| 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 | 89.4 | Confident | 95.7 | Very high | 163 Ų | 163 | 85.9 Ų | 85.9 | 80% | 0.803 | 44% | 0.438 | S | S | * | . | 0 | -54.1 | 0 | -71.9 | -54.8 | -73.8 | 0 | 0 | 110.7 | E3 L4 Q5 Q82 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-Q5 PolarHBondContact O-N 2.93Å; M1-Q82 PolarHBondContact SD-NE2 2.73Å | |||
| 2 | A | 93.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 80.6 Ų | 80.6 | 65% | 0.653 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -53.4 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L4 Q5 M6 | A2-L4 PolarHBondContact O-N 3.1Å; A2-Q5 WeakPolarHBondContact O-CB 3.46Å; A2-Q5 PolarHBondContact O-N 3.48Å; A2-M6 PolarHBondContact O-N 3.45Å |
| 3 | E | 94.3 | Very high | 96.1 | Very high | 90 Ų | 90 | 76.8 Ų | 76.8 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177.3 | -170.6 | 179.4 | -176 | 0 | 0 | 113.1 | M1 Q5 M6 L7 Q74 I78 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.65Å; E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.02Å; E3-M6 PolarHBondContact O-N 2.94Å; E3-L7 HydrophobicContact CG-CD1 4.42Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.22Å; E3-Q74 PolarHBondContact OE1-NE2 3.25Å; E3-I78 HydrophobicContact CB-CD1 4.29Å; E3-I78 HydrophobicContact CG-CD1 3.84Å |
| 4 | L | 95.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.7 | -177.3 | 63.7 | 0 | 0 | 0 | 111.9 | M1 A2 L7 L8 M75 I78 Q79 | M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; A2-L4 PolarHBondContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 3.49Å; L4-L8 HydrophobicContact CD1-CD1 4.18Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 3.96Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-M75 HydrophobicContact CD1-CB 4.41Å; L4-M75 HydrophobicContact CD1-CG 3.68Å; L4-I78 HydrophobicContact CB-CG2 3.99Å; L4-I78 HydrophobicContact CD1-CB 4.47Å; L4-I78 HydrophobicContact CD1-CG2 4.32Å; L4-I78 HydrophobicContact CD2-CG2 4.31Å; L4-I78 HydrophobicContact CG-CG2 4.44Å; L4-Q79 HydrophobicContact CD1-CG 4.17Å; L4-Q79 HydrophobicContact CD2-CG 4.35Å |
| 5 | Q | 96.4 | Very high | 96.3 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 178.2 | -177 | 173.1 | -2.9 | 0 | 0 | 111.1 | M1 A2 E3 L7 L8 E9 | M1-Q5 PolarHBondContact O-N 2.93Å; A2-Q5 WeakPolarHBondContact O-CB 3.46Å; A2-Q5 PolarHBondContact O-N 3.48Å; E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.02Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.22Å; Q5-L8 PolarHBondContact O-N 3.5Å; Q5-E9 HydrophobicContact CG-CG 4.19Å; Q5-E9 VanDerWaalsContact CG-OE2 3.26Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.34Å; Q5-E9 PolarHBondContact NE2-OE2 3.07Å; Q5-E9 WeakPolarHBondContact O-CB 3.46Å; Q5-E9 PolarHBondContact O-N 2.82Å |
| 6 | M | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 39% | 0.389 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 175 | -178.5 | -178.1 | 67.3 | 0 | 0 | 111.8 | A2 E3 L8 E10 E11 | A2-M6 PolarHBondContact O-N 3.45Å; E3-M6 PolarHBondContact O-N 2.94Å; M6-L8 PolarHBondContact O-N 3.27Å; M6-E10 WeakPolarHBondContact O-CA 3.3Å; M6-E10 WeakPolarHBondContact O-CB 3.07Å; M6-E10 PolarHBondContact O-N 3.49Å; M6-E11 HydrophobicContact CG-CG 4.1Å; M6-E11 PolarHBondContact O-N 2.88Å |
