-L1489 HydrophobicContact CD1-CD2 4.39Å; L1470-F1500 HydrophobicContact CD1-CB 4.45Å; L1470-F1500 HydrophobicContact CD1-CG 4.44Å; L1470-F1500 HydrophobicContact CD2-CD1 3.86Å; L1470-F1500 HydrophobicContact CD2-CE1 4.17Å; L1470-S1505 WeakPolarHBondContact CD2-O 3.37Å |
| 1471 | M | 90.4 | Very high | 86.2 | Confident | 37 Ų | 37 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.8 | 177.1 | -57.6 | -49.7 | -58.2 | 0 | 0 | 110.7 | L1018 K1021 C1454 N1469 | L1018-M1471 VanDerWaalsContact O-CB 3.28Å; L1018-M1471 WeakPolarHBondContact O-CB 3.49Å; K1021-M1471 WeakPolarHBondContact O-CE 3.15Å; C1454-M1471 HydrophobicContact CB-CE 3.9Å; C1454-M1471 HydrophobicContact CB-SD 3.61Å; N1469-M1471 HydrophobicContact CB-SD 4Å; N1469-M1471 PolarHBondContact O-N 3.31Å |
| 1472 | W | 92.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -76 | 118.8 | 176.5 | -44.6 | 140.7 | 0 | 0 | 0 | 109.8 | G1019 Q1020 A1450 F1451 C1454 G1455 L1470 A1474 L1476 L1489 V1491 F1500 | G1019-W1472 WeakPolarHBondContact CA-O 3.1Å; Q1020-W1472 PolarHBondContact NE2-O 2.99Å; A1450-W1472 HydrophobicContact CB-CZ2 4.24Å; F1451-W1472 PolarHBondContact O-NE1 3.07Å; C1454-W1472 VanDerWaalsContact C-CZ2 3.49Å; G1455-W1472 VanDerWaalsContact N-CZ2 3.32Å; L1470-W1472 HydrophobicContact CB-CE3 4.43Å; L1470-W1472 HydrophobicContact CB-CH2 4.04Å; L1470-W1472 HydrophobicContact CB-CZ3 3.68Å; L1470-W1472 HydrophobicContact CD1-CH2 4.41Å; L1470-W1472 HydrophobicContact CD1-CZ3 4.24Å; W1472-A1474 PolarHBondContact O-N 2.81Å; W1472-L1476 HydrophobicContact CB-CD2 4.26Å; W1472-L1476 HydrophobicContact CG-CD2 3.99Å; W1472-L1476 HydrophobicContact CG-CG 4.48Å; W1472-L1489 HydrophobicContact CH2-CD2 3.72Å; W1472-L1489 HydrophobicContact CZ3-CD2 4.05Å; W1472-V1491 HydrophobicContact CD2-CG1 4Å; W1472-V1491 HydrophobicContact CE3-CG1 3.99Å; W1472-V1491 HydrophobicContact CE3-CG2 4.06Å; W1472-V1491 HydrophobicContact CG-CG1 4.26Å; W1472-V1491 HydrophobicContact CH2-CG2 4.28Å; W1472-V1491 HydrophobicContact CZ3-CG2 3.83Å; W1472-F1500 HydrophobicContact CE3-CD2 4.45Å; W1472-F1500 AromaticContact CE3-CE2 3.7Å; W1472-F1500 HydrophobicContact CE3-CE2 3.7Å; W1472-F1500 HydrophobicContact CE3-CZ 4.07Å; W1472-F1500 HydrophobicContact CZ3-CD2 4.13Å; W1472-F1500 AromaticContact CZ3-CE2 3.8Å; W1472-F1500 HydrophobicContact CZ3-CE2 3.8Å; W1472-F1500 HydrophobicContact CZ3-CZ 4.31Å | ||
| 1473 | P | 90.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69.9 | -22.1 | -167.8 | 29.2 | -36.7 | 0 | 0 | 0 | 112.8 | L1018 P1147 I1150 V1498 W1507 | L1018-P1473 HydrophobicContact CB-CB 4.37Å; L1018-P1473 HydrophobicContact CD1-CB 4.24Å; L1018-P1473 HydrophobicContact CD2-CB 4.35Å; P1147-P1473 WeakPolarHBondContact CD-O 3.48Å; I1150-P1473 HydrophobicContact CD1-CB 3.86Å; I1150-P1473 HydrophobicContact CD1-CG 3.82Å; P1473-V1498 HydrophobicContact CG-CG1 3.98Å; P1473-V1498 HydrophobicContact CG-CG2 3.83Å; P1473-W1507 HydrophobicContact CB-CH2 4.05Å; P1473-W1507 HydrophobicContact CB-CZ3 4.22Å; P1473-W1507 HydrophobicContact CG-CH2 4.02Å; P1473-W1507 HydrophobicContact CG-CZ2 4.18Å; P1473-W1507 HydrophobicContact CG-CZ3 4.41Å |
| 1474 | A | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -134.3 | 161.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q1020 S1146 P1147 I1150 W1472 T1493 A1495 | Q1020-A1474 VanDerWaalsContact NE2-CA 3.29Å; S1146-A1474 WeakPolarHBondContact OG-CA 3.32Å; P1147-A1474 HydrophobicContact CG-CB 4.11Å; I1150-A1474 HydrophobicContact CD1-CB 4.37Å; W1472-A1474 PolarHBondContact O-N 2.81Å; A1474-T1493 HydrophobicContact CB-CG2 4.31Å; A1474-T1493 WeakPolarHBondContact O-CG2 3.38Å; A1474-A1495 HydrophobicContact CB-CB 3.52Å |
| 1475 | K | 90.5 | Very high | 86.8 | Confident | 97 Ų | 97 | 33.6 Ų | 33.6 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 139.2 | 178.6 | 175.1 | 162.9 | 162.2 | -88.5 | 0 | 112 | S1146 T1493 E1494 | S1146-K1475 PolarHBondContact OG-N 2.86Å; S1146-K1475 VanDerWaalsContact OG-N 3.11Å; K1475-T1493 CarbonylContact O-C 3.57Å; K1475-T1493 WeakPolarHBondContact O-CA 3.29Å; K1475-T1493 VanDerWaalsContact O-CB 3.28Å; K1475-T1493 WeakPolarHBondContact O-CB 3.23Å; K1475-E1494 WeakPolarHBondContact CD-OE2 3.38Å; K1475-E1494 IonicContact NZ-OE1 3.7Å; K1475-E1494 PolarHBondContact NZ-OE1 3.08Å; K1475-E1494 IonicContact NZ-OE2 3.05Å; K1475-E1494 PolarHBondContact NZ-OE2 3.27Å; K1475-E1494 VanDerWaalsContact NZ-OE2 3.08Å; K1475-E1494 PolarHBondContact O-N 3.4Å |
| 1476 | L | 91.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 150.7 | 179 | -64.4 | -172.4 | 0 | 0 | 0 | 112.1 | H1437 E1452 W1472 A1481 V1482 V1491 T1493 | H1437-L1476 WeakPolarHBondContact NE2-CD1 3.33Å; E1452-L1476 VanDerWaalsContact O-CD1 3.27Å; E1452-L1476 WeakPolarHBondContact O-CD1 3.33Å; W1472-L1476 HydrophobicContact CB-CD2 4.26Å; W1472-L1476 HydrophobicContact CG-CD2 3.99Å; W1472-L1476 HydrophobicContact CG-CG 4.48Å; L1476-A1481 HydrophobicContact CB-CB 3.78Å; L1476-A1481 HydrophobicContact CD1-CB 3.94Å; L1476-A1481 HydrophobicContact CD2-CB 4.3Å; L1476-A1481 HydrophobicContact CG-CB 4.22Å; L1476-V1482 HydrophobicContact CD1-CG2 4.45Å; L1476-V1491 HydrophobicContact CD2-CG1 3.41Å; L1476-V1491 VanDerWaalsContact CD2-CG1 3.41Å; L1476-T1493 HydrophobicContact CD2-CG2 4.33Å |
| 1477 | I | 88.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 151.6 | 167.8 | 66.7 | 171.8 | 0 | 0 | 0 | 110.8 | A1481 F1492 Q1517 | I1477-A1481 HydrophobicContact CG1-CB 4.16Å; I1477-A1481 WeakPolarHBondContact O-CB 3.18Å; I1477-F1492 HydrophobicContact CD1-CB 3.67Å; I1477-F1492 HydrophobicContact CD1-CG 4.49Å; I1477-F1492 HydrophobicContact CG1-CB 3.87Å; I1477-F1492 PolarHBondContact N-O 3.37Å; I1477-Q1517 HydrophobicContact CD1-CB 4.03Å; I1477-Q1517 HydrophobicContact CD1-CG 4.1Å |
| 1478 | S | 78.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 30.6 Ų | 30.6 | 74% | 0.741 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -62.3 | 137.3 | 174.7 | -48.6 | 0 | 0 | 0 | 0 | 112 | ||
| 1479 | G | 80.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 28.4 Ų | 28.4 | 52% | 0.515 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 96.8 | -133.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | A1481 | G1479-A1481 VanDerWaalsContact C-N 3.28Å; G1479-A1481 PolarHBondContact O-N 2.7Å |
| 1480 | T | 76 | Confident | 88.1 | Confident | 44 Ų | 44 | 27.2 Ų | 27.2 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -79 | 77.3 | -179.4 | -51.6 | 0 | 0 | 0 | 0 | 110 | R1334 P1518 M1521 | R1334-T1480 PolarHBondContact NH1-OG1 2.85Å; R1334-T1480 PolarHBondContact NH2-OG1 2.62Å; T1480-P1518 HydrophobicContact CG2-CG 4.49Å; T1480-P1518 WeakPolarHBondContact O-CG 3.24Å; T1480-M1521 HydrophobicContact CG2-SD 4.24Å |
| 1481 | A | 87 | Confident | 88.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -80.5 | -11 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1476 I1477 G1479 F1492 | L1476-A1481 HydrophobicContact CB-CB 3.78Å; L1476-A1481 HydrophobicContact CD1-CB 3.94Å; L1476-A1481 HydrophobicContact CD2-CB 4.3Å; L1476-A1481 HydrophobicContact CG-CB 4.22Å; I1477-A1481 HydrophobicContact CG1-CB 4.16Å; I1477-A1481 WeakPolarHBondContact O-CB 3.18Å; G1479-A1481 VanDerWaalsContact C-N 3.28Å; G1479-A1481 PolarHBondContact O-N 2.7Å; A1481-F1492 PolarHBondContact O-N 2.99Å | ||
| 1482 | V | 91.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.2 | -174.9 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | H1437 A1450 L1476 L1489 Y1490 | H1437-V1482 HydrophobicContact CB-CB 4.16Å; H1437-V1482 HydrophobicContact CB-CG2 3.97Å; A1450-V1482 HydrophobicContact CB-CG1 4.22Å; L1476-V1482 HydrophobicContact CD1-CG2 4.45Å; V1482-L1489 HydrophobicContact CG1-CD1 3.59Å; V1482-L1489 HydrophobicContact CG1-CD2 4.22Å; V1482-L1489 HydrophobicContact CG1-CG 3.91Å; V1482-Y1490 WeakPolarHBondContact CA-O 3.34Å |
| 1483 | S | 90.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.2 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | Y1490 M1521 | S1483-Y1490 PolarHBondContact N-O 3.41Å; S1483-Y1490 PolarHBondContact O-N 2.74Å; S1483-M1521 WeakPolarHBondContact CA-O 3.38Å; S1483-M1521 VanDerWaalsContact CB-O 3.26Å; S1483-M1521 WeakPolarHBondContact CB-O 3.3Å |
| 1484 | F | 88.7 | Confident | 88.3 | Confident | 50 Ų | 50 | 28.6 Ų | 28.6 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.4 | -174.8 | -179.2 | -106.6 | 0 | 0 | 0 | 111.9 | V1440 L1442 Y1486 Y1488 L1489 A1502 M1521 | V1440-F1484 HydrophobicContact CB-CG 4.47Å; V1440-F1484 HydrophobicContact CG1-CD1 3.61Å; V1440-F1484 HydrophobicContact CG1-CD2 3.87Å; V1440-F1484 HydrophobicContact CG1-CE1 3.45Å; V1440-F1484 VanDerWaalsContact CG1-CE1 3.45Å; V1440-F1484 HydrophobicContact CG1-CE2 3.73Å; V1440-F1484 HydrophobicContact CG1-CG 3.81Å; V1440-F1484 HydrophobicContact CG1-CZ 3.51Å; V1440-F1484 HydrophobicContact CG2-CB 3.84Å; V1440-F1484 HydrophobicContact CG2-CD1 4.09Å; V1440-F1484 HydrophobicContact CG2-CD2 4.14Å; V1440-F1484 HydrophobicContact CG2-CG 3.74Å; L1442-F1484 HydrophobicContact CD2-CE2 4.31Å; L1442-F1484 HydrophobicContact CD2-CZ 4.05Å; F1484-Y1486 HydrophobicContact CZ-CD2 4.07Å; F1484-Y1486 HydrophobicContact CZ-CG 4.42Å; F1484-Y1488 WeakPolarHBondContact CD2-O 3.41Å; F1484-L1489 HydrophobicContact CB-CD1 4.17Å; F1484-L1489 HydrophobicContact CD2-CB 4.4Å; F1484-L1489 HydrophobicContact CD2-CD1 4.05Å; F1484-A1502 HydrophobicContact CE2-CB 3.86Å; F1484-M1521 PolarHBondContact N-O 2.7Å |
| 1485 | S | 85.7 | Confident | 88.1 | Confident | 24 Ų | 24 | 29 Ų | 29 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 111.1 | 167.9 | -165.9 | 0 | 0 | 0 | 0 | 108.6 | Y1488 L1584 | S1485-Y1488 PolarHBondContact N-O 2.71Å; S1485-Y1488 PolarHBondContact O-N 2.7Å; S1485-Y1488 VanDerWaalsContact O-O 3.13Å; S1485-L1584 WeakPolarHBondContact OG-CD1 3.43Å |
| 1486 | Y | 83.4 | Confident | 87.9 | Confident | 89 Ų | 89 | 24.5 Ų | 24.5 | 35% | 0.349 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.1 | -165.2 | 179.2 | -83.3 | 0 | 0 | 0 | 113.2 | F1484 V1503 M1593 | F1484-Y1486 HydrophobicContact CZ-CD2 4.07Å; F1484-Y1486 HydrophobicContact CZ-CG 4.42Å; Y1486-V1503 HydrophobicContact CE2-CG2 3.78Å; Y1486-M1593 HydrophobicContact CE1-CE 4.46Å; Y1486-M1593 HydrophobicContact CE2-CE 4.32Å |
| 1487 | P | 88.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 24 Ų | 24 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89 | 5.8 | 2.5 | 36.6 | -38.1 | 0 | 0 | 0 | 114.9 | A1502 V1503 | P1487-A1502 WeakPolarHBondContact O-CB 3.4Å; P1487-A1502 PolarHBondContact O-N 3.47Å; P1487-V1503 HydrophobicContact CB-CB 4.47Å; P1487-V1503 HydrophobicContact CB-CG2 3.76Å |
| 1488 | Y | 90.6 | Very high | 88 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 8% | 0.082 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.6 | -165 | -59.6 | -72.3 | 0 | 0 | 0 | 114.6 | C1229 F1484 S1485 V1499 F1500 N1501 V1508 P1585 | C1229-Y1488 HydrophobicContact CB-CD1 4.16Å; C1229-Y1488 HydrophobicContact CB-CD2 4.25Å; C1229-Y1488 HydrophobicContact CB-CE1 3.93Å; C1229-Y1488 HydrophobicContact CB-CE2 4.01Å; C1229-Y1488 HydrophobicContact CB-CG 4.32Å; F1484-Y1488 WeakPolarHBondContact CD2-O 3.41Å; S1485-Y1488 PolarHBondContact N-O 2.71Å; S1485-Y1488 PolarHBondContact O-N 2.7Å; S1485-Y1488 VanDerWaalsContact O-O 3.13Å; Y1488-V1499 HydrophobicContact CD1-CG1 4.04Å; Y1488-V1499 HydrophobicContact CG-CG1 4.27Å; Y1488-F1500 CarbonylContact C-O 3.51Å; Y1488-F1500 VanDerWaalsContact CA-O 3.31Å; Y1488-F1500 WeakPolarHBondContact CA-O 3.33Å; Y1488-N1501 HydrophobicContact CD1-CB 4.1Å; Y1488-N1501 HydrophobicContact CE1-CB 3.97Å; Y1488-V1508 HydrophobicContact CD1-CG2 3.91Å; Y1488-V1508 HydrophobicContact CE1-CG1 4.25Å; Y1488-V1508 HydrophobicContact CE1-CG2 3.86Å; Y1488-P1585 HydrophobicContact CD2-CG 3.68Å; Y1488-P1585 HydrophobicContact CE2-CB 4.47Å; Y1488-P1585 HydrophobicContact CE2-CG 3.55Å |
| 1489 | L | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.8 | 170.5 | -168.6 | 79.5 | 0 | 0 | 0 | 109.1 | V1440 L1448 L1470 W1472 V1482 F1484 V1491 V1499 F1500 A1502 | V1440-L1489 HydrophobicContact CG2-CD1 4.41Å; L1448-L1489 HydrophobicContact CD2-CD2 4.18Å; L1470-L1489 HydrophobicContact CD1-CD2 4.39Å; W1472-L1489 HydrophobicContact CH2-CD2 3.72Å; W1472-L1489 HydrophobicContact CZ3-CD2 4.05Å; V1482-L1489 HydrophobicContact CG1-CD1 3.59Å; V1482-L1489 HydrophobicContact CG1-CD2 4.22Å; V1482-L1489 HydrophobicContact CG1-CG 3.91Å; F1484-L1489 HydrophobicContact CB-CD1 4.17Å; F1484-L1489 HydrophobicContact CD2-CB 4.4Å; F1484-L1489 HydrophobicContact CD2-CD1 4.05Å; L1489-V1491 HydrophobicContact CD2-CG2 3.77Å; L1489-V1491 HydrophobicContact CG-CG2 3.99Å; L1489-V1499 WeakPolarHBondContact O-CA 3.49Å; L1489-F1500 HydrophobicContact CB-CB 4.4Å; L1489-F1500 PolarHBondContact N-O 3.34Å; L1489-F1500 PolarHBondContact O-N 3.41Å; L1489-A1502 HydrophobicContact CB-CB 4.42Å |
| 1490 | Y | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.4 | 178.7 | -59.6 | -94.4 | 0 | 0 | 0 | 108.4 | L1230 V1482 S1483 L1497 V1499 A1523 I1582 L1584 | L1230-Y1490 HydrophobicContact CD2-CE1 4.21Å; V1482-Y1490 WeakPolarHBondContact CA-O 3.34Å; S1483-Y1490 PolarHBondContact N-O 3.41Å; S1483-Y1490 PolarHBondContact O-N 2.74Å; Y1490-L1497 HydrophobicContact CD1-CD1 4.32Å; Y1490-L1497 HydrophobicContact CD1-CD2 4.45Å; Y1490-V1499 HydrophobicContact CD1-CG1 4.25Å; Y1490-V1499 HydrophobicContact CD1-CG2 3.71Å; Y1490-V1499 HydrophobicContact CE1-CG1 4.15Å; Y1490-V1499 HydrophobicContact CE1-CG2 4.03Å; Y1490-A1523 HydrophobicContact CD2-CB 4.22Å; Y1490-A1523 HydrophobicContact CG-CB 4.01Å; Y1490-I1582 HydrophobicContact CE1-CG2 4.2Å; Y1490-L1584 HydrophobicContact CE2-CD2 4.14Å |
| 1491 | V | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 110 | -173.5 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | W1472 L1476 L1489 T1493 V1498 F1500 | W1472-V1491 HydrophobicContact CD2-CG1 4Å; W1472-V1491 HydrophobicContact CE3-CG1 3.99Å; W1472-V1491 HydrophobicContact CE3-CG2 4.06Å; W1472-V1491 HydrophobicContact CG-CG1 4.26Å; W1472-V1491 HydrophobicContact CH2-CG2 4.28Å; W1472-V1491 HydrophobicContact CZ3-CG2 3.83Å; L1476-V1491 HydrophobicContact CD2-CG1 3.41Å; L1476-V1491 VanDerWaalsContact CD2-CG1 3.41Å; L1489-V1491 HydrophobicContact CD2-CG2 3.77Å; L1489-V1491 HydrophobicContact CG-CG2 3.99Å; V1491-T1493 HydrophobicContact CG1-CG2 4.22Å; V1491-V1498 HydrophobicContact CB-CB 4.35Å; V1491-V1498 PolarHBondContact N-O 3.14Å; V1491-V1498 PolarHBondContact O-N 2.61Å; V1491-F1500 HydrophobicContact CB-CE2 4.4Å; V1491-F1500 HydrophobicContact CG2-CD2 3.88Å; V1491-F1500 HydrophobicContact CG2-CE2 4.06Å |
| 1492 | F | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.9 | -174.3 | -62.9 | -92.9 | 0 | 0 | 0 | 110.1 | I1477 A1481 L1497 V1516 P1518 A1523 | I1477-F1492 HydrophobicContact CD1-CB 3.67Å; I1477-F1492 HydrophobicContact CD1-CG 4.49Å; I1477-F1492 HydrophobicContact CG1-CB 3.87Å; I1477-F1492 PolarHBondContact N-O 3.37Å; A1481-F1492 PolarHBondContact O-N 2.99Å; F1492-L1497 HydrophobicContact CD1-CB 4.17Å; F1492-L1497 HydrophobicContact CD1-CD1 3.91Å; F1492-L1497 HydrophobicContact CD1-CG 4.44Å; F1492-L1497 HydrophobicContact CD2-CD1 4.33Å; F1492-L1497 HydrophobicContact CE1-CB 4.32Å; F1492-L1497 HydrophobicContact CE1-CD1 3.79Å; F1492-L1497 HydrophobicContact CE1-CD2 3.94Å; F1492-L1497 HydrophobicContact CE1-CG 4.23Å; F1492-L1497 HydrophobicContact CE2-CD1 4.2Å; F1492-L1497 HydrophobicContact CG-CD1 4.2Å; F1492-L1497 HydrophobicContact CZ-CD1 3.94Å; F1492-L1497 HydrophobicContact CZ-CD2 4.34Å; F1492-V1516 HydrophobicContact CD1-CB 4.15Å; F1492-V1516 HydrophobicContact CD1-CG1 4.24Å; F1492-V1516 WeakPolarHBondContact CD1-O 3.22Å; F1492-V1516 HydrophobicContact CE1-CB 4.17Å; F1492-V1516 HydrophobicContact CE1-CG1 3.8Å; F1492-P1518 HydrophobicContact CD2-CB 4.35Å; F1492-P1518 HydrophobicContact CD2-CG 3.72Å; F1492-P1518 HydrophobicContact CE1-CB 4.47Å; F1492-P1518 HydrophobicContact CE2-CB 3.69Å; F1492-P1518 HydrophobicContact CE2-CG 3.57Å; F1492-P1518 HydrophobicContact CG-CG 4.31Å; F1492-P1518 HydrophobicContact CZ-CB 3.76Å; F1492-P1518 HydrophobicContact CZ-CG 4.02Å; F1492-A1523 HydrophobicContact CE2-CB 4.05Å; F1492-A1523 HydrophobicContact CZ-CB 3.79Å |
| 1493 | T | 92 | Very high | 90 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 163.3 | -176.3 | 75.3 | 0 | 0 | 0 | 0 | 111.5 | A1474 K1475 L1476 V1491 A1495 G1496 V1498 | A1474-T1493 HydrophobicContact CB-CG2 4.31Å; A1474-T1493 WeakPolarHBondContact O-CG2 3.38Å; K1475-T1493 CarbonylContact O-C 3.57Å; K1475-T1493 WeakPolarHBondContact O-CA 3.29Å; K1475-T1493 VanDerWaalsContact O-CB 3.28Å; K1475-T1493 WeakPolarHBondContact O-CB 3.23Å; L1476-T1493 HydrophobicContact CD2-CG2 4.33Å; V1491-T1493 HydrophobicContact CG1-CG2 4.22Å; T1493-A1495 PolarHBondContact O-N 3.34Å; T1493-A1495 PolarHBondContact OG1-N 2.88Å; T1493-G1496 WeakPolarHBondContact CA-O 3.41Å; T1493-G1496 WeakPolarHBondContact CB-O 3.43Å; T1493-G1496 PolarHBondContact N-O 2.89Å; T1493-G1496 PolarHBondContact O-N 3.17Å; T1493-G1496 VanDerWaalsContact O-N 3.15Å; T1493-G1496 PolarHBondContact OG1-N 3.45Å; T1493-G1496 PolarHBondContact OG1-O 2.86Å; T1493-V1498 HydrophobicContact CG2-CG2 3.88Å |
| 1494 | E | 87.4 | Confident | 89.9 | Confident | 76 Ų | 76 | 20.9 Ų | 20.9 | 36% | 0.355 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.6 | 173.4 | -65.3 | -179.5 | 154.8 | 0 | 0 | 112.3 | K1475 | K1475-E1494 WeakPolarHBondContact CD-OE2 3.38Å; K1475-E1494 IonicContact NZ-OE1 3.7Å; K1475-E1494 PolarHBondContact NZ-OE1 3.08Å; K1475-E1494 IonicContact NZ-OE2 3.05Å; K1475-E1494 PolarHBondContact NZ-OE2 3.27Å; K1475-E1494 VanDerWaalsContact NZ-OE2 3.08Å; K1475-E1494 PolarHBondContact O-N 3.4Å |
| 1495 | A | 87.2 | Confident | 89.9 | Confident | 8 Ų | 8 | 20.4 Ų | 20.4 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1147 I1150 A1474 T1493 | P1147-A1495 WeakPolarHBondContact O-CB 3.28Å; I1150-A1495 HydrophobicContact CD1-CB 4.35Å; I1150-A1495 HydrophobicContact CG1-CB 4.2Å; A1474-A1495 HydrophobicContact CB-CB 3.52Å; T1493-A1495 PolarHBondContact O-N 3.34Å; T1493-A1495 PolarHBondContact OG1-N 2.88Å |
| 1496 | G | 86.2 | Confident | 90 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.2 | -177.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1493 L1511 | T1493-G1496 WeakPolarHBondContact CA-O 3.41Å; T1493-G1496 WeakPolarHBondContact CB-O 3.43Å; T1493-G1496 PolarHBondContact N-O 2.89Å; T1493-G1496 PolarHBondContact O-N 3.17Å; T1493-G1496 VanDerWaalsContact O-N 3.15Å; T1493-G1496 PolarHBondContact OG1-N 3.45Å; T1493-G1496 PolarHBondContact OG1-O 2.86Å; G1496-L1511 WeakPolarHBondContact CA-O 3.24Å |
| 1497 | L | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.1 | 174 | 161.3 | 62.9 | 0 | 0 | 0 | 109.8 | L1230 Y1490 F1492 V1499 T1510 L1511 I1582 | L1230-L1497 HydrophobicContact CD2-CD2 3.93Å; Y1490-L1497 HydrophobicContact CD1-CD1 4.32Å; Y1490-L1497 HydrophobicContact CD1-CD2 4.45Å; F1492-L1497 HydrophobicContact CD1-CB 4.17Å; F1492-L1497 HydrophobicContact CD1-CD1 3.91Å; F1492-L1497 HydrophobicContact CD1-CG 4.44Å; F1492-L1497 HydrophobicContact CD2-CD1 4.33Å; F1492-L1497 HydrophobicContact CE1-CB 4.32Å; F1492-L1497 HydrophobicContact CE1-CD1 3.79Å; F1492-L1497 HydrophobicContact CE1-CD2 3.94Å; F1492-L1497 HydrophobicContact CE1-CG 4.23Å; F1492-L1497 HydrophobicContact CE2-CD1 4.2Å; F1492-L1497 HydrophobicContact CG-CD1 4.2Å; F1492-L1497 HydrophobicContact CZ-CD1 3.94Å; F1492-L1497 HydrophobicContact CZ-CD2 4.34Å; L1497-V1499 HydrophobicContact CD1-CG2 4.28Å; L1497-V1499 HydrophobicContact CG-CG2 4.24Å; L1497-T1510 CarbonylContact O-C 3.5Å; L1497-T1510 VanDerWaalsContact O-CA 3.23Å; L1497-T1510 WeakPolarHBondContact O-CA 3.22Å; L1497-T1510 WeakPolarHBondContact O-CG2 3.48Å; L1497-L1511 HydrophobicContact CB-CB 4.26Å; L1497-L1511 PolarHBondContact N-O 2.89Å; L1497-L1511 PolarHBondContact O-N 2.74Å; L1497-I1582 HydrophobicContact CD2-CD1 3.67Å |
| 1498 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.1 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | P1473 V1491 T1493 F1500 W1507 | P1473-V1498 HydrophobicContact CG-CG1 3.98Å; P1473-V1498 HydrophobicContact CG-CG2 3.83Å; V1491-V1498 HydrophobicContact CB-CB 4.35Å; V1491-V1498 PolarHBondContact N-O 3.14Å; V1491-V1498 PolarHBondContact O-N 2.61Å; T1493-V1498 HydrophobicContact CG2-CG2 3.88Å; V1498-F1500 HydrophobicContact CB-CE2 4.46Å; V1498-F1500 HydrophobicContact CG1-CD2 4.07Å; V1498-F1500 HydrophobicContact CG1-CE2 3.44Å; V1498-F1500 VanDerWaalsContact CG1-CE2 3.44Å; V1498-F1500 HydrophobicContact CG1-CZ 3.9Å; V1498-W1507 HydrophobicContact CG1-CD2 4.43Å; V1498-W1507 HydrophobicContact CG1-CG 4.4Å; V1498-W1507 HydrophobicContact CG1-CZ2 4.34Å |
| 1499 | V | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.7 | -179.7 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | L1230 Y1488 L1489 Y1490 L1497 V1508 S1509 | L1230-V1499 HydrophobicContact CD1-CG2 3.86Å; L1230-V1499 HydrophobicContact CD2-CG2 3.78Å; L1230-V1499 HydrophobicContact CG-CG2 3.85Å; Y1488-V1499 HydrophobicContact CD1-CG1 4.04Å; Y1488-V1499 HydrophobicContact CG-CG1 4.27Å; L1489-V1499 WeakPolarHBondContact O-CA 3.49Å; Y1490-V1499 HydrophobicContact CD1-CG1 4.25Å; Y1490-V1499 HydrophobicContact CD1-CG2 3.71Å; Y1490-V1499 HydrophobicContact CE1-CG1 4.15Å; Y1490-V1499 HydrophobicContact CE1-CG2 4.03Å; L1497-V1499 HydrophobicContact CD1-CG2 4.28Å; L1497-V1499 HydrophobicContact CG-CG2 4.24Å; V1499-V1508 HydrophobicContact CB-CG2 3.98Å; V1499-V1508 HydrophobicContact CG1-CG2 3.71Å; V1499-V1508 WeakPolarHBondContact O-CG2 3.37Å; V1499-V1508 PolarHBondContact O-N 3.24Å; V1499-S1509 PolarHBondContact N-O 2.84Å; V1499-S1509 PolarHBondContact O-N 2.95Å |
| 1500 | F | 92.2 | Very high | 89.9 | Confident | 10 Ų | 10 | 19.3 Ų | 19.3 | 4% | 0.044 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 145.7 | 171.6 | -63.5 | -95.3 | 0 | 0 | 0 | 110.3 | L1470 W1472 Y1488 L1489 V1491 V1498 A1502 C1506 W1507 | L1470-F1500 HydrophobicContact CD1-CB 4.45Å; L1470-F1500 HydrophobicContact CD1-CG 4.44Å; L1470-F1500 HydrophobicContact CD2-CD1 3.86Å; L1470-F1500 HydrophobicContact CD2-CE1 4.17Å; W1472-F1500 HydrophobicContact CE3-CD2 4.45Å; W1472-F1500 AromaticContact CE3-CE2 3.7Å; W1472-F1500 HydrophobicContact CE3-CE2 3.7Å; W1472-F1500 HydrophobicContact CE3-CZ 4.07Å; W1472-F1500 HydrophobicContact CZ3-CD2 4.13Å; W1472-F1500 AromaticContact CZ3-CE2 3.8Å; W1472-F1500 HydrophobicContact CZ3-CE2 3.8Å; W1472-F1500 HydrophobicContact CZ3-CZ 4.31Å; Y1488-F1500 CarbonylContact C-O 3.51Å; Y1488-F1500 VanDerWaalsContact CA-O 3.31Å; Y1488-F1500 WeakPolarHBondContact CA-O 3.33Å; L1489-F1500 HydrophobicContact CB-CB 4.4Å; L1489-F1500 PolarHBondContact N-O 3.34Å; L1489-F1500 PolarHBondContact O-N 3.41Å; V1491-F1500 HydrophobicContact CB-CE2 4.4Å; V1491-F1500 HydrophobicContact CG2-CD2 3.88Å; V1491-F1500 HydrophobicContact CG2-CE2 4.06Å; V1498-F1500 HydrophobicContact CB-CE2 4.46Å; V1498-F1500 HydrophobicContact CG1-CD2 4.07Å; V1498-F1500 HydrophobicContact CG1-CE2 3.44Å; V1498-F1500 VanDerWaalsContact CG1-CE2 3.44Å; V1498-F1500 HydrophobicContact CG1-CZ 3.9Å; F1500-A1502 PolarHBondContact O-N 3.27Å; F1500-C1506 CarbonylContact C-O 3.6Å; F1500-C1506 VanDerWaalsContact CA-O 3.25Å; F1500-C1506 WeakPolarHBondContact CA-O 3.39Å; F1500-W1507 HydrophobicContact CD1-CB 3.87Å; F1500-W1507 HydrophobicContact CE1-CB 3.77Å; F1500-W1507 HydrophobicContact CE1-CG 4.29Å |
| 1501 | N | 90.9 | Very high | 89.5 | Confident | 13 Ų | 13 | 19.5 Ų | 19.5 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 108.4 | 160.8 | 175.3 | -20.5 | 0 | 0 | 0 | 106.7 | E1226 Y1488 V1503 T1504 S1505 C1506 V1508 | E1226-N1501 PolarHBondContact OE1-ND2 3.38Å; Y1488-N1501 HydrophobicContact CD1-CB 4.1Å; Y1488-N1501 HydrophobicContact CE1-CB 3.97Å; N1501-V1503 PolarHBondContact O-N 3.29Å; N1501-V1503 WeakPolarHBondContact OD1-CB 3.35Å; N1501-V1503 PolarHBondContact OD1-N 3.5Å; N1501-V1503 VanDerWaalsContact OD1-N 3.09Å; N1501-T1504 VanDerWaalsContact CB-OG1 3.28Å; N1501-T1504 WeakPolarHBondContact CB-OG1 3.26Å; N1501-T1504 PolarHBondContact ND2-OG1 2.9Å; N1501-T1504 PolarHBondContact O-N 2.98Å; N1501-T1504 PolarHBondContact OD1-N 3.32Å; N1501-T1504 VanDerWaalsContact OD1-N 3.13Å; N1501-T1504 PolarHBondContact OD1-OG1 3.24Å; N1501-S1505 WeakPolarHBondContact O-CA 3.47Å; N1501-S1505 PolarHBondContact O-N 3.02Å; N1501-C1506 PolarHBondContact N-O 3.02Å; N1501-C1506 PolarHBondContact O-N 3.46Å; N1501-V1508 HydrophobicContact CB-CG1 3.51Å |
| 1502 | A | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1442 L1448 Y1457 F1484 P1487 L1489 F1500 | L1442-A1502 HydrophobicContact CD1-CB 4.14Å; L1442-A1502 WeakPolarHBondContact CD1-O 3.48Å; L1442-A1502 HydrophobicContact CD2-CB 3.76Å; L1448-A1502 HydrophobicContact CD2-CB 3.95Å; Y1457-A1502 WeakPolarHBondContact CE1-O 3.4Å; Y1457-A1502 PolarHBondContact OH-O 2.89Å; F1484-A1502 HydrophobicContact CE2-CB 3.86Å; P1487-A1502 WeakPolarHBondContact O-CB 3.4Å; P1487-A1502 PolarHBondContact O-N 3.47Å; L1489-A1502 HydrophobicContact CB-CB 4.42Å; F1500-A1502 PolarHBondContact O-N 3.27Å |
| 1503 | V | 90.1 | Very high | 87.4 | Confident | 53 Ų | 53 | 20.6 Ų | 20.6 | 32% | 0.321 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -40.9 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | L1442 R1466 Y1486 P1487 N1501 | L1442-V1503 HydrophobicContact CD2-CG2 4.35Å; R1466-V1503 PolarHBondContact NH1-O 2.94Å; R1466-V1503 PolarHBondContact NH2-O 3.43Å; Y1486-V1503 HydrophobicContact CE2-CG2 3.78Å; P1487-V1503 HydrophobicContact CB-CB 4.47Å; P1487-V1503 HydrophobicContact CB-CG2 3.76Å; N1501-V1503 PolarHBondContact O-N 3.29Å; N1501-V1503 WeakPolarHBondContact OD1-CB 3.35Å; N1501-V1503 PolarHBondContact OD1-N 3.5Å; N1501-V1503 VanDerWaalsContact OD1-N 3.09Å |
| 1504 | T | 88.6 | Confident | 86.3 | Confident | 69 Ų | 69 | 21.3 Ų | 21.3 | 42% | 0.423 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.8 | 179.4 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | N1501 C1506 | N1501-T1504 VanDerWaalsContact CB-OG1 3.28Å; N1501-T1504 WeakPolarHBondContact CB-OG1 3.26Å; N1501-T1504 PolarHBondContact ND2-OG1 2.9Å; N1501-T1504 PolarHBondContact O-N 2.98Å; N1501-T1504 PolarHBondContact OD1-N 3.32Å; N1501-T1504 VanDerWaalsContact OD1-N 3.13Å; N1501-T1504 PolarHBondContact OD1-OG1 3.24Å; T1504-C1506 PolarHBondContact O-N 2.71Å; T1504-C1506 WeakPolarHBondContact OG1-CB 3.5Å; T1504-C1506 PolarHBondContact OG1-N 2.93Å; T1504-C1506 PolarHBondContact OG1-SG 2.78Å |
| 1505 | S | 88.5 | Confident | 85.6 | Confident | 40 Ų | 40 | 23.1 Ų | 23.1 | 28% | 0.28 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 12.4 | -169.9 | -51.7 | 0 | 0 | 0 | 0 | 114.8 | Y1457 R1466 L1470 N1501 | Y1457-S1505 WeakPolarHBondContact CE2-OG 3.47Å; Y1457-S1505 PolarHBondContact OH-OG 3.38Å; R1466-S1505 PolarHBondContact NH1-OG 3.16Å; L1470-S1505 WeakPolarHBondContact CD2-O 3.37Å; N1501-S1505 WeakPolarHBondContact O-CA 3.47Å; N1501-S1505 PolarHBondContact O-N 3.02Å |
| 1506 | C | 87.9 | Confident | 85.3 | Confident | 64 Ų | 64 | 23 Ų | 23 | 43% | 0.432 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.3 | -178.7 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | F1500 N1501 T1504 V1508 | F1500-C1506 CarbonylContact C-O 3.6Å; F1500-C1506 VanDerWaalsContact CA-O 3.25Å; F1500-C1506 WeakPolarHBondContact CA-O 3.39Å; N1501-C1506 PolarHBondContact N-O 3.02Å; N1501-C1506 PolarHBondContact O-N 3.46Å; T1504-C1506 PolarHBondContact O-N 2.71Å; T1504-C1506 WeakPolarHBondContact OG1-CB 3.5Å; T1504-C1506 PolarHBondContact OG1-N 2.93Å; T1504-C1506 PolarHBondContact OG1-SG 2.78Å; C1506-V1508 HydrophobicContact CB-CG1 4.36Å; C1506-V1508 PolarHBondContact O-N 3.14Å |
| 1507 | W | 88.9 | Confident | 85.3 | Confident | 42 Ų | 42 | 26.2 Ų | 26.2 | 16% | 0.159 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 101.1 | 168.6 | 174.6 | 12.3 | 0 | 0 | 0 | 109.6 | L1018 R1091 F1093 I1150 P1473 V1498 F1500 S1509 T1510 | L1018-W1507 HydrophobicContact CD1-CE3 4.44Å; L1018-W1507 HydrophobicContact CD1-CH2 4.46Å; L1018-W1507 HydrophobicContact CD1-CZ3 3.62Å; R1091-W1507 VanDerWaalsContact CD-CH2 3.47Å; R1091-W1507 VanDerWaalsContact CD-CZ2 3.43Å; R1091-W1507 VanDerWaalsContact NH2-CG 3.28Å; R1091-W1507 PolarHBondContact NH2-O 2.89Å; F1093-W1507 AromaticContact CE1-CH2 3.71Å; F1093-W1507 HydrophobicContact CE1-CH2 3.71Å; F1093-W1507 HydrophobicContact CE1-CZ3 4.07Å; F1093-W1507 AromaticContact CZ-CH2 3.63Å; F1093-W1507 HydrophobicContact CZ-CH2 3.63Å; F1093-W1507 AromaticContact CZ-CZ3 3.75Å; F1093-W1507 HydrophobicContact CZ-CZ3 3.75Å; I1150-W1507 HydrophobicContact CD1-CH2 4.2Å; I1150-W1507 HydrophobicContact CD1-CZ2 4.41Å; I1150-W1507 HydrophobicContact CG2-CH2 3.92Å; I1150-W1507 HydrophobicContact CG2-CZ2 3.98Å; P1473-W1507 HydrophobicContact CB-CH2 4.05Å; P1473-W1507 HydrophobicContact CB-CZ3 4.22Å; P1473-W1507 HydrophobicContact CG-CH2 4.02Å; P1473-W1507 HydrophobicContact CG-CZ2 4.18Å; P1473-W1507 HydrophobicContact CG-CZ3 4.41Å; V1498-W1507 HydrophobicContact CG1-CD2 4.43Å; V1498-W1507 HydrophobicContact CG1-CG 4.4Å; V1498-W1507 HydrophobicContact CG1-CZ2 4.34Å; F1500-W1507 HydrophobicContact CD1-CB 3.87Å; F1500-W1507 HydrophobicContact CE1-CB 3.77Å; F1500-W1507 HydrophobicContact CE1-CG 4.29Å; W1507-S1509 PolarHBondContact NE1-O 3.05Å; W1507-T1510 VanDerWaalsContact CZ2-OG1 3.23Å; W1507-T1510 WeakPolarHBondContact CZ2-OG1 3.3Å; W1507-T1510 PolarHBondContact NE1-OG1 3.12Å |
| 1508 | V | 87.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -34.5 | -165.8 | -52.3 | 0 | 0 | 0 | 0 | 113.7 | R1154 E1226 C1229 Y1488 V1499 N1501 C1506 | R1154-V1508 VanDerWaalsContact CZ-O 3.24Å; R1154-V1508 PolarHBondContact NH1-O 2.99Å; R1154-V1508 PolarHBondContact NH2-O 3.11Å; E1226-V1508 HydrophobicContact CB-CB 4.46Å; E1226-V1508 VanDerWaalsContact CD-CG1 3.43Å; E1226-V1508 WeakPolarHBondContact OE1-CG1 2.94Å; E1226-V1508 WeakPolarHBondContact OE2-CG1 3.36Å; C1229-V1508 HydrophobicContact CB-CG2 4.34Å; Y1488-V1508 HydrophobicContact CD1-CG2 3.91Å; Y1488-V1508 HydrophobicContact CE1-CG1 4.25Å; Y1488-V1508 HydrophobicContact CE1-CG2 3.86Å; V1499-V1508 HydrophobicContact CB-CG2 3.98Å; V1499-V1508 HydrophobicContact CG1-CG2 3.71Å; V1499-V1508 WeakPolarHBondContact O-CG2 3.37Å; V1499-V1508 PolarHBondContact O-N 3.24Å; N1501-V1508 HydrophobicContact CB-CG1 3.51Å; C1506-V1508 HydrophobicContact CB-CG1 4.36Å; C1506-V1508 PolarHBondContact O-N 3.14Å |
| 1509 | S | 87.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 166.9 | -176.2 | -158.9 | 0 | 0 | 0 | 0 | 113.2 | V1499 W1507 | V1499-S1509 PolarHBondContact N-O 2.84Å; V1499-S1509 PolarHBondContact O-N 2.95Å; W1507-S1509 PolarHBondContact NE1-O 3.05Å |
| 1510 | T | 87.9 | Confident | 84.7 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.3 | 173.6 | -69.2 | 0 | 0 | 0 | 0 | 111 | I1150 D1152 L1497 W1507 | I1150-T1510 HydrophobicContact CB-CG2 4.46Å; I1150-T1510 HydrophobicContact CG2-CG2 4.38Å; D1152-T1510 PolarHBondContact OD2-N 2.86Å; L1497-T1510 CarbonylContact O-C 3.5Å; L1497-T1510 VanDerWaalsContact O-CA 3.23Å; L1497-T1510 WeakPolarHBondContact O-CA 3.22Å; L1497-T1510 WeakPolarHBondContact O-CG2 3.48Å; W1507-T1510 VanDerWaalsContact CZ2-OG1 3.23Å; W1507-T1510 WeakPolarHBondContact CZ2-OG1 3.3Å; W1507-T1510 PolarHBondContact NE1-OG1 3.12Å |
| 1511 | L | 85.1 | Confident | 84 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.6 | 167.9 | -179.9 | 69.1 | 0 | 0 | 0 | 109 | Y1187 L1230 V1232 G1496 L1497 V1516 | Y1187-L1511 HydrophobicContact CD2-CD1 3.93Å; L1230-L1511 HydrophobicContact CD1-CB 4.24Å; V1232-L1511 HydrophobicContact CG2-CD1 4.48Å; V1232-L1511 HydrophobicContact CG2-CD2 4.02Å; G1496-L1511 WeakPolarHBondContact CA-O 3.24Å; L1497-L1511 HydrophobicContact CB-CB 4.26Å; L1497-L1511 PolarHBondContact N-O 2.89Å; L1497-L1511 PolarHBondContact O-N 2.74Å; L1511-V1516 HydrophobicContact CD2-CG2 4.08Å |
| 1512 | S | 76.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | trans | -114.1 | -9.9 | -156 | -64.6 | 0 | 0 | 0 | 0 | 115.2 | I1150 V1151 V1184 | I1150-S1512 WeakPolarHBondContact O-CB 3.23Å; I1150-S1512 PolarHBondContact O-OG 3.18Å; V1151-S1512 WeakPolarHBondContact CA-OG 3.27Å; V1184-S1512 VanDerWaalsContact CG1-CB 3.41Å | ||
| 1513 | S | 67.3 | Low | 83.1 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -95.9 | -15.8 | -164.9 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | D1185 L1188 | D1185-S1513 PolarHBondContact OD1-OG 2.9Å; D1185-S1513 WeakPolarHBondContact OD2-CB 3.49Å; D1185-S1513 PolarHBondContact OD2-OG 3.18Å; L1188-S1513 WeakPolarHBondContact CD1-OG 3.29Å; L1188-S1513 WeakPolarHBondContact CG-OG 3.45Å |
| 1514 | C | 67.6 | Low | 82.8 | Confident | 15 Ų | 15 | 28.3 Ų | 28.3 | 10% | 0.101 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -151.2 | 160.6 | 177 | 65 | 0 | 0 | 0 | 0 | 112.7 | L1188 V1516 R1580 | L1188-C1514 HydrophobicContact CD1-CB 3.95Å; L1188-C1514 VanDerWaalsContact CD1-SG 3.58Å; C1514-V1516 WeakPolarHBondContact SG-CG2 3.23Å; C1514-R1580 PolarHBondContact SG-NH1 3.27Å; C1514-R1580 VanDerWaalsContact SG-NH1 3.37Å |
| 1515 | R | 73.1 | Confident | 82.8 | Confident | 113 Ų | 113 | 25 Ų | 25 | 43% | 0.426 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.5 | 168.4 | -175 | 176 | -179.9 | 162.9 | 2.6 | 108.5 | H1529 | R1515-H1529 PolarHBondContact O-N 3Å |
| 1516 | V | 82 | Confident | 82.7 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.8 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | F1492 L1511 C1514 C1526 L1527 A1528 | F1492-V1516 HydrophobicContact CD1-CB 4.15Å; F1492-V1516 HydrophobicContact CD1-CG1 4.24Å; F1492-V1516 WeakPolarHBondContact CD1-O 3.22Å; F1492-V1516 HydrophobicContact CE1-CB 4.17Å; F1492-V1516 HydrophobicContact CE1-CG1 3.8Å; L1511-V1516 HydrophobicContact CD2-CG2 4.08Å; C1514-V1516 WeakPolarHBondContact SG-CG2 3.23Å; V1516-C1526 HydrophobicContact CG1-CB 3.53Å; V1516-L1527 CarbonylContact C-O 3.56Å; V1516-L1527 WeakPolarHBondContact CA-O 3.07Å; V1516-A1528 HydrophobicContact CG2-CB 4.4Å |
| 1517 | Q | 85.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 20.5 Ų | 20.5 | 34% | 0.336 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.8 | 175.3 | 176.3 | 178.5 | -38.4 | 0 | 0 | 109.4 | I1477 C1526 L1527 | I1477-Q1517 HydrophobicContact CD1-CB 4.03Å; I1477-Q1517 HydrophobicContact CD1-CG 4.1Å; Q1517-C1526 CarbonylContact O-C 3.59Å; Q1517-C1526 WeakPolarHBondContact O-CA 3.41Å; Q1517-L1527 PolarHBondContact N-O 2.88Å; Q1517-L1527 PolarHBondContact O-N 3.34Å |
| 1518 | P | 89.9 | Confident | 82 | Confident | 8 Ų | 8 | 18.5 Ų | 18.5 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 142.6 | 176.3 | 31.1 | -33.2 | 0 | 0 | 0 | 110.7 | T1480 F1492 | T1480-P1518 HydrophobicContact CG2-CG 4.49Å; T1480-P1518 WeakPolarHBondContact O-CG 3.24Å; F1492-P1518 HydrophobicContact CD2-CB 4.35Å; F1492-P1518 HydrophobicContact CD2-CG 3.72Å; F1492-P1518 HydrophobicContact CE1-CB 4.47Å; F1492-P1518 HydrophobicContact CE2-CB 3.69Å; F1492-P1518 HydrophobicContact CE2-CG 3.57Å; F1492-P1518 HydrophobicContact CG-CG 4.31Å; F1492-P1518 HydrophobicContact CZ-CB 3.76Å; F1492-P1518 HydrophobicContact CZ-CG 4.02Å |