| 7 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -60.6 | -45.4 | 175.8 | -76.7 | 164.7 | 0 | 0 | 0 | 112.3 | E3 L4 Q5 E11 I12 N71 Q74 M75 I78 | E3-L7 HydrophobicContact CG-CD1 4.42Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 3.49Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.22Å; L7-E11 HydrophobicContact CD2-CB 4.44Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.49Å; L7-I12 HydrophobicContact CB-CD1 4.29Å; L7-I12 WeakPolarHBondContact O-CB 3.29Å; L7-I12 VanDerWaalsContact O-CG1 3.28Å; L7-I12 WeakPolarHBondContact O-CG1 3.27Å; L7-I12 PolarHBondContact O-N 2.88Å; L7-N71 HydrophobicContact CD2-CB 3.69Å; L7-Q74 HydrophobicContact CD1-CB 4.25Å; L7-Q74 HydrophobicContact CD1-CG 3.95Å; L7-M75 HydrophobicContact CD1-CB 4.25Å; L7-I78 HydrophobicContact CD1-CD1 3.92Å |
| 8 | L | 96.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 78.1 Ų | 78.1 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -74 | -39.3 | -176.7 | -75.5 | 172.1 | 0 | 0 | 0 | 113.8 | L4 Q5 M6 P13 M75 | L4-L8 HydrophobicContact CD1-CD1 4.18Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 3.96Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.06Å; Q5-L8 PolarHBondContact O-N 3.5Å; M6-L8 PolarHBondContact O-N 3.27Å; L8-P13 WeakPolarHBondContact O-CD 3.46Å; L8-P13 WeakPolarHBondContact O-CG 3.39Å; L8-M75 HydrophobicContact CD2-CG 4.38Å; L8-M75 HydrophobicContact CD2-SD 3.48Å; L8-M75 WeakPolarHBondContact CD2-SD 3.37Å; L8-M75 HydrophobicContact CG-SD 4.3Å |
| 9 | E | 97.1 | Very high | 96.6 | Very high | 122 Ų | 122 | 77.2 Ų | 77.2 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | I | π-helix | trans | -94 | -32 | -170.8 | -65.1 | -177.5 | 168.1 | 0 | 0 | 112.5 | Q5 | Q5-E9 HydrophobicContact CG-CG 4.19Å; Q5-E9 VanDerWaalsContact CG-OE2 3.26Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.34Å; Q5-E9 PolarHBondContact NE2-OE2 3.07Å; Q5-E9 WeakPolarHBondContact O-CB 3.46Å; Q5-E9 PolarHBondContact O-N 2.82Å |
| 10 | E | 96.9 | Very high | 96.7 | Very high | 136 Ų | 136 | 80.2 Ų | 80.2 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | I | π-helix | trans | -119.1 | -62.5 | -170.8 | -60.8 | -172.8 | 170.2 | 0 | 0 | 112.7 | M6 G14 | M6-E10 WeakPolarHBondContact O-CA 3.3Å; M6-E10 WeakPolarHBondContact O-CB 3.07Å; M6-E10 PolarHBondContact O-N 3.49Å; E10-G14 WeakPolarHBondContact O-CA 3.44Å; E10-G14 PolarHBondContact O-N 2.97Å |
| 11 | E | 97.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 80.4 Ų | 80.4 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -73.5 | -46.7 | -164.6 | -63.6 | -174.7 | 138.9 | 0 | 0 | 113.5 | M6 L7 G14 G15 | M6-E11 HydrophobicContact CG-CG 4.1Å; M6-E11 PolarHBondContact O-N 2.88Å; L7-E11 HydrophobicContact CD2-CB 4.44Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.49Å; E11-G14 PolarHBondContact O-N 3.32Å; E11-G15 PolarHBondContact O-N 3.24Å |
| 12 | I | 98.