| 1519 | L | 88.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -103.7 | -16.2 | 173.8 | -61.8 | 176.2 | 0 | 0 | 0 | 112.3 | I1247 C1249 A1250 L1525 L1527 L1579 | I1247-L1519 HydrophobicContact CG2-CD1 3.97Å; I1247-L1519 HydrophobicContact CG2-CD2 4.14Å; I1247-L1519 WeakPolarHBondContact O-CD2 3.26Å; C1249-L1519 CarbonylContact C-O 3.44Å; C1249-L1519 WeakPolarHBondContact CA-O 3.36Å; A1250-L1519 HydrophobicContact CB-CB 3.74Å; A1250-L1519 HydrophobicContact CB-CD1 4.15Å; A1250-L1519 PolarHBondContact N-O 3.25Å; L1519-L1525 HydrophobicContact CB-CB 4.41Å; L1519-L1525 PolarHBondContact N-O 3.49Å; L1519-L1527 HydrophobicContact CD1-CB 4.23Å; L1519-L1527 HydrophobicContact CD2-CB 4.22Å; L1519-L1527 HydrophobicContact CG-CB 4.24Å; L1519-L1579 HydrophobicContact CD1-CD1 3.49Å; L1519-L1579 VanDerWaalsContact CD1-CD1 3.49Å |
| 1520 | S | 83.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 22.1 Ų | 22.1 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -127.1 | 154.4 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | A1250 D1522 A1523 H1524 L1525 | A1250-S1520 WeakPolarHBondContact O-CB 3.25Å; S1520-D1522 VanDerWaalsContact CB-OD1 3.26Å; S1520-D1522 WeakPolarHBondContact CB-OD1 3.27Å; S1520-D1522 PolarHBondContact O-N 3.32Å; S1520-D1522 VanDerWaalsContact O-N 3.16Å; S1520-D1522 PolarHBondContact OG-OD1 3.46Å; S1520-A1523 PolarHBondContact O-N 3.38Å; S1520-A1523 VanDerWaalsContact O-N 3.11Å; S1520-H1524 PolarHBondContact OG-N 2.84Å; S1520-L1525 PolarHBondContact OG-N 2.7Å |
| 1521 | M | 77.2 | Confident | 78.2 | Confident | 53 Ų | 53 | 25.3 Ų | 25.3 | 26% | 0.261 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.9 | -178.1 | -73 | -68.5 | -65.4 | 0 | 0 | 114.4 | R1334 T1480 S1483 F1484 | R1334-M1521 PolarHBondContact NH1-SD 2.88Å; T1480-M1521 HydrophobicContact CG2-SD 4.24Å; S1483-M1521 WeakPolarHBondContact CA-O 3.38Å; S1483-M1521 VanDerWaalsContact CB-O 3.26Å; S1483-M1521 WeakPolarHBondContact CB-O 3.3Å; F1484-M1521 PolarHBondContact N-O 2.7Å |
| 1522 | D | 80.5 | Confident | 75.9 | Confident | 27 Ų | 27 | 28.8 Ų | 28.8 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 7.7 | 178.5 | 65.2 | -4.4 | 0 | 0 | 0 | 113.3 | S1520 H1524 S1603 | S1520-D1522 VanDerWaalsContact CB-OD1 3.26Å; S1520-D1522 WeakPolarHBondContact CB-OD1 3.27Å; S1520-D1522 PolarHBondContact O-N 3.32Å; S1520-D1522 VanDerWaalsContact O-N 3.16Å; S1520-D1522 PolarHBondContact OG-OD1 3.46Å; D1522-H1524 PolarHBondContact O-N 2.83Å; D1522-H1524 WeakPolarHBondContact OD1-CB 3.39Å; D1522-H1524 PolarHBondContact OD1-N 3.07Å; D1522-S1603 VanDerWaalsContact OD2-CB 3.26Å; D1522-S1603 WeakPolarHBondContact OD2-CB 3.31Å; D1522-S1603 PolarHBondContact OD2-OG 3.28Å |
| 1523 | A | 82 | Confident | 74.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 57.6 | 4.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y1490 F1492 S1520 L1525 C1526 | Y1490-A1523 HydrophobicContact CD2-CB 4.22Å; Y1490-A1523 HydrophobicContact CG-CB 4.01Å; F1492-A1523 HydrophobicContact CE2-CB 4.05Å; F1492-A1523 HydrophobicContact CZ-CB 3.79Å; S1520-A1523 PolarHBondContact O-N 3.38Å; S1520-A1523 VanDerWaalsContact O-N 3.11Å; A1523-L1525 VanDerWaalsContact C-N 3.31Å; A1523-L1525 PolarHBondContact O-N 3.45Å; A1523-C1526 PolarHBondContact O-SG 3.11Å |
| 1524 | H | 83.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -62.6 | -35.5 | -174.3 | 177.4 | -102.4 | 0 | 0 | 0 | 112.9 | S1520 D1522 L1581 I1582 L1584 R1604 | S1520-H1524 PolarHBondContact OG-N 2.84Å; D1522-H1524 PolarHBondContact O-N 2.83Å; D1522-H1524 WeakPolarHBondContact OD1-CB 3.39Å; D1522-H1524 PolarHBondContact OD1-N 3.07Å; H1524-L1581 VanDerWaalsContact CE1-CD1 3.41Å; H1524-L1581 WeakPolarHBondContact CE1-CD1 3.39Å; H1524-L1581 WeakPolarHBondContact O-CA 3.03Å; H1524-I1582 PolarHBondContact CD2-O 3.06Å; H1524-I1582 VanDerWaalsContact CD2-O 3.3Å; H1524-I1582 PolarHBondContact O-N 3.44Å; H1524-L1584 HydrophobicContact CB-CD1 4.03Å; H1524-L1584 HydrophobicContact CB-CG 4.38Å; H1524-R1604 PolarHBondContact CE1-O 2.97Å |
| 1525 | L | 88.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.1 | 166.9 | -79.7 | 173.4 | 0 | 0 | 0 | 110.6 | V1235 A1250 V1252 F1258 L1519 S1520 A1523 L1579 L1581 L1606 | V1235-L1525 HydrophobicContact CG2-CD2 4.5Å; A1250-L1525 HydrophobicContact CB-CB 4.41Å; A1250-L1525 HydrophobicContact CB-CD1 3.8Å; V1252-L1525 HydrophobicContact CG2-CD1 3.95Å; V1252-L1525 HydrophobicContact CG2-CG 4.35Å; F1258-L1525 HydrophobicContact CB-CD1 4.04Å; F1258-L1525 HydrophobicContact CD2-CD1 3.95Å; F1258-L1525 HydrophobicContact CG-CD1 4.04Å; L1519-L1525 HydrophobicContact CB-CB 4.41Å; L1519-L1525 PolarHBondContact N-O 3.49Å; S1520-L1525 PolarHBondContact OG-N 2.7Å; A1523-L1525 VanDerWaalsContact C-N 3.31Å; A1523-L1525 PolarHBondContact O-N 3.45Å; L1525-L1579 HydrophobicContact CD2-CD1 4.37Å; L1525-L1579 HydrophobicContact CD2-CD2 4.45Å; L1525-L1579 HydrophobicContact CD2-CG 4.42Å; L1525-L1581 HydrophobicContact CD2-CD1 4.13Å; L1525-L1606 HydrophobicContact CD1-CD1 4.2Å; L1525-L1606 HydrophobicContact CD2-CD1 3.81Å; L1525-L1606 HydrophobicContact CG-CD1 4.26Å |
| 1526 | C | 87 | Confident | 68.3 | Low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.6 | -178 | -79 | 0 | 0 | 0 | 0 | 111.8 | V1516 Q1517 A1523 R1580 | V1516-C1526 HydrophobicContact CG1-CB 3.53Å; Q1517-C1526 CarbonylContact O-C 3.59Å; Q1517-C1526 WeakPolarHBondContact O-CA 3.41Å; A1523-C1526 PolarHBondContact O-SG 3.11Å; C1526-R1580 PolarHBondContact N-O 2.73Å; C1526-R1580 PolarHBondContact O-N 2.68Å |
| 1527 | L | 85.6 | Confident | 65.7 | Low | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132 | 169.6 | -163.8 | 69.7 | 0 | 0 | 0 | 108.9 | V1516 Q1517 L1519 Q1577 | V1516-L1527 CarbonylContact C-O 3.56Å; V1516-L1527 WeakPolarHBondContact CA-O 3.07Å; Q1517-L1527 PolarHBondContact N-O 2.88Å; Q1517-L1527 PolarHBondContact O-N 3.34Å; L1519-L1527 HydrophobicContact CD1-CB 4.23Å; L1519-L1527 HydrophobicContact CD2-CB 4.22Å; L1519-L1527 HydrophobicContact CG-CB 4.24Å; L1527-Q1577 HydrophobicContact CD1-CB 3.95Å; L1527-Q1577 HydrophobicContact CD2-CB 4.48Å; L1527-Q1577 HydrophobicContact CG-CB 4.23Å |
| 1528 | A | 77.1 | Confident | 62.8 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1516 L1578 R1580 | V1516-A1528 HydrophobicContact CG2-CB 4.4Å; A1528-L1578 PolarHBondContact N-O 3.44Å; A1528-L1578 PolarHBondContact O-N 3.45Å; A1528-R1580 HydrophobicContact CB-CG 4.21Å |
| 1529 | H | 71.8 | Confident | 59.8 | Low | 40 Ų | 40 | 53.6 Ų | 53.6 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.4 | 179.1 | -61.7 | -99.2 | 0 | 0 | 0 | 109.3 | R1515 | R1515-H1529 PolarHBondContact O-N 3Å |
| 1530 | L | 59.6 | Low | 56.9 | Low | 58 Ų | 58 | 58.2 Ų | 58.2 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | trans | -78.5 | 122.8 | 170.1 | -71.3 | 178.5 | 0 | 0 | 0 | 109.6 | Q1576 L1578 | L1530-Q1576 PolarHBondContact N-O 3.21Å; L1530-L1578 HydrophobicContact CD1-CD1 3.64Å; L1530-L1578 HydrophobicContact CD1-CG 4.26Å; L1530-L1578 HydrophobicContact CG-CD1 4.21Å | ||
| 1531 | S | 50.7 | Low | 54 | Low | 72 Ų | 72 | 69.3 Ų | 69.3 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -67.3 | 136.1 | 164.7 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | L1073 A1533 | L1073-S1531 WeakPolarHBondContact CD2-OG 3.23Å; S1531-A1533 PolarHBondContact O-N 2.75Å | ||
| 1532 | S | 38.1 | Very low | 51.7 | Low | 76 Ų | 76 | 76.5 Ų | 76.5 | 53% | 0.531 | 44% | 0.443 | S | S | . | . | trans | -73.8 | 59.6 | -171.1 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | Q1573 | S1532-Q1573 PolarHBondContact OG-OE1 2.68Å; S1532-Q1573 VanDerWaalsContact OG-OE1 3.1Å | ||
| 1533 | A | 37.6 | Very low | 49.3 | Very low | 55 Ų | 55 | 81 Ų | 81 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | trans | -101.9 | 117.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1191 S1531 | A1191-A1533 HydrophobicContact CB-CB 4.38Å; S1531-A1533 PolarHBondContact O-N 2.75Å | ||
| 1534 | S | 32.5 | Very low | 46.5 | Very low | 86 Ų | 86 | 85.5 Ų | 85.5 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | trans | 51.4 | 78.2 | 166.8 | 56.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1535 | V | 26.7 | Very low | 43.8 | Very low | 146 Ų | 146 | 93.9 Ų | 93.9 | 89% | 0.885 | 56% | 0.556 | S | S | * | * | trans | -90.4 | 89.1 | 141.9 | -179.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1536 | S | 27.5 | Very low | 40.9 | Very low | 88 Ų | 88 | 97.6 Ų | 97.6 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | trans | -139.8 | 98.8 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1537 | N | 26.7 | Very low | 37.9 | Very low | 154 Ų | 154 | 102.6 Ų | 102.6 | 82% | 0.824 | 63% | 0.63 | S | S | * | * | trans | 44.1 | 83.2 | 164.4 | -62.3 | -3.2 | 0 | 0 | 0 | 117.4 | ||||
| 1538 | S | 25.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 83% | 0.825 | 66% | 0.664 | S | S | * | * | trans | -110.1 | 14.3 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | S1540 | S1538-S1540 VanDerWaalsContact C-N 3.3Å; S1538-S1540 PolarHBondContact O-N 2.72Å; S1538-S1540 VanDerWaalsContact O-N 3.09Å | ||
| 1539 | S | 26.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 116 Ų | 116 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -84 | 42.7 | -173.4 | 41.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1540 | S | 26.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -155.8 | 59 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 114.9 | S1538 | S1538-S1540 VanDerWaalsContact C-N 3.3Å; S1538-S1540 PolarHBondContact O-N 2.72Å; S1538-S1540 VanDerWaalsContact O-N 3.09Å | ||
| 1541 | R | 24 | Very low | 29 | Very low | 253 Ų | 253 | 124 Ų | 124 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | trans | -110.1 | 76.9 | 159 | -71.9 | -170.7 | -177.4 | 177 | 2.8 | 111.3 | ||||
| 1542 | K | 28.8 | Very low | 28.1 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 143.1 | 158.7 | -80.7 | -172.2 | 174.6 | -179.3 | 0 | 109.3 | ||
| 1543 | S | 29.1 | Very low | 27.5 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.9 | -171.7 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1544 | A | 23.5 | Very low | 27.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1545 | I | 25.5 | Very low | 26.9 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -171.3 | 140.6 | 157.7 | -96.4 | 148.7 | 0 | 0 | 0 | 105.3 | ||||
| 1546 | G | 27.9 | Very low | 27 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 112.4 | 74.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1547 | S | 24.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -87.7 | 144.5 | 165.1 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1548 | I | 25.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | 170.9 | 129.1 | 124.2 | -90.7 | 158 | 0 | 0 | 0 | 110.8 | |||||
| 1549 | I | 25.4 | Very low | 27.4 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 28.1 | 115.4 | 148.2 | -52.3 | 169.2 | 0 | 0 | 0 | 117.6 | ||||
| 1550 | D | 30.5 | Very low | 27.5 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | -142.7 | 156.7 | 113.5 | -139.3 | -25.9 | 0 | 0 | 0 | 111.4 | |||||
| 1551 | S | 25.8 | Very low | 27.7 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -134.8 | 110.4 | -167.1 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1552 | S | 30.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -144.7 | 132.3 | 170.3 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1553 | T | 26.9 | Very low | 28 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -73.7 | 135 | -179.4 | 48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1554 | G | 30.4 | Very low | 28 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -144 | 119 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1555 | S | 27.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 134.2 | -168.7 | 178.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1556 | V | 27.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 25.3 | 114 | 143.2 | -171.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1557 | A | 29.9 | Very low | 29.1 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 111.9 | 140 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1559 | A1557-P1559 WeakPolarHBondContact O-CD 3.32Š| ||
| 1558 | T | 28.6 | Very low | 29.3 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 109.8 | -178.4 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1559 | P | 30.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.6 | 165 | 30.5 | -27.3 | 0 | 0 | 0 | 109.4 | A1557 | A1557-P1559 WeakPolarHBondContact O-CD 3.32Š|
| 1560 | S | 28.4 | Very low | 29.5 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130.4 | 173.5 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1561 | P | 32.2 | Very low | 29.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 148.5 | -176.4 | 29.7 | -35.5 | 0 | 0 | 0 | 112 | ||
| 1562 | P | 31 | Very low | 29.6 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 139.6 | 179.6 | 28.6 | -34.6 | 0 | 0 | 0 | 111.9 | V1564 | P1562-V1564 PolarHBondContact O-N 3.49Š|
| 1563 | Y | 27.6 | Very low | 29.7 | Very low | 242 Ų | 242 | 127.7 Ų | 127.7 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.9 | 169 | -106 | -117.2 | 0 | 0 | 0 | 109.9 | ||
| 1564 | V | 28.7 | Very low | 30.3 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -116.3 | 129 | 168.2 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | P1562 | P1562-V1564 PolarHBondContact O-N 3.49Š| ||
| 1565 | S | 27.6 | Very low | 31.2 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -80.9 | 147.5 | -173.4 | -157.8 | 0 | 0 | 0 | 0 | 111.8 | N1567 | S1565-N1567 PolarHBondContact O-N 3.03Š| ||
| 1566 | P | 39.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -88.1 | 19.5 | -155.4 | -13.1 | 32.3 | 0 | 0 | 0 | 117.8 | ||
| 1567 | N | 31.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -91.6 | -24.4 | -161.4 | -77.2 | 7.8 | 0 | 0 | 0 | 116.6 | S1565 L1569 | S1565-N1567 PolarHBondContact O-N 3.03Å; N1567-L1569 PolarHBondContact O-N 3.43Å | ||
| 1568 | D | 28.6 | Very low | 36.1 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -83.9 | 38.9 | -166.9 | -54.3 | -43.3 | 0 | 0 | 0 | 115.1 | ||||
| 1569 | L | 29.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 119.8 Ų | 119.8 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -132.5 | 45.2 | -173.5 | -101.9 | 166.9 | 0 | 0 | 0 | 114.2 | N1567 | N1567-L1569 PolarHBondContact O-N 3.43Š| ||
| 1570 | V | 27.5 | Very low | 40.6 | Very low | 147 Ų | 147 | 114.2 Ų | 114.2 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | trans | -129.1 | 55.8 | 171.4 | -163.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1571 | S | 26.9 | Very low | 43 | Very low | 100 Ų | 100 | 108.9 Ų | 108.9 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -112.1 | 113.1 | 170 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1572 | S | 31.6 | Very low | 45.1 | Very low | 101 Ų | 101 | 103.8 Ų | 103.8 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | 27 | 93.3 | 169.5 | 63.8 | 0 | 0 | 0 | 0 | 118 | Q1574 | S1572-Q1574 PolarHBondContact O-N 3.38Š| ||
| 1573 | Q | 32.9 | Very low | 47 | Very low | 159 Ų | 159 | 99.7 Ų | 99.7 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | trans | -67.7 | 94.8 | 168.9 | -72 | -163.3 | 4.1 | 0 | 0 | 111.5 | S1532 Q1575 | S1532-Q1573 PolarHBondContact OG-OE1 2.68Å; S1532-Q1573 VanDerWaalsContact OG-OE1 3.1Å; Q1573-Q1575 PolarHBondContact O-N 3.08Å | ||
| 1574 | Q | 39.3 | Very low | 48.9 | Very low | 175 Ų | 175 | 88.4 Ų | 88.4 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | trans | -67.7 | 110.9 | 170.5 | -65.2 | -176.4 | 8.1 | 0 | 0 | 110 | S1572 Q1576 | S1572-Q1574 PolarHBondContact O-N 3.38Å; Q1574-Q1576 PolarHBondContact O-N 3.09Å | ||
| 1575 | Q | 48.7 | Very low | 50.4 | Low | 129 Ų | 129 | 83.4 Ų | 83.4 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 116.7 | 173.4 | -68.3 | -175.4 | 4.8 | 0 | 0 | 110 | Q1573 Q1577 | Q1573-Q1575 PolarHBondContact O-N 3.08Å; Q1575-Q1577 PolarHBondContact O-N 3.1Å |
| 1576 | Q | 54.3 | Low | 51.7 | Low | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 118.4 | 176.8 | -68.6 | -177.8 | -10.7 | 0 | 0 | 110.4 | L1530 Q1574 | L1530-Q1576 PolarHBondContact N-O 3.21Å; Q1574-Q1576 PolarHBondContact O-N 3.09Å |
| 1577 | Q | 64.8 | Low | 52.2 | Low | 41 Ų | 41 | 85.7 Ų | 85.7 | 19% | 0.192 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.2 | 175.7 | -58.1 | 176.9 | 3.7 | 0 | 0 | 109 | S1241 L1527 Q1575 | S1241-Q1577 WeakPolarHBondContact CB-O 3.37Å; S1241-Q1577 PolarHBondContact OG-O 2.62Å; L1527-Q1577 HydrophobicContact CD1-CB 3.95Å; L1527-Q1577 HydrophobicContact CD2-CB 4.48Å; L1527-Q1577 HydrophobicContact CG-CB 4.23Å; Q1575-Q1577 PolarHBondContact O-N 3.1Å |
| 1578 | L | 68.3 | Low | 52.4 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.8 | 176.8 | -71 | 178.4 | 0 | 0 | 0 | 111 | A1528 L1530 | A1528-L1578 PolarHBondContact N-O 3.44Å; A1528-L1578 PolarHBondContact O-N 3.45Å; L1530-L1578 HydrophobicContact CD1-CD1 3.64Å; L1530-L1578 HydrophobicContact CD1-CG 4.26Å; L1530-L1578 HydrophobicContact CG-CD1 4.21Å |
| 1579 | L | 78.2 | Confident | 52.8 | Low | 7 Ų | 7 | 83.2 Ų | 83.2 | 4% | 0.037 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131 | 172.3 | -173.1 | 71 | 0 | 0 | 0 | 110 | V1235 F1258 L1519 L1525 | V1235-L1579 HydrophobicContact CB-CB 4.25Å; V1235-L1579 HydrophobicContact CB-CD2 4.09Å; V1235-L1579 HydrophobicContact CB-CG 4.14Å; V1235-L1579 WeakPolarHBondContact CB-O 3.47Å; V1235-L1579 HydrophobicContact CG1-CD2 4.07Å; V1235-L1579 HydrophobicContact CG2-CD2 4.19Å; V1235-L1579 HydrophobicContact CG2-CG 4Å; V1235-L1579 PolarHBondContact N-O 2.81Å; F1258-L1579 HydrophobicContact CE1-CD2 3.92Å; F1258-L1579 HydrophobicContact CE2-CD2 3.67Å; F1258-L1579 HydrophobicContact CZ-CD2 3.19Å; L1519-L1579 HydrophobicContact CD1-CD1 3.49Å; L1519-L1579 VanDerWaalsContact CD1-CD1 3.49Å; L1525-L1579 HydrophobicContact CD2-CD1 4.37Å; L1525-L1579 HydrophobicContact CD2-CD2 4.45Å; L1525-L1579 HydrophobicContact CD2-CG 4.42Å |
| 1580 | R | 75.5 | Confident | 53.2 | Low | 5 Ų | 5 | 78.5 Ų | 78.5 | 2% | 0.019 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.6 | -177.2 | -66.1 | -167.3 | 165 | 132.7 | 8.9 | 112.4 | L1188 V1232 R1233 D1234 C1514 C1526 A1528 | L1188-R1580 VanDerWaalsContact CD1-NH1 3.3Å; V1232-R1580 HydrophobicContact CG1-CB 4.42Å; R1233-R1580 WeakPolarHBondContact O-CA 2.96Å; D1234-R1580 IonicContact OD1-CZ 3.93Å; D1234-R1580 VanDerWaalsContact OD1-CZ 3.29Å; D1234-R1580 IonicContact OD1-NE 3.9Å; D1234-R1580 PolarHBondContact OD1-NE 2.99Å; D1234-R1580 IonicContact OD1-NH2 2.62Å; D1234-R1580 PolarHBondContact OD1-NH2 3.01Å; D1234-R1580 IonicContact OD2-NH2 2.73Å; C1514-R1580 PolarHBondContact SG-NH1 3.27Å; C1514-R1580 VanDerWaalsContact SG-NH1 3.37Å; C1526-R1580 PolarHBondContact N-O 2.73Å; C1526-R1580 PolarHBondContact O-N 2.68Å; A1528-R1580 HydrophobicContact CB-CG 4.21Å |
| 1581 | L | 78.4 | Confident | 53.7 | Low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.4 | 171.9 | -163.2 | 79.5 | 0 | 0 | 0 | 109 | V1232 R1233 V1235 H1524 L1525 H1583 L1606 M1608 | V1232-L1581 WeakPolarHBondContact CA-O 3.25Å; R1233-L1581 PolarHBondContact N-O 2.99Å; R1233-L1581 PolarHBondContact O-N 3.2Å; V1235-L1581 HydrophobicContact CG2-CB 4.23Å; H1524-L1581 VanDerWaalsContact CE1-CD1 3.41Å; H1524-L1581 WeakPolarHBondContact CE1-CD1 3.39Å; H1524-L1581 WeakPolarHBondContact O-CA 3.03Å; L1525-L1581 HydrophobicContact CD2-CD1 4.13Å; L1581-H1583 VanDerWaalsContact CD2-CE1 3.44Å; L1581-H1583 WeakPolarHBondContact CD2-CE1 3.22Å; L1581-L1606 HydrophobicContact CD1-CB 3.98Å; L1581-L1606 HydrophobicContact CD1-CD1 3.95Å; L1581-L1606 HydrophobicContact CD1-CG 4.46Å; L1581-M1608 HydrophobicContact CB-CE 4.14Å; L1581-M1608 HydrophobicContact CD1-CE 4.02Å; L1581-M1608 HydrophobicContact CD2-CE 3.84Å; L1581-M1608 HydrophobicContact CD2-CG 4.08Å; L1581-M1608 HydrophobicContact CG-CE 4.24Å |
| 1582 | I | 77.2 | Confident | 54.3 | Low | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 109.2 | 161.6 | -58 | -176.6 | 0 | 0 | 0 | 106.6 | L1230 Y1490 L1497 H1524 L1584 | L1230-I1582 HydrophobicContact CD2-CG2 4.37Å; Y1490-I1582 HydrophobicContact CE1-CG2 4.2Å; L1497-I1582 HydrophobicContact CD2-CD1 3.67Å; H1524-I1582 PolarHBondContact CD2-O 3.06Å; H1524-I1582 VanDerWaalsContact CD2-O 3.3Å; H1524-I1582 PolarHBondContact O-N 3.44Å; I1582-L1584 PolarHBondContact O-N 3.44Å |
| 1583 | H | 71.2 | Confident | 54.6 | Low | 32 Ų | 32 | 82.5 Ų | 82.5 | 15% | 0.148 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 105.3 | 172.7 | -87.9 | -60.4 | 0 | 0 | 0 | 109.3 | Q1231 R1233 L1581 | Q1231-H1583 HydrophobicContact CB-CB 3.77Å; Q1231-H1583 PolarHBondContact O-N 2.83Å; R1233-H1583 PolarHBondContact NH1-NE2 3.29Å; L1581-H1583 VanDerWaalsContact CD2-CE1 3.44Å; L1581-H1583 WeakPolarHBondContact CD2-CE1 3.22Å |
| 1584 | L | 66.6 | Low | 54.6 | Low | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 147.5 | 173.5 | -65.2 | 174.3 | 0 | 0 | 0 | 110.9 | S1485 Y1490 H1524 I1582 R1605 | S1485-L1584 WeakPolarHBondContact OG-CD1 3.43Å; Y1490-L1584 HydrophobicContact CE2-CD2 4.14Å; H1524-L1584 HydrophobicContact CB-CD1 4.03Å; H1524-L1584 HydrophobicContact CB-CG 4.38Å; I1582-L1584 PolarHBondContact O-N 3.44Å; L1584-R1605 PolarHBondContact O-NH1 3.16Å; L1584-R1605 PolarHBondContact O-NH2 3.33Å |
| 1585 | P | 60.9 | Low | 54.4 | Low | 22 Ų | 22 | 79 Ų | 79 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 152.9 | 178.6 | -21.5 | 29.2 | 0 | 0 | 0 | 113.1 | Y1488 R1605 | Y1488-P1585 HydrophobicContact CD2-CG 3.68Å; Y1488-P1585 HydrophobicContact CE2-CB 4.47Å; Y1488-P1585 HydrophobicContact CE2-CG 3.55Å; P1585-R1605 PolarHBondContact O-NH2 2.92Å |
| 1586 | Q | 54.8 | Low | 53.7 | Low | 160 Ų | 160 | 78.4 Ų | 78.4 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 117.9 | 166.4 | -73.4 | -172.2 | -16.4 | 0 | 0 | 109.7 | S1588 | Q1586-S1588 PolarHBondContact O-N 3.34Å; Q1586-S1588 VanDerWaalsContact O-N 3.08Å |
| 1587 | T | 48.9 | Very low | 53 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 58% | 0.583 | 40% | 0.403 | S | S | * | . | trans | -77.7 | 86.6 | 172.3 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1588 | S | 37.3 | Very low | 51.5 | Low | 105 Ų | 105 | 79 Ų | 79 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | trans | -67.8 | 129.6 | 173.8 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | Q1586 S1590 | Q1586-S1588 PolarHBondContact O-N 3.34Å; Q1586-S1588 VanDerWaalsContact O-N 3.08Å; S1588-S1590 PolarHBondContact O-N 2.95Å | ||
| 1589 | D | 36.3 | Very low | 50.3 | Low | 129 Ų | 129 | 78.7 Ų | 78.7 | 69% | 0.69 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 55.3 | 23.6 | 165 | -81.5 | -66 | 0 | 0 | 0 | 120.3 | K1591 | D1589-K1591 PolarHBondContact O-N 2.99Å; D1589-K1591 WeakPolarHBondContact OD1-CE 3.17Å; D1589-K1591 IonicContact OD1-NZ 3.95Å; D1589-K1591 PolarHBondContact OD1-NZ 2.83Å |
| 1590 | S | 37.6 | Very low | 48.5 | Very low | 57 Ų | 57 | 78.4 Ų | 78.4 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | trans | -77.2 | 66.4 | 164 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | S1588 E1592 S1594 | S1588-S1590 PolarHBondContact O-N 2.95Å; S1590-E1592 PolarHBondContact O-N 2.91Å; S1590-E1592 VanDerWaalsContact O-N 3.09Å; S1590-S1594 PolarHBondContact O-N 2.89Å; S1590-S1594 PolarHBondContact O-OG 3.3Å | ||
| 1591 | K | 37.9 | Very low | 47.3 | Very low | 154 Ų | 154 | 80.7 Ų | 80.7 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.6 | -179.4 | -81 | 174.4 | 178.4 | 139.1 | 0 | 115.5 | D1589 | D1589-K1591 PolarHBondContact O-N 2.99Å; D1589-K1591 WeakPolarHBondContact OD1-CE 3.17Å; D1589-K1591 IonicContact OD1-NZ 3.95Å; D1589-K1591 PolarHBondContact OD1-NZ 2.83Å |
| 1592 | E | 39.1 | Very low | 46.1 | Very low | 177 Ų | 177 | 90 Ų | 90 | 83% | 0.827 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -48.5 | 179.7 | -61.4 | -169.8 | 129.4 | 0 | 0 | 112.7 | S1590 S1594 | S1590-E1592 PolarHBondContact O-N 2.91Å; S1590-E1592 VanDerWaalsContact O-N 3.09Å; E1592-S1594 VanDerWaalsContact C-N 3.34Å; E1592-S1594 PolarHBondContact O-N 2.9Å |
| 1593 | M | 37.3 | Very low | 45.3 | Very low | 101 Ų | 101 | 92.5 Ų | 92.5 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -70.4 | -26.9 | 178.7 | -75.1 | -178.4 | 68.1 | 0 | 0 | 113.8 | Y1486 K1595 Q1596 | Y1486-M1593 HydrophobicContact CE1-CE 4.46Å; Y1486-M1593 HydrophobicContact CE2-CE 4.32Å; M1593-K1595 PolarHBondContact O-N 3.4Å; M1593-Q1596 PolarHBondContact O-N 3.46Å; M1593-Q1596 VanDerWaalsContact O-N 3.16Å |
| 1594 | S | 33.9 | Very low | 45.4 | Very low | 82 Ų | 82 | 92.7 Ų | 92.7 | 57% | 0.573 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -65.5 | -1.9 | -176.6 | 42.6 | 0 | 0 | 0 | 0 | 115.2 | S1590 E1592 | S1590-S1594 PolarHBondContact O-N 2.89Å; S1590-S1594 PolarHBondContact O-OG 3.3Å; E1592-S1594 VanDerWaalsContact C-N 3.34Å; E1592-S1594 PolarHBondContact O-N 2.9Å |
| 1595 | K | 35.3 | Very low | 45.8 | Very low | 177 Ų | 177 | 96.7 Ų | 96.7 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -94.1 | -13.5 | 173.6 | -75.8 | -175.1 | 176.2 | 177.2 | 0 | 115.5 | M1593 | M1593-K1595 PolarHBondContact O-N 3.4Š|
| 1596 | Q | 34.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -45.1 | -170.9 | -68 | -178.7 | -76.3 | 0 | 0 | 113.7 | M1593 V1598 | M1593-Q1596 PolarHBondContact O-N 3.46Å; M1593-Q1596 VanDerWaalsContact O-N 3.16Å; Q1596-V1598 PolarHBondContact O-N 3.27Å |
| 1597 | Q | 37.9 | Very low | 47.7 | Very low | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 47% | 0.472 | S | S | * | . | trans | -92.3 | 73.9 | -179.1 | -69.1 | -171.1 | -13.2 | 0 | 0 | 113.2 | S1599 | Q1597-S1599 VanDerWaalsContact C-N 3.33Å; Q1597-S1599 PolarHBondContact O-N 2.92Å | ||
| 1598 | V | 34.3 | Very low | 48.9 | Very low | 54 Ų | 54 | 89.7 Ų | 89.7 | 33% | 0.327 | 45% | 0.449 | S | S | . | . | trans | -88.3 | 74.7 | 167.9 | -168.5 | 0 | 0 | 0 | 0 | 110 | N1343 Q1596 | N1343-V1598 WeakPolarHBondContact OD1-CB 3.35Å; N1343-V1598 WeakPolarHBondContact OD1-CG1 3.49Å; Q1596-V1598 PolarHBondContact O-N 3.27Å | ||
| 1599 | S | 43.9 | Very low | 49.8 | Very low | 44 Ų | 44 | 87.1 Ų | 87.1 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | trans | -66.2 | 146.5 | 169.4 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | Q1597 L1601 | Q1597-S1599 VanDerWaalsContact C-N 3.33Å; Q1597-S1599 PolarHBondContact O-N 2.92Å; S1599-L1601 PolarHBondContact O-N 3.21Å; S1599-L1601 VanDerWaalsContact O-N 3.16Å; S1599-L1601 WeakPolarHBondContact OG-CB 3.44Å; S1599-L1601 PolarHBondContact OG-N 2.88Å | ||
| 1600 | A | 39.8 | Very low | 50.4 | Low | 1 Ų | 1 | 89.7 Ų | 89.7 | 1% | 0.008 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -60.7 | -17.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1292 M1339 | A1292-A1600 PolarHBondContact N-O 3.42Å; M1339-A1600 HydrophobicContact CE-CB 3.87Å; M1339-A1600 HydrophobicContact SD-CB 4.28Å |
| 1601 | L | 50.1 | Low | 50.3 | Low | 52 Ų | 52 | 95 Ų | 95 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | trans | -95.9 | 79.9 | 170.3 | -57.7 | 172.1 | 0 | 0 | 0 | 110.6 | E1289 C1337 S1599 S1603 | E1289-L1601 VanDerWaalsContact CD-CD2 3.5Å; E1289-L1601 HydrophobicContact CG-CD2 3.5Å; E1289-L1601 VanDerWaalsContact CG-CD2 3.5Å; E1289-L1601 WeakPolarHBondContact OE1-CD1 3.27Å; C1337-L1601 VanDerWaalsContact SG-CD2 3.55Å; S1599-L1601 PolarHBondContact O-N 3.21Å; S1599-L1601 VanDerWaalsContact O-N 3.16Å; S1599-L1601 WeakPolarHBondContact OG-CB 3.44Å; S1599-L1601 PolarHBondContact OG-N 2.88Å; L1601-S1603 PolarHBondContact O-N 3.41Å | ||
| 1602 | R | 53.4 | Low | 49.9 | Very low | 197 Ų | 197 | 92.3 Ų | 92.3 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | trans | -71.9 | 108 | 150.5 | -74.6 | -174.4 | 176.1 | 171.3 | 2.3 | 107 | R1604 | R1602-R1604 PolarHBondContact O-N 3.42Š| ||
| 1603 | S | 60.6 | Low | 49.8 | Very low | 55 Ų | 55 | 91.8 Ų | 91.8 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | trans | -54.2 | 100.5 | 176.1 | -73.9 | 0 | 0 | 0 | 0 | 110.9 | D1522 L1601 | D1522-S1603 VanDerWaalsContact OD2-CB 3.26Å; D1522-S1603 WeakPolarHBondContact OD2-CB 3.31Å; D1522-S1603 PolarHBondContact OD2-OG 3.28Å; L1601-S1603 PolarHBondContact O-N 3.41Å | ||
| 1604 | R | 72.7 | Confident | 49.6 | Very low | 37 Ų | 37 | 95.4 Ų | 95.4 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | trans | -68.9 | 141.5 | 176.4 | -65.6 | -165.9 | -173.3 | 97.4 | 2 | 109.7 | V1252 L1253 A1290 L1291 E1293 H1524 R1602 | V1252-R1604 HydrophobicContact CB-CB 3.9Å; V1252-R1604 WeakPolarHBondContact CB-O 3.5Å; V1252-R1604 HydrophobicContact CG1-CB 3.55Å; V1252-R1604 PolarHBondContact O-NH1 2.75Å; L1253-R1604 WeakPolarHBondContact O-CD 3.48Å; L1253-R1604 PolarHBondContact O-NE 3.5Å; L1253-R1604 VanDerWaalsContact O-NE 3.15Å; L1253-R1604 PolarHBondContact O-NH1 3.17Å; A1290-R1604 VanDerWaalsContact CB-NH1 3.32Å; A1290-R1604 PolarHBondContact O-NH1 3.45Å; L1291-R1604 PolarHBondContact O-NH1 2.85Å; L1291-R1604 PolarHBondContact O-NH2 2.87Å; E1293-R1604 IonicContact OE1-NE 2.69Å; E1293-R1604 PolarHBondContact OE1-NE 2.9Å; H1524-R1604 PolarHBondContact CE1-O 2.97Å; R1602-R1604 PolarHBondContact O-N 3.42Å | ||
| 1605 | R | 75.5 | Confident | 49.4 | Very low | 89 Ų | 89 | 95.4 Ų | 95.4 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | trans | -110.4 | 140.6 | -177.3 | -61.8 | -175.7 | -176.9 | -152.5 | -4 | 110.7 | L1584 P1585 | L1584-R1605 PolarHBondContact O-NH1 3.16Å; L1584-R1605 PolarHBondContact O-NH2 3.33Å; P1585-R1605 PolarHBondContact O-NH2 2.92Å | ||
| 1606 | L | 79.6 | Confident | 49 | Very low | 2 Ų | 2 | 92.9 Ų | 92.9 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | trans | -86.9 | 120.3 | 173.7 | -68.2 | 162.7 | 0 | 0 | 0 | 108.8 | V1252 D1254 E1255 F1258 I1271 L1525 L1581 M1608 | V1252-L1606 HydrophobicContact CB-CG 4.47Å; V1252-L1606 HydrophobicContact CG1-CD2 3.8Å; V1252-L1606 HydrophobicContact CG1-CG 3.8Å; V1252-L1606 HydrophobicContact CG2-CD1 3.93Å; V1252-L1606 HydrophobicContact CG2-CG 3.85Å; D1254-L1606 WeakPolarHBondContact O-CD2 3.34Å; E1255-L1606 CarbonylContact O-C 3.5Å; E1255-L1606 WeakPolarHBondContact O-CA 3.31Å; F1258-L1606 HydrophobicContact CB-CD1 4.3Å; F1258-L1606 HydrophobicContact CB-CD2 4.38Å; F1258-L1606 HydrophobicContact CD1-CD1 4.06Å; F1258-L1606 HydrophobicContact CD1-CD2 4.46Å; F1258-L1606 HydrophobicContact CG-CD1 4.4Å; I1271-L1606 HydrophobicContact CD1-CB 4.36Å; I1271-L1606 HydrophobicContact CD1-CD1 3.87Å; I1271-L1606 HydrophobicContact CD1-CD2 3.89Å; I1271-L1606 HydrophobicContact CD1-CG 4.26Å; L1525-L1606 HydrophobicContact CD1-CD1 4.2Å; L1525-L1606 HydrophobicContact CD2-CD1 3.81Å; L1525-L1606 HydrophobicContact CG-CD1 4.26Å; L1581-L1606 HydrophobicContact CD1-CB 3.98Å; L1581-L1606 HydrophobicContact CD1-CD1 3.95Å; L1581-L1606 HydrophobicContact CD1-CG 4.46Å; L1606-M1608 HydrophobicContact CB-CE 3.82Å; L1606-M1608 HydrophobicContact CD1-CE 4.34Å; L1606-M1608 PolarHBondContact O-N 3.44Å | ||
| 1607 | Q | 76.3 | Confident | 48.7 | Very low | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | trans | -82.4 | 95.2 | 173.6 | -173.1 | 172.9 | 11.3 | 0 | 0 | 109.2 | E1255 Y1256 | E1255-Q1607 HydrophobicContact CB-CB 4.42Å; E1255-Q1607 PolarHBondContact O-N 3.19Å; Y1256-Q1607 HydrophobicContact CE1-CB 4Å; Y1256-Q1607 HydrophobicContact CE1-CG 4.35Å; Y1256-Q1607 PolarHBondContact OH-OE1 3.46Å | ||
| 1608 | M | 72.5 | Confident | 48.2 | Very low | 21 Ų | 21 | 91.3 Ų | 91.3 | 10% | 0.103 | 50% | 0.503 | C | S | . | . | trans | -60.7 | 132.1 | 173.4 | -64.8 | -61.5 | 149.9 | 0 | 0 | 110.3 | V1235 I1271 L1581 L1606 Q1610 | V1235-M1608 HydrophobicContact CB-CE 4.34Å; V1235-M1608 HydrophobicContact CG1-CE 4.05Å; V1235-M1608 HydrophobicContact CG1-SD 4.45Å; V1235-M1608 HydrophobicContact CG2-CE 3.75Å; I1271-M1608 HydrophobicContact CD1-CE 3.86Å; I1271-M1608 HydrophobicContact CD1-SD 4.47Å; I1271-M1608 HydrophobicContact CG2-SD 4.3Å; L1581-M1608 HydrophobicContact CB-CE 4.14Å; L1581-M1608 HydrophobicContact CD1-CE 4.02Å; L1581-M1608 HydrophobicContact CD2-CE 3.84Å; L1581-M1608 HydrophobicContact CD2-CG 4.08Å; L1581-M1608 HydrophobicContact CG-CE 4.24Å; L1606-M1608 HydrophobicContact CB-CE 3.82Å; L1606-M1608 HydrophobicContact CD1-CE 4.34Å; L1606-M1608 PolarHBondContact O-N 3.44Å; M1608-Q1610 PolarHBondContact O-N 3.39Å | ||
| 1609 | P | 57.1 | Low | 47.9 | Very low | 52 Ų | 52 | 100.3 Ų | 100.3 | 34% | 0.338 | 53% | 0.531 | S | S | . | . | trans | -64 | 130 | 179.7 | 25.8 | -33.5 | 0 | 0 | 0 | 110.8 | F1611 | P1609-F1611 HydrophobicContact CG-CE2 4.23Å; P1609-F1611 HydrophobicContact CG-CZ 4.27Å; P1609-F1611 PolarHBondContact O-N 3.23Å | ||
| 1610 | Q | 48.6 | Very low | 47 | Very low | 182 Ų | 182 | 106 Ų | 106 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | trans | -78.7 | 105.3 | 173.1 | -70.5 | -176.5 | -12.4 | 0 | 0 | 109.7 | M1608 S1612 | M1608-Q1610 PolarHBondContact O-N 3.39Å; Q1610-S1612 PolarHBondContact O-N 3.02Å | ||
| 1611 | F | 36.7 | Very low | 46.2 | Very low | 168 Ų | 168 | 118.1 Ų | 118.1 | 74% | 0.737 | 60% | 0.6 | S | S | * | * | trans | -71.4 | 96.2 | 172.9 | -66.1 | -79.2 | 0 | 0 | 0 | 110.7 | P1609 I1613 | P1609-F1611 HydrophobicContact CG-CE2 4.23Å; P1609-F1611 HydrophobicContact CG-CZ 4.27Å; P1609-F1611 PolarHBondContact O-N 3.23Å; F1611-I1613 PolarHBondContact O-N 3.37Å | ||
| 1612 | S | 28.3 | Very low | 45.1 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | trans | -69.9 | 118.1 | 171 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | Q1610 F1614 | Q1610-S1612 PolarHBondContact O-N 3.02Å; S1612-F1614 PolarHBondContact O-N 2.95Å; S1612-F1614 VanDerWaalsContact O-N 3.09Å | ||
| 1613 | I | 37.1 | Very low | 43.7 | Very low | 165 Ų | 165 | 119.5 Ų | 119.5 | 85% | 0.846 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59 | -25.2 | -174.8 | -70 | 172.7 | 0 | 0 | 0 | 113.2 | F1611 G1615 | F1611-I1613 PolarHBondContact O-N 3.37Å; I1613-G1615 PolarHBondContact O-N 3.31Å |
| 1614 | F | 33 | Very low | 42.2 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.2 | 100.4 | 171.4 | -72.3 | -79.7 | 0 | 0 | 0 | 111.3 | S1612 V1616 | S1612-F1614 PolarHBondContact O-N 2.95Å; S1612-F1614 VanDerWaalsContact O-N 3.09Å; F1614-V1616 VanDerWaalsContact C-N 3.3Å; F1614-V1616 PolarHBondContact O-N 3.28Å |
| 1615 | G | 29.1 | Very low | 39.9 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | trans | -69 | 78.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1613 | I1613-G1615 PolarHBondContact O-N 3.31Š| ||
| 1616 | V | 28.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -106.8 | 120 | 167.4 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | F1614 G1618 | F1614-V1616 VanDerWaalsContact C-N 3.3Å; F1614-V1616 PolarHBondContact O-N 3.28Å; V1616-G1618 PolarHBondContact O-N 3.09Å | ||
| 1617 | T | 27.4 | Very low | 35 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | trans | -72 | 85.6 | -177.4 | 38.6 | 0 | 0 | 0 | 0 | 111.5 | R1619 | T1617-R1619 PolarHBondContact O-N 3.06Š| ||
| 1618 | G | 26.8 | Very low | 32.5 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -53.4 | 109.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1616 M1620 | V1616-G1618 PolarHBondContact O-N 3.09Å; G1618-M1620 PolarHBondContact O-N 3.36Å | ||
| 1619 | R | 28 | Very low | 30.2 | Very low | 243 Ų | 243 | 155.5 Ų | 155.5 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -51.3 | 133.8 | 178.8 | -94.9 | -176.2 | 168.7 | -170.1 | -2.3 | 111 | T1617 R1621 | T1617-R1619 PolarHBondContact O-N 3.06Å; R1619-R1621 PolarHBondContact O-N 2.86Å | ||