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 73.3 Ų | 73.3 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -48.1 | 178.5 | -65.2 | 171 | 0 | 0 | 0 | 110.5 | L7 G14 G15 R16 L68 N71 V72 M75 | L7-I12 HydrophobicContact CB-CD1 4.29Å; L7-I12 WeakPolarHBondContact O-CB 3.29Å; L7-I12 VanDerWaalsContact O-CG1 3.28Å; L7-I12 WeakPolarHBondContact O-CG1 3.27Å; L7-I12 PolarHBondContact O-N 2.88Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.92Å; I12-G15 PolarHBondContact O-N 2.93Å; I12-R16 WeakPolarHBondContact O-CB 3.12Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.16Å; I12-R16 PolarHBondContact O-N 3.48Å; I12-L68 HydrophobicContact CB-CD1 4.33Å; I12-L68 HydrophobicContact CG1-CD1 4.49Å; I12-L68 HydrophobicContact CG2-CD1 3.96Å; I12-N71 HydrophobicContact CG1-CB 3.94Å; I12-V72 HydrophobicContact CD1-CG2 4.16Å; I12-V72 HydrophobicContact CG1-CG2 4.43Å; I12-V72 HydrophobicContact CG2-CG2 4.44Å; I12-M75 HydrophobicContact CD1-CB 4.07Å; I12-M75 HydrophobicContact CD1-CE 4.25Å; I12-M75 HydrophobicContact CD1-CG 4.37Å; I12-M75 HydrophobicContact CD1-SD 3.61Å |
| 13 | P | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 173.1 | -24.6 | 35.6 | 0 | 0 | 0 | 112.8 | L8 R16 R17 | L8-P13 WeakPolarHBondContact O-CD 3.46Å; L8-P13 WeakPolarHBondContact O-CG 3.39Å; P13-R16 PolarHBondContact O-N 3.37Å; P13-R17 WeakPolarHBondContact O-CG 3.41Å; P13-R17 PolarHBondContact O-N 3.46Å; P13-R17 PolarHBondContact O-NH1 3.44Å |
| 14 | G | 98 | Very high | 97.5 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E10 E11 I12 R16 R17 A18 | E10-G14 WeakPolarHBondContact O-CA 3.44Å; E10-G14 PolarHBondContact O-N 2.97Å; E11-G14 PolarHBondContact O-N 3.32Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.92Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.03Å; G14-R17 PolarHBondContact O-N 2.94Å; G14-A18 PolarHBondContact O-N 3.27Å |
| 15 | G | 97.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 77.2 Ų | 77.2 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E11 I12 A18 L19 | E11-G15 PolarHBondContact O-N 3.24Å; I12-G15 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 2.91Å; G15-L19 PolarHBondContact O-N 3.01Å |
| 16 | R | 98.3 | Very high | 97.6 | Very high | 174 Ų | 174 | 74.6 Ų | 74.6 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 173.8 | -74 | 178.9 | 69.4 | -163.7 | 0.5 | 112.7 | I12 P13 G14 L19 F20 L68 | I12-R16 WeakPolarHBondContact O-CB 3.12Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.16Å; I12-R16 PolarHBondContact O-N 3.48Å; P13-R16 PolarHBondContact O-N 3.37Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.03Å; R16-L19 WeakPolarHBondContact O-CB 3.38Å; R16-L19 PolarHBondContact O-N 3.28Å; R16-F20 PolarHBondContact O-N 2.95Å; R16-F20 VanDerWaalsContact O-N 3.11Å; R16-L68 HydrophobicContact CG-CD1 4.16Å; R16-L68 HydrophobicContact CG-CD2 3.83Å |
| 17 | R | 98.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 75.9 Ų | 75.9 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 174.2 | -71.1 | -177.4 | -150.1 | 98.2 | -3 | 110.9 | P13 G14 L19 F20 D21 | P13-R17 WeakPolarHBondContact O-CG 3.41Å; P13-R17 PolarHBondContact O-N 3.46Å; P13-R17 PolarHBondContact O-NH1 3.44Å; G14-R17 PolarHBondContact O-N 2.94Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 3.43Å; R17-F20 CarbonylContact O-C 3.48Å; R17-F20 WeakPolarHBondContact O-CA 3.41Å; R17-F20 WeakPolarHBondContact O-CB 3.3Å; R17-F20 PolarHBondContact O-N 3.34Å; R17-D21 VanDerWaalsContact O-CG 3.31Å; R17-D21 PolarHBondContact O-N 3.39Å |
| 18 | A | 97.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 83.5 Ų | 83.5 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G14 G15 D21 S22 L64 | G14-A18 PolarHBondContact O-N 3.27Å; G15-A18 PolarHBondContact O-N 2.91Å; A18-D21 PolarHBondContact O-N 3.17Å; A18-S22 WeakPolarHBondContact O-CB 3.42Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-L64 HydrophobicContact CB-CD2 4.06Å |