| 1620 | M | 25.7 | Very low | 28.7 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -56 | 106.2 | -178.6 | -58.5 | 176.7 | 84.4 | 0 | 0 | 112.3 | G1618 K1622 | G1618-M1620 PolarHBondContact O-N 3.36Å; M1620-K1622 VanDerWaalsContact C-N 3.28Å; M1620-K1622 HydrophobicContact CB-CG 4.47Å; M1620-K1622 PolarHBondContact O-N 3.2Å | ||
| 1621 | R | 24 | Very low | 27.5 | Very low | 254 Ų | 254 | 158 Ų | 158 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -73.8 | 88.9 | 152.8 | -92.6 | -174.8 | 168.7 | 162.8 | -2 | 108 | R1619 | R1619-R1621 PolarHBondContact O-N 2.86Š| ||
| 1622 | K | 25.9 | Very low | 27 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -56.4 | 139.4 | 169.4 | -69.3 | -176.3 | 176.7 | -178.8 | 0 | 109.2 | M1620 S1624 | M1620-K1622 VanDerWaalsContact C-N 3.28Å; M1620-K1622 HydrophobicContact CB-CG 4.47Å; M1620-K1622 PolarHBondContact O-N 3.2Å; K1622-S1624 PolarHBondContact O-N 3.13Å | ||
| 1623 | S | 25.2 | Very low | 26.8 | Very low | 107 Ų | 107 | 160.1 Ų | 160.1 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -57.7 | 127.3 | 175.5 | -177 | 0 | 0 | 0 | 0 | 110.4 | R1625 | S1623-R1625 PolarHBondContact O-N 2.98Š| ||
| 1624 | S | 27.6 | Very low | 26.3 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -80.1 | 45.5 | -170.5 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | K1622 | K1622-S1624 PolarHBondContact O-N 3.13Š|
| 1625 | R | 25.8 | Very low | 25.9 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 66% | 0.664 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -134.2 | 35.4 | -178.7 | -73.1 | -165.5 | 174.9 | -162.6 | -2.1 | 114.7 | S1623 | S1623-R1625 PolarHBondContact O-N 2.98Š|
| 1626 | F | 26.3 | Very low | 25.7 | Very low | 207 Ų | 207 | 160.7 Ų | 160.7 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | trans | -152 | 75.6 | 157 | -85 | -64.9 | 0 | 0 | 0 | 109.5 | ||||
| 1627 | N | 25 | Very low | 25.6 | Very low | 164 Ų | 164 | 160.8 Ų | 160.8 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | trans | -146.8 | 82.2 | 174.4 | -109.3 | 12.4 | 0 | 0 | 0 | 109 | ||||
| 1628 | L | 24.4 | Very low | 25.6 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -160.4 | 72.1 | 172.3 | -135.1 | 166.1 | 0 | 0 | 0 | 109.6 | ||||
| 1629 | Y | 23.9 | Very low | 25.5 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 95% | 0.945 | 83% | 0.832 | S | S | * | * | trans | 177.5 | 77.6 | 159 | -88.9 | -55.7 | 0 | 0 | 0 | 107.5 | ||||
| 1630 | S | 25 | Very low | 25.3 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -162.7 | 81.9 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1631 | L | 24.7 | Very low | 25.4 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -171.8 | 133.2 | 175.3 | -122.2 | 162.4 | 0 | 0 | 0 | 105.5 | ||||
| 1632 | V | 25.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | 70.1 | 118.9 | -157.4 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1633 | E | 25.1 | Very low | 25.4 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | cis | -120.7 | 147.4 | 14.1 | -63.1 | 176.6 | 125.2 | 0 | 0 | 113.5 | ||||
| 1634 | D | 26.4 | Very low | 25.4 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -126.2 | 102.6 | 169.9 | -110.8 | -35.9 | 0 | 0 | 0 | 108.1 | ||||
| 1635 | S | 23.8 | Very low | 26.3 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -170.9 | 112.4 | 163.4 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1636 | L | 24.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | -179.8 | 129.5 | 119.6 | -100.1 | 167.6 | 0 | 0 | 0 | 113.7 | |||||
| 1637 | S | 26.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 148 Ų | 148 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | trans | 64.4 | 148.8 | 167.9 | 76.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1638 | G | 27 | Very low | 26.4 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | trans | 161 | -11.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1639 | T | 25.8 | Very low | 26.6 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | 57.9 | 133.7 | 170.4 | 51.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1640 | S | 22.3 | Very low | 26.6 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | 31.9 | 126.6 | 150.1 | 56.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1641 | H | 28.5 | Very low | 26.9 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 89% | 0.889 | 81% | 0.811 | S | S | * | * | -146.4 | 154.1 | 50.6 | -82.7 | -95.1 | 0 | 0 | 0 | 112.3 | |||||
| 1642 | G | 24.1 | Very low | 26.9 | Very low | 74 Ų | 74 | 151.2 Ų | 151.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -106 | 162.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1643 | I | 26.5 | Very low | 26.8 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -142.5 | 150 | 151.2 | -94.8 | 156.4 | 0 | 0 | 0 | 106.8 | ||||
| 1644 | S | 24.8 | Very low | 26.9 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 174.8 | -178.7 | -138.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1645 | P | 47 | Very low | 26.8 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -134.3 | -146.6 | -0.1 | 33.7 | -9.3 | 0 | 0 | 0 | 112.7 | ||||
| 1646 | E | 26.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 79.3 | 89.3 | 163 | -52.8 | -151.9 | 148.4 | 0 | 0 | 120.8 | ||||
| 1647 | R | 29 | Very low | 26.9 | Very low | 253 Ų | 253 | 148.6 Ų | 148.6 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | -157.4 | 140.8 | 96.4 | -132 | 172.2 | -172.6 | 157.2 | 4.9 | 112.8 | |||||
| 1648 | V | 24.2 | Very low | 27 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -120.7 | 136 | -175.7 | 180 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1649 | R | 27.3 | Very low | 27 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | 158.3 | 118.7 | 144.2 | -86.7 | 156.9 | -172.2 | -166.8 | 1.7 | 108.9 | ||||
| 1650 | N | 24.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | 80.6 | 104.6 | 61.5 | -73.3 | -4 | 0 | 0 | 0 | 114 | |||||
| 1651 | F | 31.1 | Very low | 28.5 | Very low | 214 Ų | 214 | 161 Ų | 161 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | 174.1 | 104.8 | 148.1 | -86.5 | -60.6 | 0 | 0 | 0 | 105.5 | ||||
| 1652 | R | 23.2 | Very low | 28.2 | Very low | 229 Ų | 229 | 156.6 Ų | 156.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | 86.7 | 88.2 | 24.1 | -142.8 | -162.6 | -169.7 | -168.7 | 4.3 | 116.1 | ||||
| 1653 | S | 24.3 | Very low | 28.6 | Very low | 92 Ų | 92 | 158.6 Ų | 158.6 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | 55.2 | 126.3 | 142.7 | 66.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1654 | Q | 27.7 | Very low | 28.5 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 158.3 | 164.5 | 124.2 | -88.3 | 173.4 | 5.5 | 0 | 0 | 111.1 | |||||
| 1655 | S | 24.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 159.6 Ų | 159.6 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | cis | -175.2 | 158 | -45.7 | 59 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1656 | Q | 25 | Very low | 27.4 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 73.3 | 122.4 | 158.1 | -61.9 | -170 | 1.9 | 0 | 0 | 121.6 | ||||
| 1657 | H | 25 | Very low | 27.2 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | 32.3 | 134 | 132.9 | -52.9 | -72.6 | 0 | 0 | 0 | 122.7 | ||||
| 1658 | R | 29.2 | Very low | 27.1 | Very low | 252 Ų | 252 | 151.5 Ų | 151.5 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | -151.2 | 154.3 | 114.3 | -109.9 | 169.8 | -173.5 | -164.5 | -0.1 | 111.6 | |||||
| 1659 | T | 27.7 | Very low | 27 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -128.4 | -160.7 | -173.5 | 64 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1660 | P | 50.2 | Low | 26.9 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -118.4 | 170.8 | -133.1 | 33.6 | -12.2 | 0 | 0 | 0 | 115.9 | ||||
| 1661 | Q | 27.9 | Very low | 27.1 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 176.8 | 165.2 | 161.5 | -100.3 | 159.2 | 11.7 | 0 | 0 | 109.9 | ||||
| 1662 | S | 23.6 | Very low | 27.8 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -178 | 114.1 | -41.6 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1663 | S | 30.7 | Very low | 28 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -174.5 | 124.6 | 164.3 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1664 | V | 25.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | cis | 96.1 | 109.7 | 41.6 | 171.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1665 | Q | 23.9 | Very low | 28.3 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 66.5 | 151.3 | 159.4 | -74 | 164.4 | 0.9 | 0 | 0 | 118.1 | ||||
| 1666 | S | 24.3 | Very low | 28.5 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | cis | -155.4 | 145.8 | -2.3 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1667 | T | 22.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 27.9 | 124 | 148 | 58.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1668 | V | 26.9 | Very low | 28.7 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | -168.6 | 140.9 | 111 | 144.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1669 | S | 22.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -78 | 149.9 | 178.5 | -44.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1670 | L | 24.5 | Very low | 28.7 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | 53.3 | 126.8 | 55.8 | -64.8 | 176.4 | 0 | 0 | 0 | 111.9 | |||||
| 1671 | N | 28.9 | Very low | 27.7 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | cis | -144.1 | 177.8 | 35.8 | -112.2 | -6.9 | 0 | 0 | 0 | 114 | ||||
| 1672 | P | 46.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | trans | -111.5 | -174.2 | -170 | 43.8 | -36.9 | 0 | 0 | 0 | 114.1 | ||||
| 1673 | T | 28 | Very low | 27.8 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | -168.8 | 117.4 | 127.6 | 26 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1674 | S | 28.9 | Very low | 27.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -171.3 | 70.9 | 155.1 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1675 | G | 28.1 | Very low | 27.5 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 166 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1676 | T | 27.9 | Very low | 27.6 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | cis | -144.4 | 103.4 | 8.9 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1677 | S | 27.1 | Very low | 27.6 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -127.4 | 68.9 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1678 | R | 28.1 | Very low | 27.7 | Very low | 238 Ų | 238 | 127.2 Ų | 127.2 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -134.5 | 34.8 | 176.8 | -87.2 | -163.8 | 174.3 | -166.2 | 0 | 114.9 | ||||
| 1679 | I | 28.8 | Very low | 27.6 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -120.8 | 36.8 | 163.9 | -40.6 | -176.5 | 0 | 0 | 0 | 110.3 | ||
| 1680 | S | 27.6 | Very low | 27.8 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 50% | 0.503 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -120.4 | -1.8 | 178.7 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1681 | N | 29.6 | Very low | 27.7 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -101.2 | 16.4 | 174.6 | -81.6 | -3.1 | 0 | 0 | 0 | 113.3 | ||
| 1682 | L | 27.3 | Very low | 27.6 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -110.1 | 139.8 | 160 | -67 | 174.1 | 0 | 0 | 0 | 107.3 | ||
| 1683 | I | 27.1 | Very low | 26.6 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 67.4 | 45.9 | 179.5 | -32.5 | 177.1 | 0 | 0 | 0 | 115.7 | ||
| 1684 | S | 22.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -163.7 | 37.8 | 155.4 | 49 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1685 | G | 25.7 | Very low | 26.2 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -124.5 | 125.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1687 | G1685-S1687 PolarHBondContact O-N 3.13Š|
| 1686 | P | 27 | Very low | 26.2 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 126.9 | 178 | 28 | -33 | 0 | 0 | 0 | 110.2 | D1688 | P1686-D1688 PolarHBondContact O-N 3.31Å; P1686-D1688 VanDerWaalsContact O-N 3.16Å | ||
| 1687 | S | 24.6 | Very low | 26.5 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -57.4 | 119.5 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | G1685 F1689 | G1685-S1687 PolarHBondContact O-N 3.13Å; S1687-F1689 VanDerWaalsContact C-N 3.26Å; S1687-F1689 WeakPolarHBondContact O-CD2 3.21Å; S1687-F1689 PolarHBondContact O-N 2.65Å | ||
| 1688 | D | 23.6 | Very low | 26.6 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -70.9 | 77.2 | -177 | -157.5 | 27 | 0 | 0 | 0 | 109.7 | P1686 R1690 | P1686-D1688 PolarHBondContact O-N 3.31Å; P1686-D1688 VanDerWaalsContact O-N 3.16Å; D1688-R1690 PolarHBondContact O-N 2.79Å; D1688-R1690 IonicContact OD2-CZ 2.93Å; D1688-R1690 VanDerWaalsContact OD2-CZ 3.26Å; D1688-R1690 IonicContact OD2-NE 2.86Å; D1688-R1690 PolarHBondContact OD2-NE 2.77Å; D1688-R1690 IonicContact OD2-NH2 2.7Å; D1688-R1690 PolarHBondContact OD2-NH2 3.32Å | ||
| 1689 | F | 25.3 | Very low | 26.6 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -70 | 66.1 | 174.8 | -82.6 | -75.7 | 0 | 0 | 0 | 111 | S1687 H1691 | S1687-F1689 VanDerWaalsContact C-N 3.26Å; S1687-F1689 WeakPolarHBondContact O-CD2 3.21Å; S1687-F1689 PolarHBondContact O-N 2.65Å; F1689-H1691 PolarHBondContact O-N 3.47Å | ||
| 1690 | R | 25.7 | Very low | 26.5 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | -54 | 135.6 | 170.1 | -65 | -178.2 | -176.3 | -168.5 | -0.5 | 109 | D1688 I1692 | D1688-R1690 PolarHBondContact O-N 2.79Å; D1688-R1690 IonicContact OD2-CZ 2.93Å; D1688-R1690 VanDerWaalsContact OD2-CZ 3.26Å; D1688-R1690 IonicContact OD2-NE 2.86Å; D1688-R1690 PolarHBondContact OD2-NE 2.77Å; D1688-R1690 IonicContact OD2-NH2 2.7Å; D1688-R1690 PolarHBondContact OD2-NH2 3.32Å; R1690-I1692 PolarHBondContact O-N 2.59Å | ||
| 1691 | H | 23.6 | Very low | 26.5 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -49 | 97.6 | -172.9 | -63.8 | -90.8 | 0 | 0 | 0 | 113.4 | F1689 S1693 | F1689-H1691 PolarHBondContact O-N 3.47Å; H1691-S1693 VanDerWaalsContact C-N 3.33Å; H1691-S1693 PolarHBondContact O-N 2.78Å | ||
| 1692 | I | 25.7 | Very low | 26.5 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -71 | 97.9 | 160.9 | -60.6 | -178.9 | 0 | 0 | 0 | 105.8 | R1690 H1694 | R1690-I1692 PolarHBondContact O-N 2.59Å; I1692-H1694 PolarHBondContact O-N 3.42Å | ||
| 1693 | S | 25.5 | Very low | 26.8 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | -63.4 | 127.4 | -179.8 | 35.2 | 0 | 0 | 0 | 0 | 110 | H1691 M1695 | H1691-S1693 VanDerWaalsContact C-N 3.33Å; H1691-S1693 PolarHBondContact O-N 2.78Å; S1693-M1695 PolarHBondContact O-N 2.71Å | ||
| 1694 | H | 25.1 | Very low | 27.1 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -67.2 | 97.6 | -176.4 | -76.2 | -100.3 | 0 | 0 | 0 | 111.1 | I1692 G1696 | I1692-H1694 PolarHBondContact O-N 3.42Å; H1694-G1696 PolarHBondContact O-N 2.77Å; H1694-G1696 VanDerWaalsContact O-N 3.08Å | ||
| 1695 | M | 25.2 | Very low | 27.7 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -71.5 | 100.7 | 168.7 | -76.6 | -67.3 | 166 | 0 | 0 | 110.1 | S1693 | S1693-M1695 PolarHBondContact O-N 2.71Š| ||
| 1696 | G | 27.9 | Very low | 28.6 | Very low | 57 Ų | 57 | 132.5 Ų | 132.5 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 167.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1694 | H1694-G1696 PolarHBondContact O-N 2.77Å; H1694-G1696 VanDerWaalsContact O-N 3.08Å |
| 1697 | P | 32.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.6 | -179.8 | -14 | 28.6 | 0 | 0 | 0 | 112 | I1699 | P1697-I1699 PolarHBondContact O-N 2.72Š|
| 1698 | Q | 28.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120.9 | -176.8 | -64.1 | -177.3 | -0.6 | 0 | 0 | 112.1 | ||
| 1699 | I | 28.2 | Very low | 31.9 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | trans | -92.8 | 102.8 | 159.7 | -61.4 | 175.8 | 0 | 0 | 0 | 106.8 | P1697 G1701 | P1697-I1699 PolarHBondContact O-N 2.72Å; I1699-G1701 PolarHBondContact O-N 3.17Å | ||
| 1700 | T | 27.9 | Very low | 33 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -74.3 | 92.6 | 178.8 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1701 | G | 26.7 | Very low | 33.7 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -177.1 | 7.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | I1699 | I1699-G1701 PolarHBondContact O-N 3.17Š|
| 1702 | A | 29.8 | Very low | 34.7 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -149.3 | 144.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1703 | P | 33.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 112 Ų | 112 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -67.3 | 137.4 | -177.8 | 26.5 | -33.5 | 0 | 0 | 0 | 112.1 | ||||
| 1704 | L | 33.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 113 Ų | 113 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | trans | -75.5 | 141.1 | -177.8 | -156.6 | 75.2 | 0 | 0 | 0 | 110.6 | ||||
| 1705 | L | 35.8 | Very low | 38.2 | Very low | 80 Ų | 80 | 109.3 Ų | 109.3 | 42% | 0.419 | 68% | 0.675 | S | S | . | * | trans | -106.4 | 114.5 | 179.9 | -119.4 | 147.5 | 0 | 0 | 0 | 109.3 | V1728 K1732 | L1705-V1728 HydrophobicContact CD1-CG1 3.83Å; L1705-V1728 HydrophobicContact CD2-CG1 3.94Å; L1705-V1728 HydrophobicContact CD2-CG2 3.89Å; L1705-V1728 HydrophobicContact CG-CG1 4.41Å; L1705-K1732 HydrophobicContact CD1-CD 3.99Å; L1705-K1732 VanDerWaalsContact CD1-CE 3.43Å | ||
| 1706 | D | 45.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 103.8 Ų | 103.8 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | trans | -86.4 | 140.3 | 173.5 | -164.2 | -12 | 0 | 0 | 0 | 110.1 | N1708 | D1706-N1708 WeakPolarHBondContact OD1-CB 3.46Å; D1706-N1708 VanDerWaalsContact OD1-CG 3.3Å; D1706-N1708 PolarHBondContact OD1-N 2.78Å; D1706-N1708 PolarHBondContact OD1-ND2 3.12Å | ||
| 1707 | L | 46.3 | Very low | 41.7 | Very low | 57 Ų | 57 | 105.9 Ų | 105.9 | 30% | 0.298 | 65% | 0.65 | S | S | . | * | trans | -116.7 | -2.8 | -179.7 | -68.6 | 172.8 | 0 | 0 | 0 | 112.9 | R1724 F1725 V1728 | L1707-R1724 HydrophobicContact CD2-CB 4.47Å; L1707-R1724 HydrophobicContact CD2-CG 4.35Å; L1707-R1724 PolarHBondContact O-NH1 3.18Å; L1707-F1725 HydrophobicContact CD1-CD2 3.99Å; L1707-V1728 HydrophobicContact CD2-CB 4.49Å; L1707-V1728 HydrophobicContact CD2-CG2 3.89Å | ||
| 1708 | N | 47.6 | Very low | 42.8 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -63.2 | 152.7 | -178.4 | -70.5 | -55.8 | 0 | 0 | 0 | 113.2 | D1706 S1710 R1724 | D1706-N1708 WeakPolarHBondContact OD1-CB 3.46Å; D1706-N1708 VanDerWaalsContact OD1-CG 3.3Å; D1706-N1708 PolarHBondContact OD1-N 2.78Å; D1706-N1708 PolarHBondContact OD1-ND2 3.12Å; N1708-S1710 PolarHBondContact O-N 2.72Å; N1708-R1724 PolarHBondContact O-NH1 2.83Å |
| 1709 | S | 49.8 | Very low | 44.6 | Very low | 39 Ų | 39 | 102.5 Ų | 102.5 | 27% | 0.273 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 137.7 | 170.4 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | P1714 L1716 | S1709-P1714 PolarHBondContact OG-O 3.32Å; S1709-L1716 PolarHBondContact OG-N 3.5Å |
| 1710 | S | 47.6 | Very low | 46.9 | Very low | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 143.2 | 176.8 | -45.3 | 0 | 0 | 0 | 0 | 110 | N1708 G1712 E1713 | N1708-S1710 PolarHBondContact O-N 2.72Å; S1710-G1712 PolarHBondContact O-N 3.05Å; S1710-E1713 PolarHBondContact O-N 3.21Å |
| 1711 | P | 41.7 | Very low | 48.3 | Very low | 144 Ų | 144 | 96.2 Ų | 96.2 | 94% | 0.935 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 112 | -177.8 | -25.7 | 35 | 0 | 0 | 0 | 112.4 | ||
| 1712 | G | 45 | Very low | 50 | Low | 84 Ų | 84 | 97 Ų | 97 | 87% | 0.866 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.9 | -17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1710 | S1710-G1712 PolarHBondContact O-N 3.05Š|
| 1713 | E | 44.4 | Very low | 52 | Low | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -88.6 | 146 | 174.1 | -68.2 | -172.6 | 128.6 | 0 | 0 | 112.2 | S1710 | S1710-E1713 PolarHBondContact O-N 3.21Š|
| 1714 | P | 51.4 | Low | 53.5 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 70% | 0.695 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 155.7 | 176.4 | 26 | -33.9 | 0 | 0 | 0 | 112.4 | S1709 L1716 | S1709-P1714 PolarHBondContact OG-O 3.32Å; P1714-L1716 PolarHBondContact O-N 3.13Å |
| 1715 | P | 52.4 | Low | 54.9 | Low | 118 Ų | 118 | 91.4 Ų | 91.4 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 126.1 | -172.8 | 25.2 | -34.7 | 0 | 0 | 0 | 112.3 | T1717 | P1715-T1717 PolarHBondContact O-N 3.03Š|
| 1716 | L | 56.5 | Low | 56 | Low | 58 Ų | 58 | 93.9 Ų | 93.9 | 30% | 0.304 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 127.3 | -179 | -74 | 168.3 | 0 | 0 | 0 | 112.2 | S1709 P1714 R1721 | S1709-L1716 PolarHBondContact OG-N 3.5Å; P1714-L1716 PolarHBondContact O-N 3.13Å; L1716-R1721 HydrophobicContact CB-CG 4.18Å; L1716-R1721 PolarHBondContact O-NE 3.37Å; L1716-R1721 PolarHBondContact O-NH2 3.1Å; L1716-R1721 VanDerWaalsContact O-NH2 3.12Å |
| 1717 | T | 70.3 | Confident | 56.8 | Low | 100 Ų | 100 | 91.9 Ų | 91.9 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 158.2 | 168.9 | 60 | 0 | 0 | 0 | 0 | 110.7 | P1715 A1719 G1720 R1721 | P1715-T1717 PolarHBondContact O-N 3.03Å; T1717-A1719 VanDerWaalsContact C-N 3.29Å; T1717-A1719 PolarHBondContact O-N 2.96Å; T1717-G1720 WeakPolarHBondContact O-CA 3.48Å; T1717-G1720 PolarHBondContact O-N 3.2Å; T1717-R1721 PolarHBondContact O-N 3.04Å |
| 1718 | E | 57.1 | Low | 57.3 | Low | 139 Ų | 139 | 90.4 Ų | 90.4 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | -175.4 | -170.2 | 159.7 | -165.6 | 0 | 0 | 112.5 | G1720 R1721 I1722 | E1718-G1720 VanDerWaalsContact C-N 3.31Å; E1718-G1720 PolarHBondContact O-N 3.09Å; E1718-R1721 PolarHBondContact O-N 2.96Å; E1718-I1722 HydrophobicContact CG-CD1 4.14Å; E1718-I1722 VanDerWaalsContact O-CG1 3.31Å; E1718-I1722 WeakPolarHBondContact O-CG1 3.39Å; E1718-I1722 PolarHBondContact O-N 3.2Å |
| 1719 | A | 65.3 | Low | 57.2 | Low | 73 Ų | 73 | 88.4 Ų | 88.4 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1717 I1722 A1723 | T1717-A1719 VanDerWaalsContact C-N 3.29Å; T1717-A1719 PolarHBondContact O-N 2.96Å; A1719-I1722 PolarHBondContact O-N 3.27Å; A1719-A1723 WeakPolarHBondContact O-CB 3.08Å; A1719-A1723 PolarHBondContact O-N 3.29Å |
| 1720 | G | 75.9 | Confident | 57.3 | Low | 22 Ų | 22 | 92.2 Ų | 92.2 | 23% | 0.227 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T1717 E1718 A1723 R1724 | T1717-G1720 WeakPolarHBondContact O-CA 3.48Å; T1717-G1720 PolarHBondContact O-N 3.2Å; E1718-G1720 VanDerWaalsContact C-N 3.31Å; E1718-G1720 PolarHBondContact O-N 3.09Å; G1720-A1723 PolarHBondContact O-N 3.42Å; G1720-R1724 PolarHBondContact O-N 3.17Å |
| 1721 | R | 58.7 | Low | 57.3 | Low | 143 Ų | 143 | 96.7 Ų | 96.7 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 173.7 | -84.6 | 179.2 | -88 | 150.2 | -5.7 | 112.4 | L1716 T1717 E1718 R1724 F1725 | L1716-R1721 HydrophobicContact CB-CG 4.18Å; L1716-R1721 PolarHBondContact O-NE 3.37Å; L1716-R1721 PolarHBondContact O-NH2 3.1Å; L1716-R1721 VanDerWaalsContact O-NH2 3.12Å; T1717-R1721 PolarHBondContact O-N 3.04Å; E1718-R1721 PolarHBondContact O-N 2.96Å; R1721-R1724 PolarHBondContact O-N 2.73Å; R1721-F1725 WeakPolarHBondContact O-CB 3.33Å; R1721-F1725 PolarHBondContact O-N 3.24Å |
| 1722 | I | 62 | Low | 57.4 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.4 | -68 | 164.6 | 0 | 0 | 0 | 111 | E1718 A1719 F1725 K1726 | E1718-I1722 HydrophobicContact CG-CD1 4.14Å; E1718-I1722 VanDerWaalsContact O-CG1 3.31Å; E1718-I1722 WeakPolarHBondContact O-CG1 3.39Å; E1718-I1722 PolarHBondContact O-N 3.2Å; A1719-I1722 PolarHBondContact O-N 3.27Å; I1722-F1725 PolarHBondContact O-N 2.88Å; I1722-K1726 PolarHBondContact O-N 2.81Å |
| 1723 | A | 71.1 | Confident | 56.9 | Low | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A1719 G1720 K1726 S1727 | A1719-A1723 WeakPolarHBondContact O-CB 3.08Å; A1719-A1723 PolarHBondContact O-N 3.29Å; G1720-A1723 PolarHBondContact O-N 3.42Å; A1723-K1726 PolarHBondContact O-N 2.83Å; A1723-S1727 WeakPolarHBondContact O-CB 3.24Å; A1723-S1727 PolarHBondContact O-N 2.69Å |
| 1724 | R | 65.2 | Low | 56.3 | Low | 84 Ų | 84 | 93.2 Ų | 93.2 | 32% | 0.317 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177 | -139.8 | 179.7 | -161.6 | -172.5 | 4.3 | 112.1 | L1707 N1708 G1720 R1721 S1727 V1728 | L1707-R1724 HydrophobicContact CD2-CB 4.47Å; L1707-R1724 HydrophobicContact CD2-CG 4.35Å; L1707-R1724 PolarHBondContact O-NH1 3.18Å; N1708-R1724 PolarHBondContact O-NH1 2.83Å; G1720-R1724 PolarHBondContact O-N 3.17Å; R1721-R1724 PolarHBondContact O-N 2.73Å; R1724-S1727 PolarHBondContact O-N 3.35Å; R1724-V1728 WeakPolarHBondContact O-CG2 3.38Å; R1724-V1728 PolarHBondContact O-N 3.14Å |
| 1725 | F | 62.4 | Low | 55.3 | Low | 114 Ų | 114 | 95.9 Ų | 95.9 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.1 | -176.8 | -105.7 | 0 | 0 | 0 | 112.4 | L1707 R1721 I1722 V1728 L1729 | L1707-F1725 HydrophobicContact CD1-CD2 3.99Å; R1721-F1725 WeakPolarHBondContact O-CB 3.33Å; R1721-F1725 PolarHBondContact O-N 3.24Å; I1722-F1725 PolarHBondContact O-N 2.88Å; F1725-V1728 PolarHBondContact O-N 3.01Å; F1725-L1729 HydrophobicContact CD1-CD1 3.91Å; F1725-L1729 HydrophobicContact CE1-CD1 3.45Å; F1725-L1729 VanDerWaalsContact CE1-CD1 3.45Å; F1725-L1729 HydrophobicContact CE1-CG 4.39Å; F1725-L1729 HydrophobicContact CZ-CD1 3.87Å; F1725-L1729 HydrophobicContact CZ-CG 4.45Å; F1725-L1729 PolarHBondContact O-N 3.19Å |
| 1726 | K | 59.9 | Low | 54.2 | Low | 131 Ų | 131 | 95.2 Ų | 95.2 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -48.8 | 171.2 | -79.8 | -170.4 | 173.4 | -171.1 | 0 | 112 | I1722 A1723 V1728 L1729 D1730 | I1722-K1726 PolarHBondContact O-N 2.81Å; A1723-K1726 PolarHBondContact O-N 2.83Å; K1726-V1728 VanDerWaalsContact C-N 3.26Å; K1726-V1728 PolarHBondContact O-N 3.1Å; K1726-L1729 CarbonylContact O-C 3.44Å; K1726-L1729 WeakPolarHBondContact O-CA 3.38Å; K1726-L1729 WeakPolarHBondContact O-CB 3.42Å; K1726-L1729 PolarHBondContact O-N 3.44Å; K1726-D1730 PolarHBondContact O-N 2.84Å |
| 1727 | S | 61.5 | Low | 53.3 | Low | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.8 | -41.5 | 177.9 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | A1723 R1724 D1730 E1731 | A1723-S1727 WeakPolarHBondContact O-CB 3.24Å; A1723-S1727 PolarHBondContact O-N 2.69Å; R1724-S1727 PolarHBondContact O-N 3.35Å; S1727-D1730 PolarHBondContact O-N 3.15Å; S1727-E1731 VanDerWaalsContact O-CB 3.27Å; S1727-E1731 WeakPolarHBondContact O-CB 3.31Å; S1727-E1731 PolarHBondContact O-N 3.3Å |
| 1728 | V | 57.3 | Low | 51.4 | Low | 26 Ų | 26 | 98.6 Ų | 98.6 | 16% | 0.158 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -71.5 | -31.1 | 177 | 167.2 | 0 | 0 | 0 | 0 | 112.5 | L1705 L1707 R1724 F1725 K1726 K1732 | L1705-V1728 HydrophobicContact CD1-CG1 3.83Å; L1705-V1728 HydrophobicContact CD2-CG1 3.94Å; L1705-V1728 HydrophobicContact CD2-CG2 3.89Å; L1705-V1728 HydrophobicContact CG-CG1 4.41Å; L1707-V1728 HydrophobicContact CD2-CB 4.49Å; L1707-V1728 HydrophobicContact CD2-CG2 3.89Å; R1724-V1728 WeakPolarHBondContact O-CG2 3.38Å; R1724-V1728 PolarHBondContact O-N 3.14Å; F1725-V1728 PolarHBondContact O-N 3.01Å; K1726-V1728 VanDerWaalsContact C-N 3.26Å; K1726-V1728 PolarHBondContact O-N 3.1Å; V1728-K1732 WeakPolarHBondContact O-CB 3.36Å; V1728-K1732 PolarHBondContact O-N 3.33Å |
| 1729 | L | 46.6 | Very low | 50.1 | Low | 78 Ų | 78 | 103 Ų | 103 | 41% | 0.408 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.2 | -42.6 | 169.9 | -84.6 | 169.8 | 0 | 0 | 0 | 111.8 | F1725 K1726 E1731 K1732 C1733 | F1725-L1729 HydrophobicContact CD1-CD1 3.91Å; F1725-L1729 HydrophobicContact CE1-CD1 3.45Å; F1725-L1729 VanDerWaalsContact CE1-CD1 3.45Å; F1725-L1729 HydrophobicContact CE1-CG 4.39Å; F1725-L1729 HydrophobicContact CZ-CD1 3.87Å; F1725-L1729 HydrophobicContact CZ-CG 4.45Å; F1725-L1729 PolarHBondContact O-N 3.19Å; K1726-L1729 CarbonylContact O-C 3.44Å; K1726-L1729 WeakPolarHBondContact O-CA 3.38Å; K1726-L1729 WeakPolarHBondContact O-CB 3.42Å; K1726-L1729 PolarHBondContact O-N 3.44Å; L1729-E1731 VanDerWaalsContact C-N 3.25Å; L1729-E1731 PolarHBondContact O-N 2.7Å; L1729-K1732 PolarHBondContact O-N 3.43Å; L1729-C1733 WeakPolarHBondContact O-CA 3.43Å; L1729-C1733 WeakPolarHBondContact O-CB 3.4Å; L1729-C1733 PolarHBondContact O-N 2.92Å |
| 1730 | D | 51 | Low | 48.1 | Very low | 118 Ų | 118 | 105.6 Ų | 105.6 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -26.6 | 177 | -64.7 | -34.6 | 0 | 0 | 0 | 111.6 | K1726 S1727 G1734 | K1726-D1730 PolarHBondContact O-N 2.84Å; S1727-D1730 PolarHBondContact O-N 3.15Å; D1730-G1734 WeakPolarHBondContact O-CA 3.47Å; D1730-G1734 PolarHBondContact O-N 3.03Å |
| 1731 | E | 48.2 | Very low | 45.9 | Very low | 150 Ų | 150 | 108.4 Ų | 108.4 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -81.1 | -41.4 | 175 | -164.4 | 171.9 | -133.5 | 0 | 0 | 112.6 | S1727 L1729 | S1727-E1731 VanDerWaalsContact O-CB 3.27Å; S1727-E1731 WeakPolarHBondContact O-CB 3.31Å; S1727-E1731 PolarHBondContact O-N 3.3Å; L1729-E1731 VanDerWaalsContact C-N 3.25Å; L1729-E1731 PolarHBondContact O-N 2.7Å |
| 1732 | K | 44 | Very low | 44.3 | Very low | 140 Ų | 140 | 109.5 Ų | 109.5 | 61% | 0.609 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.9 | -30.3 | 176.5 | -88.7 | -171.4 | 164.9 | 177.5 | 0 | 114.7 | L1705 V1728 L1729 G1734 | L1705-K1732 HydrophobicContact CD1-CD 3.99Å; L1705-K1732 VanDerWaalsContact CD1-CE 3.43Å; V1728-K1732 WeakPolarHBondContact O-CB 3.36Å; V1728-K1732 PolarHBondContact O-N 3.33Å; L1729-K1732 PolarHBondContact O-N 3.43Å; K1732-G1734 VanDerWaalsContact C-N 3.28Å |
| 1733 | C | 33.3 | Very low | 42.8 | Very low | 88 Ų | 88 | 108.3 Ų | 108.3 | 60% | 0.595 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 33.8 | 169.6 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | L1729 I1735 | L1729-C1733 WeakPolarHBondContact O-CA 3.43Å; L1729-C1733 WeakPolarHBondContact O-CB 3.4Å; L1729-C1733 PolarHBondContact O-N 2.92Å; C1733-I1735 VanDerWaalsContact C-N 3.31Å; C1733-I1735 PolarHBondContact O-N 3.27Å |
| 1734 | G | 32.2 | Very low | 40.7 | Very low | 47 Ų | 47 | 112.9 Ų | 112.9 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | trans | -61.4 | 84.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1730 K1732 S1736 | D1730-G1734 WeakPolarHBondContact O-CA 3.47Å; D1730-G1734 PolarHBondContact O-N 3.03Å; K1732-G1734 VanDerWaalsContact C-N 3.28Å; G1734-S1736 PolarHBondContact O-N 3.36Å | ||
| 1735 | I | 29.5 | Very low | 39.2 | Very low | 162 Ų | 162 | 121 Ų | 121 | 83% | 0.831 | 67% | 0.668 | S | S | * | * | trans | -68.1 | 79.3 | 165.4 | -60.4 | 162.9 | 0 | 0 | 0 | 106.4 | C1733 P1737 | C1733-I1735 VanDerWaalsContact C-N 3.31Å; C1733-I1735 PolarHBondContact O-N 3.27Å; I1735-P1737 WeakPolarHBondContact O-CD 3.41Å | ||
| 1736 | S | 30.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -58.7 | 110.3 | -174.8 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | G1734 | G1734-S1736 PolarHBondContact O-N 3.36Š| ||
| 1737 | P | 37.8 | Very low | 36 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -79.8 | 141.7 | -178.9 | 32.8 | -31.3 | 0 | 0 | 0 | 109.5 | I1735 | I1735-P1737 WeakPolarHBondContact O-CD 3.41Š| ||
| 1738 | N | 30.6 | Very low | 34.5 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 69.9 | 113.6 | -172.4 | -38.8 | -57.3 | 0 | 0 | 0 | 113.9 | ||||
| 1739 | Y | 28.8 | Very low | 33.2 | Very low | 230 Ų | 230 | 131.5 Ų | 131.5 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | -155.9 | 128.1 | 103 | -116.3 | -81 | 0 | 0 | 0 | 109.9 | |||||
| 1740 | C | 23.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -84.2 | 133 | 165.6 | -63.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1741 | G | 29.5 | Very low | 32 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -150.2 | 98.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1742 | D | 26.3 | Very low | 31 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -74 | 161.9 | 175.7 | -175.8 | 19.6 | 0 | 0 | 0 | 111.5 | ||||
| 1743 | G | 29.7 | Very low | 30.1 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 145 | 93.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1744 | N | 26.4 | Very low | 30 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -48.6 | 143.2 | 167 | -75.9 | -77 | 0 | 0 | 0 | 115.4 | ||||
| 1745 | R | 34.8 | Very low | 29.7 | Very low | 254 Ų | 254 | 141.4 Ų | 141.4 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -160.7 | 151 | 135.6 | -107.5 | 158.6 | -152.5 | -120.4 | 2.9 | 112.7 | ||||
| 1746 | R | 26 | Very low | 29.5 | Very low | 254 Ų | 254 | 139.9 Ų | 139.9 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 148.3 | -178.9 | -59.8 | 172.5 | 176.7 | 169.9 | -4.1 | 110.6 | ||||
| 1747 | G | 29.5 | Very low | 29.2 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 173.8 | 124.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1748 | S | 28.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -25.1 | 139.2 | 169 | 48.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1749 | S | 31 | Very low | 28.2 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -65.4 | 167 | 156.2 | -146.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1750 | P | 44.3 | Very low | 28.1 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | cis | -134.1 | -175.2 | 3.4 | 43.9 | -27.6 | 0 | 0 | 0 | 115.7 | ||||
| 1751 | N | 26.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 47.7 | 96.1 | 151.1 | -64 | -5.9 | 0 | 0 | 0 | 119.6 | ||||
| 1752 | N | 27.3 | Very low | 28.2 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -160.7 | 99.5 | 139.5 | -111.8 | -31.7 | 0 | 0 | 0 | 112.5 | ||||
| 1753 | I | 26.2 | Very low | 28.2 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | -130.6 | 126 | 155.8 | -63.8 | -177.2 | 0 | 0 | 0 | 105.4 | ||||
| 1754 | P | 31.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | trans | -81.4 | 137.2 | -160.7 | 30.2 | -35.3 | 0 | 0 | 0 | 113.5 | V1756 | P1754-V1756 PolarHBondContact O-N 3.1Š| ||
| 1755 | N | 24.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -68.3 | 115.6 | 168.4 | -79.4 | -34.5 | 0 | 0 | 0 | 110.3 | S1757 | N1755-S1757 VanDerWaalsContact C-N 3.32Å; N1755-S1757 PolarHBondContact O-N 3.37Å | ||
| 1756 | V | 25.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 82.3 | 170.5 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | P1754 L1758 | P1754-V1756 PolarHBondContact O-N 3.1Å; V1756-L1758 PolarHBondContact O-N 3.44Å; V1756-L1758 VanDerWaalsContact O-N 3.16Å | ||
| 1757 | S | 24 | Very low | 28.3 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -71 | 104.2 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | N1755 H1759 | N1755-S1757 VanDerWaalsContact C-N 3.32Å; N1755-S1757 PolarHBondContact O-N 3.37Å; S1757-H1759 PolarHBondContact O-N 3.22Å | ||
| 1758 | L | 24.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -68.5 | 96.7 | 171.4 | -77.3 | 165.8 | 0 | 0 | 0 | 110.6 | V1756 L1760 | V1756-L1758 PolarHBondContact O-N 3.44Å; V1756-L1758 VanDerWaalsContact O-N 3.16Å; L1758-L1760 PolarHBondContact O-N 3.37Å | ||