| 19 | L | 97.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 81.4 Ų | 81.4 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 173.1 | -138.2 | 81.7 | 0 | 0 | 0 | 112.1 | G15 R16 R17 S22 Y23 L64 I65 | G15-L19 PolarHBondContact O-N 3.01Å; R16-L19 WeakPolarHBondContact O-CB 3.38Å; R16-L19 PolarHBondContact O-N 3.28Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 3.43Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 2.8Å; L19-Y23 PolarHBondContact O-N 2.94Å; L19-L64 HydrophobicContact CD1-CB 3.48Å; L19-L64 VanDerWaalsContact CD1-CB 3.48Å; L19-L64 HydrophobicContact CD1-CD1 4.42Å; L19-I65 HydrophobicContact CD1-CG1 4.03Å |
| 20 | F | 98.1 | Very high | 97.8 | Very high | 137 Ų | 137 | 78.2 Ų | 78.2 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 176.7 | -174.1 | -93.1 | 0 | 0 | 0 | 112 | R16 R17 S22 Y23 T24 | R16-F20 PolarHBondContact O-N 2.95Å; R16-F20 VanDerWaalsContact O-N 3.11Å; R17-F20 CarbonylContact O-C 3.48Å; R17-F20 WeakPolarHBondContact O-CA 3.41Å; R17-F20 WeakPolarHBondContact O-CB 3.3Å; R17-F20 PolarHBondContact O-N 3.34Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 3.16Å; F20-Y23 WeakPolarHBondContact O-CB 3.37Å; F20-Y23 PolarHBondContact O-N 3.27Å; F20-T24 HydrophobicContact CE1-CG2 4.21Å; F20-T24 PolarHBondContact O-N 2.88Å |
| 21 | D | 97.6 | Very high | 97.9 | Very high | 86 Ų | 86 | 75.7 Ų | 75.7 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.3 | -64.7 | -21.4 | 0 | 0 | 0 | 110.1 | R17 A18 Y23 T24 N25 | R17-D21 VanDerWaalsContact O-CG 3.31Å; R17-D21 PolarHBondContact O-N 3.39Å; A18-D21 PolarHBondContact O-N 3.17Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 2.74Å; D21-T24 PolarHBondContact O-N 3.35Å; D21-T24 PolarHBondContact O-OG1 3.37Å; D21-N25 WeakPolarHBondContact O-CB 3.43Å; D21-N25 PolarHBondContact O-N 2.99Å; D21-N25 PolarHBondContact O-ND2 2.91Å; D21-N25 PolarHBondContact O-OD1 2.8Å |
| 22 | S | 97.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 77.3 Ų | 77.3 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.7 | -44.5 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | A18 L19 F20 T24 N25 L26 | A18-S22 WeakPolarHBondContact O-CB 3.42Å; A18-S22 PolarHBondContact O-N 2.76Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 2.8Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 3.16Å; S22-T24 PolarHBondContact O-N 2.86Å; S22-N25 PolarHBondContact O-N 3.45Å; S22-L26 WeakPolarHBondContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CG 3.38Å; S22-L26 PolarHBondContact O-N 2.89Å |
| 23 | Y | 97.4 | Very high | 97.9 | Very high | 148 Ų | 148 | 76.8 Ų | 76.8 | 58% | 0.58 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.4 | -53.4 | 175.1 | 167.5 | -95.4 | 0 | 0 | 0 | 112.2 | L19 F20 D21 N25 L26 E27 | L19-Y23 PolarHBondContact O-N 2.94Å; F20-Y23 WeakPolarHBondContact O-CB 3.37Å; F20-Y23 PolarHBondContact O-N 3.27Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 2.74Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.98Å; Y23-L26 PolarHBondContact O-N 3.35Å; Y23-E27 PolarHBondContact O-N 3.13Å |
| 24 | T | 97.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 81.2 Ų | 81.2 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.4 | -29.3 | -179.5 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | F20 D21 S22 R28 | F20-T24 HydrophobicContact CE1-CG2 4.21Å; F20-T24 PolarHBondContact O-N 2.88Å; D21-T24 PolarHBondContact O-N 3.35Å; D21-T24 PolarHBondContact O-OG1 3.37Å; S22-T24 PolarHBondContact O-N 2.86Å; T24-R28 PolarHBondContact O-N 3.39Å; T24-R28 PolarHBondContact O-NE 3.38Å |
| 25 | N | 97.4 | Very high | 97.8 | Very high | 71 Ų | 71 | 83.8 Ų | 83.8 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.2 | -41.8 | 178.2 | -68.7 | -16.7 | 0 | 0 | 0 | 111.1 | D21 S22 Y23 E27 R28 V29 | D21-N25 WeakPolarHBondContact O-CB 3.43Å; D21-N25 PolarHBondContact O-N 2.99Å; D21-N25 PolarHBondContact O-ND2 2.91Å; D21-N25 PolarHBondContact O-OD1 2.8Å; S22-N25 PolarHBondContact O-N 3.45Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.98Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 3.22Å; N25-R28 PolarHBondContact O-N 3.02Å; N25-R28 PolarHBondContact OD1-NH2 2.96Å; N25-V29 VanDerWaalsContact O-CG2 3.31Å; N25-V29 WeakPolarHBondContact O-CG2 3.34Å; N25-V29 PolarHBondContact O-N 3.14Å |
| 26 | L | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 84.6 Ų | 84.6 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | -179.6 | -70.3 | 178 | 0 | 0 | 0 | 112.5 | S22 Y23 V29 A30 S57 V61 | S22-L26 WeakPolarHBondContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CG 3.38Å; S22-L26 PolarHBondContact O-N 2.89Å; Y23-L26 PolarHBondContact O-N 3.35Å; L26-V29 PolarHBondContact O-N 3.18Å; L26-A30 WeakPolarHBondContact O-CB 3.08Å; L26-A30 PolarHBondContact O-N 3.01Å; L26-S57 WeakPolarHBondContact CD2-OG 3.47Å; L26-V61 HydrophobicContact CD1-CG2 3.51Å |
| 27 | E | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 81 Ų | 81 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.8 | -49 | 170.8 | -172.2 | 173.9 | -160.3 | 0 | 0 | 110.7 | Y23 N25 V29 A30 D31 | Y23-E27 PolarHBondContact O-N 3.13Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 3.22Å; E27-V29 PolarHBondContact O-N 3.36Å; E27-A30 WeakPolarHBondContact O-CB 3.4Å; E27-A30 PolarHBondContact O-N 3.37Å; E27-D31 PolarHBondContact O-N 3.42Å |
| 28 | R | 97.9 | Very high | 97.8 | Very high | 159 Ų | 159 | 78.7 Ų | 78.7 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.6 | -36.4 | 176.7 | -68 | -174.7 | -75.1 | 159.8 | -10.5 | 113.5 | T24 N25 A30 Y32 | T24-R28 PolarHBondContact O-N 3.39Å; T24-R28 PolarHBondContact O-NE 3.38Å; N25-R28 PolarHBondContact O-N 3.02Å; N25-R28 PolarHBondContact OD1-NH2 2.96Å; R28-A30 VanDerWaalsContact C-N 3.35Å; R28-Y32 WeakPolarHBondContact O-CB 3.38Å; R28-Y32 PolarHBondContact O-N 3.03Å |
| 29 | V | 98.1 | Very high | 97.7 | Very high | 41 Ų | 41 | 84.2 Ų | 84.2 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | N25 L26 E27 Y32 C33 Y53 | N25-V29 VanDerWaalsContact O-CG2 3.31Å; N25-V29 WeakPolarHBondContact O-CG2 3.34Å; N25-V29 PolarHBondContact O-N 3.14Å; L26-V29 PolarHBondContact O-N 3.18Å; E27-V29 PolarHBondContact O-N 3.36Å; V29-Y32 PolarHBondContact O-N 3.49Å; V29-C33 WeakPolarHBondContact O-CB 3.28Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 3.32Å; V29-Y53 HydrophobicContact CG1-CD1 3.94Å; V29-Y53 HydrophobicContact CG1-CG 4.02Å |