| 1759 | H | 23.8 | Very low | 28.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 120.1 | 169.5 | -92.2 | -107 | 0 | 0 | 0 | 110.8 | S1757 | S1757-H1759 PolarHBondContact O-N 3.22Š| ||
| 1760 | L | 26.1 | Very low | 28.3 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -118.8 | 138 | 155.5 | -78.5 | 168 | 0 | 0 | 0 | 108 | L1758 F1762 | L1758-L1760 PolarHBondContact O-N 3.37Å; L1760-F1762 PolarHBondContact O-N 3.23Å | ||
| 1761 | P | 29.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123.9 | -158.1 | 29 | -35.1 | 0 | 0 | 0 | 113.2 | S1763 | P1761-S1763 PolarHBondContact O-N 2.99Š|
| 1762 | F | 25.5 | Very low | 27.3 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.1 | 157.2 | -77.3 | -93.1 | 0 | 0 | 0 | 108.4 | L1760 | L1760-F1762 PolarHBondContact O-N 3.23Š|
| 1763 | S | 27.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 121.2 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 108.7 | P1761 | P1761-S1763 PolarHBondContact O-N 2.99Š|
| 1764 | D | 28.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.6 | -163.9 | -153.3 | -36.5 | 0 | 0 | 0 | 112.6 | N1766 | D1764-N1766 PolarHBondContact O-N 3.33Å; D1764-N1766 PolarHBondContact OD1-ND2 2.91Å |
| 1765 | P | 31.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 37.8 | -179.1 | 35.5 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 1766 | N | 29.7 | Very low | 27 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | -124.9 | 63.2 | -178.7 | -75.3 | -65.5 | 0 | 0 | 0 | 112.3 | D1764 | D1764-N1766 PolarHBondContact O-N 3.33Å; D1764-N1766 PolarHBondContact OD1-ND2 2.91Å | ||
| 1767 | N | 28.7 | Very low | 27 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -154 | 104.7 | 159.8 | -118.3 | -29.5 | 0 | 0 | 0 | 112.2 | ||||
| 1768 | S | 27.3 | Very low | 27 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 140 | 161.2 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1769 | P | 32.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | -147 | 164.2 | 114.2 | 40 | -27 | 0 | 0 | 0 | 114.4 | |||||
| 1770 | H | 29.7 | Very low | 27.1 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 46.4 | 110.1 | 165.5 | -49.2 | -57.5 | 0 | 0 | 0 | 117.3 | ||||
| 1771 | G | 23.7 | Very low | 27.1 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 102.1 | 77.9 | 19 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1772 | F | 26.8 | Very low | 26.9 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -127 | 123.1 | 165.5 | -96.2 | -83.2 | 0 | 0 | 0 | 109.7 | ||||
| 1773 | H | 23.4 | Very low | 26.7 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 146.3 | 175.3 | -69 | -101.3 | 0 | 0 | 0 | 110.6 | ||||
| 1774 | H | 28.7 | Very low | 26.6 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | -146.2 | 118.4 | 126.6 | -109.2 | -74 | 0 | 0 | 0 | 109.9 | |||||
| 1775 | N | 22.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 130.1 | -177.8 | -59.8 | -20.9 | 0 | 0 | 0 | 109.9 | ||||
| 1776 | A | 28.7 | Very low | 26.2 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -137.5 | 79.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1778 | A1776-L1778 PolarHBondContact O-N 2.95Å; A1776-L1778 VanDerWaalsContact O-N 3.08Å | ||
| 1777 | S | 24.5 | Very low | 26 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -31.4 | 98.3 | -173.9 | -53 | 0 | 0 | 0 | 0 | 117.1 | T1779 | S1777-T1779 PolarHBondContact O-N 3.47Š| ||
| 1778 | L | 25 | Very low | 25.8 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | -80.9 | 101.3 | 153 | -94.3 | 164 | 0 | 0 | 0 | 108.3 | A1776 | A1776-L1778 PolarHBondContact O-N 2.95Å; A1776-L1778 VanDerWaalsContact O-N 3.08Å | ||
| 1779 | T | 27.5 | Very low | 25.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 150.8 | -177.4 | 41.1 | 0 | 0 | 0 | 0 | 112.5 | S1777 | S1777-T1779 PolarHBondContact O-N 3.47Š| ||
| 1780 | Q | 22.1 | Very low | 25.2 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -71.2 | 135.6 | -173.4 | -58.8 | 163 | -51.4 | 0 | 0 | 112.3 | ||||
| 1781 | I | 26.2 | Very low | 25 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -127.3 | 130.2 | 144.1 | -66.5 | -173 | 0 | 0 | 0 | 109.1 | ||||
| 1782 | S | 24.4 | Very low | 25 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -28.2 | 135.1 | -175 | 53 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1783 | T | 22.9 | Very low | 24.9 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 144.1 | 154.7 | 45.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1784 | M | 24.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -140.2 | 77.2 | 156.6 | -105.9 | -62.4 | 111.9 | 0 | 0 | 111.2 | ||||
| 1785 | T | 24.6 | Very low | 25.6 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -84.8 | 121.9 | 166.5 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1786 | K | 27.8 | Very low | 25.7 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -158.8 | 105.2 | 158.2 | -103.4 | 161.7 | -174.2 | 178.7 | 0 | 107.1 | ||||
| 1787 | S | 24.1 | Very low | 25.6 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | 73.4 | 145 | 46.9 | 89.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1788 | Q | 24.8 | Very low | 25.6 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 78.7 | 89.9 | 177.4 | -57.5 | 175 | 1.9 | 0 | 0 | 113.7 | ||||
| 1789 | S | 24.8 | Very low | 25.5 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | 79.9 | 99.8 | 74.8 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1790 | R | 23.5 | Very low | 25.4 | Very low | 255 Ų | 255 | 150 Ų | 150 | 96% | 0.962 | 78% | 0.78 | S | S | * | * | trans | -96.8 | 126.6 | 148.6 | -81 | -169.5 | 167.4 | -163.2 | -4.6 | 108.3 | ||||
| 1791 | Q | 25.4 | Very low | 25.6 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 149.3 | -172.7 | -67.9 | 157.1 | -42 | 0 | 0 | 111.2 | T1793 | Q1791-T1793 PolarHBondContact O-N 3.43Š| ||
| 1792 | S | 23.2 | Very low | 25.6 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -72 | 113.5 | 164.7 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1793 | T | 25.4 | Very low | 25.6 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -136.2 | 115.6 | 163.4 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | Q1791 | Q1791-T1793 PolarHBondContact O-N 3.43Š| ||
| 1794 | P | 40.5 | Very low | 25.8 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 128.8 | -173 | 34.2 | -32.3 | 0 | 0 | 0 | 113 | ||||
| 1795 | F | 25 | Very low | 25.8 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -139 | 97.4 | 156.3 | -86.7 | -91.9 | 0 | 0 | 0 | 106.7 | ||||
| 1796 | T | 24.9 | Very low | 26 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | 54.4 | 95.1 | 91.5 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1797 | H | 27 | Very low | 25.8 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -139.1 | 87.1 | 130.6 | -104.2 | -74.4 | 0 | 0 | 0 | 109.1 | L1799 | H1797-L1799 PolarHBondContact O-N 3.3Š| ||
| 1798 | R | 23.7 | Very low | 26.1 | Very low | 225 Ų | 225 | 154.3 Ų | 154.3 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 96.7 | 178.3 | -177.5 | -168.3 | -161.2 | -179.3 | 4.7 | 108.3 | S1800 | R1798-S1800 VanDerWaalsContact C-N 3.32Å; R1798-S1800 PolarHBondContact O-N 3.07Å; R1798-S1800 VanDerWaalsContact O-N 3.12Å | ||
| 1799 | L | 24.6 | Very low | 26.2 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 89 | 163.9 | -77.7 | 169.6 | 0 | 0 | 0 | 108.3 | H1797 L1801 | H1797-L1799 PolarHBondContact O-N 3.3Å; L1799-L1801 PolarHBondContact O-N 3Å | ||
| 1800 | S | 24.9 | Very low | 26.3 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 53% | 0.531 | 81% | 0.809 | S | S | . | * | trans | -77.4 | 111.9 | 171.8 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | R1798 T1802 | R1798-S1800 VanDerWaalsContact C-N 3.32Å; R1798-S1800 PolarHBondContact O-N 3.07Å; R1798-S1800 VanDerWaalsContact O-N 3.12Å; S1800-T1802 VanDerWaalsContact C-N 3.26Å; S1800-T1802 PolarHBondContact O-N 2.7Å | ||
| 1801 | L | 25.5 | Very low | 26.4 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -89.7 | 71.1 | 162.2 | -158.5 | 78.7 | 0 | 0 | 0 | 108.9 | L1799 | L1799-L1801 PolarHBondContact O-N 3Š| ||
| 1802 | T | 26 | Very low | 26.5 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | trans | -124.4 | 102 | 171.7 | 47.3 | 0 | 0 | 0 | 0 | 107 | S1800 | S1800-T1802 VanDerWaalsContact C-N 3.26Å; S1800-T1802 PolarHBondContact O-N 2.7Å | ||
| 1803 | D | 25.7 | Very low | 26.5 | Very low | 165 Ų | 165 | 157.5 Ų | 157.5 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -173.9 | 68.6 | 165.7 | -92.3 | -27.2 | 0 | 0 | 0 | 109.6 | ||||
| 1804 | L | 26.8 | Very low | 26.5 | Very low | 165 Ų | 165 | 157.5 Ų | 157.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -164.8 | 32.4 | 158.3 | -115.1 | 157.6 | 0 | 0 | 0 | 114.8 | ||
| 1805 | E | 24.3 | Very low | 25.7 | Very low | 204 Ų | 204 | 160.1 Ų | 160.1 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -126.5 | 74.8 | 159.2 | -75.9 | -167.1 | 157.3 | 0 | 0 | 109.3 | ||||
| 1806 | S | 27.6 | Very low | 25.7 | Very low | 99 Ų | 99 | 159 Ų | 159 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -107 | 99.1 | 164.4 | 59.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1807 | S | 25.3 | Very low | 25.6 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 95.8 | 104.9 | 79.9 | 65 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1808 | E | 29.5 | Very low | 25.4 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -150.3 | 142.5 | 142.8 | -123.4 | 169.6 | -148.5 | 0 | 0 | 109.3 | ||||
| 1809 | D | 26.5 | Very low | 25.5 | Very low | 141 Ų | 141 | 154.1 Ų | 154.1 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 145.7 | -168.6 | -65.8 | -80.8 | 0 | 0 | 0 | 113.1 | ||||
| 1810 | Q | 27.6 | Very low | 25.5 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | -171.7 | 139.5 | 100.5 | -99.4 | 164.9 | 56.1 | 0 | 0 | 114.1 | |||||
| 1811 | H | 24.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -61.5 | 131.1 | 163.4 | -72 | -97 | 0 | 0 | 0 | 110.6 | ||||
| 1812 | Y | 27.2 | Very low | 25.9 | Very low | 238 Ų | 238 | 152.2 Ų | 152.2 | 93% | 0.933 | 79% | 0.786 | S | S | * | * | trans | -142.9 | 129.5 | 134.4 | -114.8 | -78.6 | 0 | 0 | 0 | 111 | ||||
| 1813 | M | 25.1 | Very low | 26.2 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -80 | 150.9 | -171.1 | -94.6 | -74.4 | -176.3 | 0 | 0 | 113.4 | Q1815 | M1813-Q1815 PolarHBondContact O-N 2.83Š| ||
| 1814 | D | 23.4 | Very low | 26.3 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | trans | -52.3 | 111.6 | 170.5 | -154 | -11.4 | 0 | 0 | 0 | 111.2 | K1816 | D1814-K1816 WeakPolarHBondContact OD1-CE 3.45Å; D1814-K1816 IonicContact OD2-NZ 2.81Å | ||
| 1815 | Q | 25.7 | Very low | 26.3 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -128.8 | 90.3 | 162.9 | -74.6 | -157.1 | 7.3 | 0 | 0 | 110.8 | M1813 L1817 | M1813-Q1815 PolarHBondContact O-N 2.83Å; Q1815-L1817 PolarHBondContact O-N 3.37Å | ||
| 1816 | K | 23.4 | Very low | 26.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -62.7 | 96.3 | 172.3 | -67.1 | 171.2 | -175.9 | 166.9 | 0 | 110.5 | D1814 S1818 | D1814-K1816 WeakPolarHBondContact OD1-CE 3.45Å; D1814-K1816 IonicContact OD2-NZ 2.81Å; K1816-S1818 PolarHBondContact O-N 2.71Å | ||
| 1817 | L | 23.2 | Very low | 26.2 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -75 | 90.6 | 172.8 | -81.2 | 167.8 | 0 | 0 | 0 | 110.6 | Q1815 F1819 | Q1815-L1817 PolarHBondContact O-N 3.37Å; L1817-F1819 HydrophobicContact CB-CE2 4.38Å; L1817-F1819 PolarHBondContact O-N 3.29Å; L1817-F1819 VanDerWaalsContact O-N 3.08Å | ||
| 1818 | S | 22.5 | Very low | 26.1 | Very low | 104 Ų | 104 | 155.2 Ų | 155.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 97.4 | 172.8 | 56 | 0 | 0 | 0 | 0 | 111.3 | K1816 N1820 | K1816-S1818 PolarHBondContact O-N 2.71Å; S1818-N1820 PolarHBondContact O-N 2.82Å; S1818-N1820 VanDerWaalsContact O-N 3.13Å | ||
| 1819 | F | 26.8 | Very low | 25.9 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -77.8 | 92.1 | 172.1 | -89.9 | -86.5 | 0 | 0 | 0 | 111.6 | L1817 I1821 | L1817-F1819 HydrophobicContact CB-CE2 4.38Å; L1817-F1819 PolarHBondContact O-N 3.29Å; L1817-F1819 VanDerWaalsContact O-N 3.08Å; F1819-I1821 PolarHBondContact O-N 3.49Å | ||
| 1820 | N | 23.9 | Very low | 25.7 | Very low | 157 Ų | 157 | 155 Ų | 155 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 119.4 | 159.9 | -78.1 | -21.1 | 0 | 0 | 0 | 109.1 | S1818 | S1818-N1820 PolarHBondContact O-N 2.82Å; S1818-N1820 VanDerWaalsContact O-N 3.13Å | ||
| 1821 | I | 30.5 | Very low | 25.6 | Very low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -126 | 121.1 | 164.7 | -61.6 | -177.8 | 0 | 0 | 0 | 107.7 | F1819 | F1819-I1821 PolarHBondContact O-N 3.49Š| ||
| 1822 | A | 27.7 | Very low | 25.7 | Very low | 86 Ų | 86 | 149 Ų | 149 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -72 | 154.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1824 | A1822-G1824 PolarHBondContact O-N 3.33Š| ||
| 1823 | P | 32.1 | Very low | 25.5 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -71.3 | 96.6 | -176 | 28.6 | -35.2 | 0 | 0 | 0 | 112.3 | ||||
| 1824 | G | 29.5 | Very low | 25.7 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -63.6 | 138.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1822 S1826 | A1822-G1824 PolarHBondContact O-N 3.33Å; G1824-S1826 PolarHBondContact O-N 3.49Å | ||
| 1825 | Q | 26.8 | Very low | 25.7 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 135.6 | -176.5 | -68.6 | 178.3 | -12.7 | 0 | 0 | 112.2 | Q1827 | Q1825-Q1827 VanDerWaalsContact C-N 3.32Å; Q1825-Q1827 PolarHBondContact O-N 3.28Å | ||
| 1826 | S | 25 | Very low | 25.9 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 84.5 | 174.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | G1824 R1828 | G1824-S1826 PolarHBondContact O-N 3.49Å; S1826-R1828 PolarHBondContact O-N 3.4Å | ||
| 1827 | Q | 24.8 | Very low | 26.2 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 113.2 | 165.1 | -76.3 | -158.1 | -1.8 | 0 | 0 | 109.2 | Q1825 A1829 | Q1825-Q1827 VanDerWaalsContact C-N 3.32Å; Q1825-Q1827 PolarHBondContact O-N 3.28Å; Q1827-A1829 VanDerWaalsContact C-N 3.26Å; Q1827-A1829 PolarHBondContact O-N 3.06Å | ||
| 1828 | R | 23.4 | Very low | 26.5 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 73.5 | -173.9 | -168.6 | 179.6 | -171.7 | 172.5 | 3.4 | 111.5 | S1826 R1830 | S1826-R1828 PolarHBondContact O-N 3.4Å; R1828-R1830 PolarHBondContact O-N 3Å | ||
| 1829 | A | 24 | Very low | 26.9 | Very low | 94 Ų | 94 | 145 Ų | 145 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -58.6 | 105.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1827 S1831 | Q1827-A1829 VanDerWaalsContact C-N 3.26Å; Q1827-A1829 PolarHBondContact O-N 3.06Å; A1829-S1831 PolarHBondContact O-N 3.12Å | ||
| 1830 | R | 23.8 | Very low | 27.2 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 89.1 | 171.1 | -73.5 | 176 | 167.6 | 171 | -4.7 | 109.2 | R1828 S1832 | R1828-R1830 PolarHBondContact O-N 3Å; R1830-S1832 PolarHBondContact O-N 3.22Å | ||
| 1831 | S | 25 | Very low | 27.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 104.4 | 169.1 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | A1829 | A1829-S1831 PolarHBondContact O-N 3.12Š| ||
| 1832 | S | 25.1 | Very low | 27.3 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -66.6 | 137.6 | -178 | 50.3 | 0 | 0 | 0 | 0 | 113 | R1830 | R1830-S1832 PolarHBondContact O-N 3.22Š| ||
| 1833 | S | 24.7 | Very low | 27.7 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 10.4 | 111.8 | 151.7 | 57.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1834 | L | 29.4 | Very low | 27.5 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 110.7 | 141.7 | -75.8 | 175.8 | 0 | 0 | 0 | 109 | ||||
| 1835 | R | 23.4 | Very low | 27.5 | Very low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -72 | 151 | 158.5 | -72.2 | 179.3 | 171 | 175.9 | -2.9 | 107.5 | ||||
| 1836 | P | 28.7 | Very low | 27.5 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -121.8 | 135.3 | 90.6 | -2.6 | 22.8 | 0 | 0 | 0 | 112.4 | V1838 | P1836-V1838 PolarHBondContact O-N 2.82Š| |||
| 1837 | S | 30.1 | Very low | 27.6 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 59% | 0.587 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 105.6 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | K1839 | S1837-K1839 PolarHBondContact O-N 3.07Š| ||
| 1838 | V | 29.4 | Very low | 27.8 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 78.1 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | P1836 | P1836-V1838 PolarHBondContact O-N 2.82Š| ||
| 1839 | K | 32 | Very low | 27.8 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -126.4 | 8.6 | 178.7 | -140.3 | -177.2 | -178.6 | -172.5 | 0 | 114 | S1837 | S1837-K1839 PolarHBondContact O-N 3.07Š| ||
| 1840 | N | 32.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -117 | 36 | -176.5 | -71.2 | 16.1 | 0 | 0 | 0 | 112.9 | ||
| 1841 | L | 28.6 | Very low | 27.9 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.2 | 13.8 | 176.6 | -114.3 | 165.9 | 0 | 0 | 0 | 113.8 | ||
| 1842 | L | 28.2 | Very low | 28 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -128.3 | 25.6 | 173.4 | -74.7 | 171.8 | 0 | 0 | 0 | 111.9 | ||
| 1843 | S | 35.7 | Very low | 27.9 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -120.5 | 20 | -178.4 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1844 | N | 28 | Very low | 28.1 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -130.2 | 30.3 | -173 | -102.1 | 17.1 | 0 | 0 | 0 | 113.5 | ||||
| 1845 | L | 28.1 | Very low | 27.9 | Very low | 176 Ų | 176 | 146 Ų | 146 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -127.2 | 90.7 | 159.9 | -79 | 173.1 | 0 | 0 | 0 | 107.4 | ||||
| 1846 | G | 26.9 | Very low | 28.2 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -88.6 | 157.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1847 | D | 27 | Very low | 28.1 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 41.1 | 86.3 | 151.3 | -56.4 | -13.1 | 0 | 0 | 0 | 118.6 | ||||
| 1848 | V | 29.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -122.4 | 48.8 | 146 | -164.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1849 | T | 23.9 | Very low | 27.8 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -99.4 | 60.4 | 174.2 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1850 | S | 25.9 | Very low | 27.5 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -160.5 | 115.7 | 156.5 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1851 | M | 24 | Very low | 27.3 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 77% | 0.768 | 80% | 0.799 | S | S | * | * | trans | -162.5 | 125.8 | 149.6 | -101.1 | -69.7 | 99.5 | 0 | 0 | 109.3 | ||||
| 1852 | Y | 26.6 | Very low | 27.1 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 52 | 84.5 | 169.9 | -68.3 | -68.9 | 0 | 0 | 0 | 120.8 | ||||
| 1853 | N | 23.6 | Very low | 27.1 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | -44.6 | 138.3 | 127.3 | -91.6 | -28.7 | 0 | 0 | 0 | 111.4 | |||||
| 1854 | K | 29.7 | Very low | 26.7 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -143.3 | 128.4 | 147.2 | -104.9 | -177.3 | -179.9 | 178.5 | 0 | 109.8 | ||||
| 1855 | N | 24.5 | Very low | 26.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -82.7 | 139.4 | -177.5 | -63 | -29 | 0 | 0 | 0 | 111.5 | ||||
| 1856 | S | 30.7 | Very low | 26.7 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -151.8 | 116.8 | 145.7 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1857 | S | 25.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -62.2 | 158.4 | 155.2 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1858 | S | 25.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | -167.7 | 154.6 | 23.8 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1859 | K | 27.9 | Very low | 26.5 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | 178.4 | 140.3 | 117.2 | -99 | 169.6 | -177.7 | 179.7 | 0 | 111.2 | |||||
| 1860 | S | 24.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 139.1 | 175.8 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1861 | G | 28.9 | Very low | 26.6 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -139.3 | 120.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1862 | S | 24 | Very low | 26.4 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 161.8 | 171.3 | 39.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1863 | H | 29.2 | Very low | 26.3 | Very low | 173 Ų | 173 | 138 Ų | 138 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | cis | -144.7 | 151.9 | 44.8 | -83.8 | -99.6 | 0 | 0 | 0 | 117.1 | ||||
| 1864 | K | 27.5 | Very low | 26.3 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -27.9 | 134.8 | 172.2 | -69.9 | 176.3 | 173.5 | 179.6 | 0 | 118 | ||||
| 1865 | R | 25.3 | Very low | 26.1 | Very low | 241 Ų | 241 | 135.7 Ų | 135.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -58.5 | 149.2 | 140.2 | -56.8 | 172.3 | 178.7 | 172.1 | -2.9 | 110.2 | ||||
| 1866 | I | 30.4 | Very low | 26.1 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -138 | 145.2 | 143.7 | -92.6 | 161.2 | 0 | 0 | 0 | 106.7 | ||||
| 1867 | S | 24.4 | Very low | 25.7 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -120.9 | 161.8 | 170.5 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1868 | D | 26.7 | Very low | 25.9 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 148.3 | 158.9 | 131.9 | -72.4 | -5 | 0 | 0 | 0 | 114.4 | ||||
| 1869 | A | 26.5 | Very low | 25.7 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | 62.1 | 93.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1870 | S | 23.7 | Very low | 25.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -10.7 | 139.1 | 135.6 | 55.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1871 | S | 28.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 174 | 147.5 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1872 | C | 21.1 | Very low | 25.5 | Very low | 122 Ų | 122 | 138 Ų | 138 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -114 | -177.4 | -160.8 | -153.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1873 | C | 23 | Very low | 25.6 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | -75.7 | -179.5 | -161.9 | -50.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1874 | Q | 24.5 | Very low | 25.4 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | 79.7 | 145.1 | 170.2 | -47.5 | -178.8 | -2.1 | 0 | 0 | 114 | ||||
| 1875 | S | 25.5 | Very low | 25.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -157.3 | -172.4 | 13.1 | 64.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1876 | N | 24.6 | Very low | 25.4 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | cis | -164 | 167.5 | 3 | -135.4 | -1 | 0 | 0 | 0 | 112.9 | ||||
| 1877 | V | 23.2 | Very low | 25.4 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | 34 | 126.4 | 139.7 | 174.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1878 | S | 27.9 | Very low | 25.4 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | -169.1 | 164.8 | 95.9 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1879 | S | 22.9 | Very low | 25.7 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -129.5 | 150.4 | -165.8 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1880 | V | 29.2 | Very low | 26.1 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 158.5 | 169.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1881 | E | 23 | Very low | 26.2 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -146.6 | 163.4 | -149.6 | -159.4 | -170.6 | -137.3 | 0 | 0 | 112.5 | ||||
| 1882 | K | 24.8 | Very low | 26 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 74.5 | 155.8 | 170.5 | -68.6 | 141.5 | 176.2 | 151.1 | 0 | 116.1 | ||||
| 1883 | N | 26.3 | Very low | 26.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -148.1 | 170.5 | 8.6 | -135.2 | -9.4 | 0 | 0 | 0 | 114.7 | ||||
| 1884 | N | 24.8 | Very low | 26.7 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 160.9 | -173.5 | -60 | -52.1 | 0 | 0 | 0 | 116.5 | ||||
| 1885 | G | 27.8 | Very low | 26.7 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -162.5 | 135.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1886 | T | 24.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -128.6 | 140.1 | -172.1 | 38.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1887 | V | 29.8 | Very low | 26.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -142.4 | 155.5 | 166.5 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1888 | T | 26.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -125 | 141.3 | -162.4 | 48.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1889 | T | 32.3 | Very low | 27.3 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 15.5 | 139 | 149.2 | 57.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1890 | P | 33.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | -137.1 | -175 | 99 | 39 | -28 | 0 | 0 | 0 | 115.7 | |||||
| 1891 | T | 26.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -112.5 | 155 | -151.4 | 49.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1892 | S | 24.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 63.8 | 126.9 | 138.6 | 64.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1893 | F | 26.7 | Very low | 29.7 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | -164.4 | 173.6 | 117.2 | -99.9 | -56.3 | 0 | 0 | 0 | 109.6 | |||||
| 1894 | P | 32.5 | Very low | 30.2 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -115.6 | 151.4 | -135.6 | 36.6 | -20.7 | 0 | 0 | 0 | 116.6 | ||||
| 1895 | S | 25.2 | Very low | 30.9 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -86.8 | 116.1 | -176.7 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1896 | L | 26 | Very low | 31.4 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -75.3 | 121 | 168.6 | -91.6 | 162.9 | 0 | 0 | 0 | 111 | ||||
| 1897 | R | 26.6 | Very low | 32.2 | Very low | 224 Ų | 224 | 128.2 Ų | 128.2 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -91.9 | 102.3 | -179.7 | -68.5 | -177.6 | 178.5 | 174.7 | -0.8 | 111.8 | ||||
| 1898 | I | 30.7 | Very low | 32.7 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -98.3 | 79.4 | 164.9 | -53.3 | -179.1 | 0 | 0 | 0 | 108.3 | ||||
| 1899 | S | 29.1 | Very low | 33.4 | Very low | 83 Ų | 83 | 124 Ų | 124 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | trans | -136.8 | 77.5 | -177.6 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1900 | N | 32.5 | Very low | 33.9 | Very low | 173 Ų | 173 | 120.6 Ų | 120.6 | 93% | 0.925 | 68% | 0.678 | S | S | * | * | trans | -173.7 | 46 | 166.1 | -96.2 | -19.2 | 0 | 0 | 0 | 113.3 | ||||
| 1901 | S | 32.1 | Very low | 33.9 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | trans | -130.7 | 122.7 | 171.2 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | S1903 | S1901-S1903 PolarHBondContact O-N 3.15Š| ||
| 1902 | P | 42.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 121 Ų | 121 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | -83.3 | -13.8 | -158.7 | -16.3 | 33.3 | 0 | 0 | 0 | 117.3 | ||||
| 1903 | S | 43 | Very low | 35 | Very low | 49 Ų | 49 | 119.6 Ų | 119.6 | 34% | 0.343 | 65% | 0.651 | S | S | . | * | trans | -143.9 | 151.6 | 177.9 | 94.5 | 0 | 0 | 0 | 0 | 114.1 | S1901 Q1905 D1906 | S1901-S1903 PolarHBondContact O-N 3.15Å; S1903-Q1905 PolarHBondContact O-N 3.43Å; S1903-Q1905 PolarHBondContact OG-N 3.32Å; S1903-D1906 VanDerWaalsContact CB-OD2 3.32Å; S1903-D1906 WeakPolarHBondContact CB-OD2 3.45Å; S1903-D1906 PolarHBondContact N-OD2 3.4Å; S1903-D1906 PolarHBondContact O-N 2.86Å; S1903-D1906 VanDerWaalsContact OG-CG 3.27Å; S1903-D1906 PolarHBondContact OG-N 3.42Å; S1903-D1906 PolarHBondContact OG-OD2 3.14Å | ||
| 1904 | I | 37.6 | Very low | 35.5 | Very low | 141 Ų | 141 | 119 Ų | 119 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.2 | -29.3 | 175.2 | -71.8 | 171.7 | 0 | 0 | 0 | 111.6 | D1906 T1907 V1908 | I1904-D1906 VanDerWaalsContact C-N 3.28Å; I1904-D1906 PolarHBondContact O-N 2.83Å; I1904-T1907 PolarHBondContact O-N 3.04Å; I1904-V1908 HydrophobicContact CG2-CG2 4.32Å; I1904-V1908 WeakPolarHBondContact O-CG2 3.43Å; I1904-V1908 PolarHBondContact O-N 2.99Å |
| 1905 | Q | 39.2 | Very low | 35.5 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | -180 | -172 | 166.3 | -21.9 | 0 | 0 | 111.3 | S1903 V1908 M1909 | S1903-Q1905 PolarHBondContact O-N 3.43Å; S1903-Q1905 PolarHBondContact OG-N 3.32Å; Q1905-V1908 PolarHBondContact O-N 3.03Å; Q1905-M1909 HydrophobicContact CG-CG 4.46Å; Q1905-M1909 WeakPolarHBondContact O-CB 3.49Å; Q1905-M1909 VanDerWaalsContact O-CG 3.25Å; Q1905-M1909 WeakPolarHBondContact O-CG 3.11Å; Q1905-M1909 PolarHBondContact O-N 2.79Å |
| 1906 | D | 38.5 | Very low | 36.1 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 47% | 0.471 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.3 | -40.7 | 174.3 | -52.5 | -56.2 | 0 | 0 | 0 | 111.1 | S1903 I1904 M1909 A1910 | S1903-D1906 VanDerWaalsContact CB-OD2 3.32Å; S1903-D1906 WeakPolarHBondContact CB-OD2 3.45Å; S1903-D1906 PolarHBondContact N-OD2 3.4Å; S1903-D1906 PolarHBondContact O-N 2.86Å; S1903-D1906 VanDerWaalsContact OG-CG 3.27Å; S1903-D1906 PolarHBondContact OG-N 3.42Å; S1903-D1906 PolarHBondContact OG-OD2 3.14Å; I1904-D1906 VanDerWaalsContact C-N 3.28Å; I1904-D1906 PolarHBondContact O-N 2.83Å; D1906-M1909 PolarHBondContact O-N 3.3Å; D1906-A1910 VanDerWaalsContact O-CB 3.22Å; D1906-A1910 WeakPolarHBondContact O-CB 3.43Å; D1906-A1910 PolarHBondContact O-N 2.52Å |
| 1907 | T | 40.6 | Very low | 36.4 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 44% | 0.442 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.5 | -42.5 | 175.4 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | I1904 A1910 L1911 | I1904-T1907 PolarHBondContact O-N 3.04Å; T1907-A1910 PolarHBondContact O-N 2.77Å; T1907-L1911 PolarHBondContact O-N 2.79Å; T1907-L1911 VanDerWaalsContact O-N 3.1Å |
| 1908 | V | 41.1 | Very low | 36.8 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 40% | 0.4 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70 | -40.1 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | I1904 Q1905 L1911 F1912 | I1904-V1908 HydrophobicContact CG2-CG2 4.32Å; I1904-V1908 WeakPolarHBondContact O-CG2 3.43Å; I1904-V1908 PolarHBondContact O-N 2.99Å; Q1905-V1908 PolarHBondContact O-N 3.03Å; V1908-L1911 WeakPolarHBondContact O-CB 3.39Å; V1908-L1911 PolarHBondContact O-N 3.23Å; V1908-F1912 HydrophobicContact CG1-CD2 4.03Å; V1908-F1912 HydrophobicContact CG1-CE2 4.03Å; V1908-F1912 WeakPolarHBondContact O-CD2 3.41Å; V1908-F1912 PolarHBondContact O-N 3.04Å; V1908-F1912 VanDerWaalsContact O-N 3.17Å |
| 1909 | M | 41.1 | Very low | 37.1 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70 | -33.2 | 176 | -67.9 | -62.1 | -66 | 0 | 0 | 112.2 | Q1905 D1906 L1911 F1912 S1913 | Q1905-M1909 HydrophobicContact CG-CG 4.46Å; Q1905-M1909 WeakPolarHBondContact O-CB 3.49Å; Q1905-M1909 VanDerWaalsContact O-CG 3.25Å; Q1905-M1909 WeakPolarHBondContact O-CG 3.11Å; Q1905-M1909 PolarHBondContact O-N 2.79Å; D1906-M1909 PolarHBondContact O-N 3.3Å; M1909-L1911 VanDerWaalsContact C-N 3.31Å; M1909-L1911 PolarHBondContact O-N 3.44Å; M1909-F1912 PolarHBondContact O-N 3.05Å; M1909-S1913 WeakPolarHBondContact O-CB 3.4Å; M1909-S1913 PolarHBondContact O-N 3.03Å; M1909-S1913 PolarHBondContact O-OG 3.11Å |
| 1910 | A | 41.8 | Very low | 38 | Very low | 53 Ų | 53 | 115.6 Ų | 115.6 | 44% | 0.438 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.1 | -29.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1906 T1907 | D1906-A1910 VanDerWaalsContact O-CB 3.22Å; D1906-A1910 WeakPolarHBondContact O-CB 3.43Å; D1906-A1910 PolarHBondContact O-N 2.52Å; T1907-A1910 PolarHBondContact O-N 2.77Å |
| 1911 | L | 34.3 | Very low | 37.8 | Very low | 121 Ų | 121 | 112.7 Ų | 112.7 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.5 | -38.8 | 170.8 | -94.8 | 162.3 | 0 | 0 | 0 | 112.2 | T1907 V1908 M1909 | T1907-L1911 PolarHBondContact O-N 2.79Å; T1907-L1911 VanDerWaalsContact O-N 3.1Å; V1908-L1911 WeakPolarHBondContact O-CB 3.39Å; V1908-L1911 PolarHBondContact O-N 3.23Å; M1909-L1911 VanDerWaalsContact C-N 3.31Å; M1909-L1911 PolarHBondContact O-N 3.44Å |
| 1912 | F | 34.2 | Very low | 37.7 | Very low | 141 Ų | 141 | 115.3 Ų | 115.3 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.8 | -34.1 | 179.9 | -79.2 | -67.3 | 0 | 0 | 0 | 114.3 | V1908 M1909 K1914 L1915 | V1908-F1912 HydrophobicContact CG1-CD2 4.03Å; V1908-F1912 HydrophobicContact CG1-CE2 4.03Å; V1908-F1912 WeakPolarHBondContact O-CD2 3.41Å; V1908-F1912 PolarHBondContact O-N 3.04Å; V1908-F1912 VanDerWaalsContact O-N 3.17Å; M1909-F1912 PolarHBondContact O-N 3.05Å; F1912-K1914 VanDerWaalsContact C-N 3.31Å; F1912-K1914 PolarHBondContact O-N 3.5Å; F1912-L1915 PolarHBondContact O-N 3.48Å |
| 1913 | S | 39.8 | Very low | 37.6 | Very low | 59 Ų | 59 | 118.6 Ų | 118.6 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.3 | -31 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | M1909 L1915 S1916 | M1909-S1913 WeakPolarHBondContact O-CB 3.4Å; M1909-S1913 PolarHBondContact O-N 3.03Å; M1909-S1913 PolarHBondContact O-OG 3.11Å; S1913-L1915 PolarHBondContact O-N 2.88Å; S1913-S1916 PolarHBondContact O-N 2.65Å; S1913-S1916 PolarHBondContact O-OG 2.69Å |
| 1914 | K | 36.9 | Very low | 37.3 | Very low | 187 Ų | 187 | 122.1 Ų | 122.1 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 1.8 | 173.2 | -86 | -164.9 | 168.4 | -167.1 | 0 | 115.3 | F1912 | F1912-K1914 VanDerWaalsContact C-N 3.31Å; F1912-K1914 PolarHBondContact O-N 3.5Å |
| 1915 | L | 33.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 12.7 | 175.5 | -72.4 | 169.1 | 0 | 0 | 0 | 113.1 | F1912 S1913 | F1912-L1915 PolarHBondContact O-N 3.48Å; S1913-L1915 PolarHBondContact O-N 2.88Å |
| 1916 | S | 38.2 | Very low | 37.2 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -136.3 | 5 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 117.3 | S1913 | S1913-S1916 PolarHBondContact O-N 2.65Å; S1913-S1916 PolarHBondContact O-OG 2.69Å |
| 1917 | D | 31.6 | Very low | 37.2 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | -107.7 | 88.6 | 175.8 | -80.2 | -35.9 | 0 | 0 | 0 | 112.1 | ||||
| 1918 | D | 36.2 | Very low | 36.9 | Very low | 163 Ų | 163 | 124.6 Ų | 124.6 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -70.6 | 125.5 | 156.8 | -83 | -51.1 | 0 | 0 | 0 | 109.4 | ||||
| 1919 | N | 35.3 | Very low | 36.7 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -154.8 | 124.4 | 160.5 | -114.9 | -53.5 | 0 | 0 | 0 | 112.8 | ||||
| 1920 | P | 48.6 | Very low | 36.3 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -85.7 | 166.1 | 177.8 | 34.8 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 1921 | S | 29.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 73.7 | 97.8 | 166.6 | 71.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1922 | C | 28.7 | Very low | 36.1 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | -165.8 | 142.3 | 127.6 | -97 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1923 | P | 40.8 | Very low | 36.2 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 100% | 1.312 | 80% | 0.796 | S | S | * | * | -87 | 0 | -100.9 | 29.9 | -37.8 | 0 | 0 | 0 | 114.9 |
Retrieved 1,923 of 1,923 residues in 1509.2 ms
(Link to these results)