| 30 | A | 98 | Very high | 97.7 | Very high | 55 Ų | 55 | 82.3 Ų | 82.3 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L26 E27 R28 Y32 C33 E34 | L26-A30 WeakPolarHBondContact O-CB 3.08Å; L26-A30 PolarHBondContact O-N 3.01Å; E27-A30 WeakPolarHBondContact O-CB 3.4Å; E27-A30 PolarHBondContact O-N 3.37Å; R28-A30 VanDerWaalsContact C-N 3.35Å; A30-Y32 VanDerWaalsContact C-N 3.28Å; A30-Y32 PolarHBondContact O-N 3.1Å; A30-C33 PolarHBondContact O-N 2.85Å; A30-C33 VanDerWaalsContact O-N 3.16Å; A30-E34 PolarHBondContact O-N 2.93Å |
| 31 | D | 98.2 | Very high | 97.5 | Very high | 84 Ų | 84 | 82.1 Ų | 82.1 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 175.8 | -71.1 | -18.1 | 0 | 0 | 0 | 111.7 | E27 N35 | E27-D31 PolarHBondContact O-N 3.42Å; D31-N35 VanDerWaalsContact O-CB 3.29Å; D31-N35 WeakPolarHBondContact O-CB 3.31Å; D31-N35 VanDerWaalsContact O-CG 3.3Å; D31-N35 PolarHBondContact O-N 3.25Å; D31-N35 PolarHBondContact O-ND2 3.44Å |
| 32 | Y | 98.1 | Very high | 97.5 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 176.7 | 171 | -98.3 | 0 | 0 | 0 | 111.8 | R28 V29 A30 E34 N35 N36 Y53 | R28-Y32 WeakPolarHBondContact O-CB 3.38Å; R28-Y32 PolarHBondContact O-N 3.03Å; V29-Y32 PolarHBondContact O-N 3.49Å; A30-Y32 VanDerWaalsContact C-N 3.28Å; A30-Y32 PolarHBondContact O-N 3.1Å; Y32-E34 VanDerWaalsContact C-N 3.32Å; Y32-E34 PolarHBondContact O-N 3.4Å; Y32-N35 PolarHBondContact O-N 3.47Å; Y32-N36 HydrophobicContact CE1-CB 4.37Å; Y32-N36 HydrophobicContact CE2-CB 4.42Å; Y32-N36 WeakPolarHBondContact O-CB 2.85Å; Y32-N36 PolarHBondContact O-N 3.26Å; Y32-Y53 HydrophobicContact CD1-CE2 4.3Å; Y32-Y53 AromaticContact CE1-CE2 3.83Å; Y32-Y53 HydrophobicContact CE1-CE2 3.83Å |
| 33 | C | 97.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 85 Ų | 85 | 7% | 0.068 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | -179.7 | -71.5 | 0 | 0 | 0 | 0 | 111.4 | V29 A30 Y37 T50 | V29-C33 WeakPolarHBondContact O-CB 3.28Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 3.32Å; A30-C33 PolarHBondContact O-N 2.85Å; A30-C33 VanDerWaalsContact O-N 3.16Å; C33-Y37 VanDerWaalsContact O-CB 3.3Å; C33-Y37 WeakPolarHBondContact O-CB 3.5Å; C33-Y37 PolarHBondContact O-N 3.33Å; C33-T50 HydrophobicContact CB-CG2 3.78Å |
| 34 | E | 97.7 | Very high | 97.4 | Very high | 125 Ų | 125 | 84.2 Ų | 84.2 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.5 | -50.8 | 176.9 | -175.2 | 172.4 | -174.5 | 0 | 0 | 111.4 | A30 Y32 N36 Y37 I38 | A30-E34 PolarHBondContact O-N 2.93Å; Y32-E34 VanDerWaalsContact C-N 3.32Å; Y32-E34 PolarHBondContact O-N 3.4Å; E34-N36 PolarHBondContact O-N 3.01Å; E34-Y37 PolarHBondContact O-N 2.89Å; E34-I38 HydrophobicContact CG-CD1 3.99Å; E34-I38 WeakPolarHBondContact O-CG1 3.18Å; E34-I38 PolarHBondContact O-N 2.88Å |
| 35 | N | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 180 | -75.6 | -53.6 | 0 | 0 | 0 | 112.5 | D31 Y32 Y37 I38 Q39 | D31-N35 VanDerWaalsContact O-CB 3.29Å; D31-N35 WeakPolarHBondContact O-CB 3.31Å; D31-N35 VanDerWaalsContact O-CG 3.3Å; D31-N35 PolarHBondContact O-N 3.25Å; D31-N35 PolarHBondContact O-ND2 3.44Å; Y32-N35 PolarHBondContact O-N 3.47Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; N35-Y37 PolarHBondContact O-N 2.9Å; N35-I38 PolarHBondContact O-N 3.45Å; N35-Q39 WeakPolarHBondContact O-CB 3.23Å; N35-Q39 VanDerWaalsContact O-CG 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.04Å; N35-Q39 PolarHBondContact O-N 2.96Å |
| 36 | N | 97.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 87 Ų | 87 | 19% | 0.193 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176 | -174.4 | 45.1 | 0 | 0 | 0 | 110.7 | Y32 E34 I38 S40 E49 | Y32-N36 HydrophobicContact CE1-CB 4.37Å; Y32-N36 HydrophobicContact CE2-CB 4.42Å; Y32-N36 WeakPolarHBondContact O-CB 2.85Å; Y32-N36 PolarHBondContact O-N 3.26Å; E34-N36 PolarHBondContact O-N 3.01Å; N36-I38 PolarHBondContact O-N 3.03Å; N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 3.47Å; N36-E49 PolarHBondContact ND2-OE2 3.45Å; N36-E49 VanDerWaalsContact ND2-OE2 3.13Å |
| 37 | Y | 97.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 87.7 Ų | 87.7 | 38% | 0.384 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.5 | -172.8 | -95 | 0 | 0 | 0 | 112 | C33 E34 N35 K43 A46 L47 | C33-Y37 VanDerWaalsContact O-CB 3.3Å; C33-Y37 WeakPolarHBondContact O-CB 3.5Å; C33-Y37 PolarHBondContact O-N 3.33Å; E34-Y37 PolarHBondContact O-N 2.89Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; N35-Y37 PolarHBondContact O-N 2.9Å; Y37-K43 HydrophobicContact CD1-CD 4.49Å; Y37-K43 HydrophobicContact CD2-CD 4.47Å; Y37-K43 HydrophobicContact CE1-CD 4.18Å; Y37-K43 HydrophobicContact CE2-CB 3.84Å; Y37-K43 HydrophobicContact CE2-CD 4.15Å; Y37-K43 HydrophobicContact CE2-CG 4.45Å; Y37-K43 WeakPolarHBondContact CE2-O 3.34Å; Y37-K43 WeakPolarHBondContact O-CD 3.47Å; Y37-K43 WeakPolarHBondContact O-CE 3.07Å; Y37-K43 PolarHBondContact O-NZ 3.45Å; Y37-A46 HydrophobicContact CD2-CB 3.95Å; Y37-L47 HydrophobicContact CE2-CB 4.18Å |
| 38 | I | 97.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 87.7 Ų | 87.7 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 178.4 | -66.6 | 165.5 | 0 | 0 | 0 | 111.2 | E34 N35 N36 K43 | E34-I38 HydrophobicContact CG-CD1 3.99Å; E34-I38 WeakPolarHBondContact O-CG1 3.18Å; E34-I38 PolarHBondContact O-N 2.88Å; N35-I38 PolarHBondContact O-N 3.45Å; N36-I38 PolarHBondContact O-N 3.03Å; I38-K43 PolarHBondContact O-NZ 3.03Å |
| 39 | Q | 96.2 | Very high | 97.2 | Very high | 152 Ų | 152 | 82.8 Ų | 82.8 | 71% | 0.71 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -78.9 | -27.2 | -173.7 | -65.2 | 173.8 | 34.7 | 0 | 0 | 113.6 | N35 | N35-Q39 WeakPolarHBondContact O-CB 3.23Å; N35-Q39 VanDerWaalsContact O-CG 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.04Å; N35-Q39 PolarHBondContact O-N 2.96Å |
| 40 | S | 96.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 82.4 Ų | 82.4 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | trans | -69 | 135.2 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 112 | N36 D42 K43 | N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 3.47Å; S40-D42 VanDerWaalsContact C-N 3.33Å; S40-D42 PolarHBondContact OG-N 3.4Å; S40-D42 PolarHBondContact OG-O 2.65Å; S40-K43 WeakPolarHBondContact O-CE 3.47Å; S40-K43 PolarHBondContact O-NZ 2.93Å | ||
| 41 | P | 95.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 84.2 Ų | 84.2 | 87% | 0.87 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -71.9 | -27.7 | 171.5 | 29.4 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 42 | D | 96.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 83 Ų | 83 | 43% | 0.428 | 41% | 0.408 | S | S | . | . | trans | -101.8 | 101.3 | 175.8 | -174.5 | -14.7 | 0 | 0 | 0 | 109.8 | S40 Q44 R45 A46 | S40-D42 VanDerWaalsContact C-N 3.33Å; S40-D42 PolarHBondContact OG-N 3.4Å; S40-D42 PolarHBondContact OG-O 2.65Å; D42-Q44 PolarHBondContact OD1-N 3.16Å; D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 PolarHBondContact OD1-N 3.07Å; D42-A46 PolarHBondContact O-N 2.76Å | ||
| 43 | K | 96.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72 | -31.5 | -179.7 | -59.1 | -52.4 | -174.5 | -160.8 | 0 | 112.5 | Y37 I38 S40 A46 L47 | Y37-K43 HydrophobicContact CD1-CD 4.49Å; Y37-K43 HydrophobicContact CD2-CD 4.47Å; Y37-K43 HydrophobicContact CE1-CD 4.18Å; Y37-K43 HydrophobicContact CE2-CB 3.84Å; Y37-K43 HydrophobicContact CE2-CD 4.15Å; Y37-K43 HydrophobicContact CE2-CG 4.45Å; Y37-K43 WeakPolarHBondContact CE2-O 3.34Å; Y37-K43 WeakPolarHBondContact O-CD 3.47Å; Y37-K43 WeakPolarHBondContact O-CE 3.07Å; Y37-K43 PolarHBondContact O-NZ 3.45Å; I38-K43 PolarHBondContact O-NZ 3.03Å; S40-K43 WeakPolarHBondContact O-CE 3.47Å; S40-K43 PolarHBondContact O-NZ 2.93Å; K43-A46 PolarHBondContact O-N 3.47Å; K43-L47 VanDerWaalsContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CB 3.21Å; K43-L47 PolarHBondContact O-N 2.85Å |
| 44 | Q | 96.6 | Very high | 97.2 | Very high | 131 Ų | 131 | 85.2 Ų | 85.2 | 61% | 0.612 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.2 | -42.9 | -177.7 | -169.5 | 66.7 | 10.7 | 0 | 0 | 110.1 | D42 L47 E48 | D42-Q44 PolarHBondContact OD1-N 3.16Å; Q44-L47 PolarHBondContact O-N 3.41Å; Q44-E48 PolarHBondContact O-N 3.25Å; Q44-E48 VanDerWaalsContact O-N 3.1Å |
| 45 | R | 96.3 | Very high | 97.2 | Very high | 172 Ų | 172 | 83.8 Ų | 83.8 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 175.4 | -163.3 | -177.7 | 102.1 | 168.6 | 6.2 | 112.2 | D42 L47 E48 E49 | D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 PolarHBondContact OD1-N 3.07Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.01Å; R45-E48 PolarHBondContact O-N 3.11Å; R45-E49 PolarHBondContact O-N 3.24Å |
| 46 | A | 96.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 86 Ų | 86 | 2% | 0.017 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y37 D42 K43 E49 T50 | Y37-A46 HydrophobicContact CD2-CB 3.95Å; D42-A46 PolarHBondContact O-N 2.76Å; K43-A46 PolarHBondContact O-N 3.47Å; A46-E49 PolarHBondContact O-N 3.23Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.4Å; A46-T50 VanDerWaalsContact O-OG1 3.06Å |
| 47 | L | 97.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 85.5 Ų | 85.5 | 35% | 0.346 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.7 | -178.7 | 64.3 | 0 | 0 | 0 | 112.1 | Y37 K43 Q44 R45 E49 T50 K51 | Y37-L47 HydrophobicContact CE2-CB 4.18Å; K43-L47 VanDerWaalsContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CB 3.21Å; K43-L47 PolarHBondContact O-N 2.85Å; Q44-L47 PolarHBondContact O-N 3.41Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.01Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.8Å; L47-T50 WeakPolarHBondContact O-CB 3.42Å; L47-T50 PolarHBondContact O-N 2.83Å; L47-K51 WeakPolarHBondContact O-CG 3.41Å; L47-K51 PolarHBondContact O-N 3.39Å |
| 48 | E | 97.5 | Very high | 97.3 | Very high | 107 Ų | 107 | 87 Ų | 87 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 178.7 | -159.3 | 62.2 | -161.8 | 0 | 0 | 111.5 | Q44 R45 K51 A52 | Q44-E48 PolarHBondContact O-N 3.25Å; Q44-E48 VanDerWaalsContact O-N 3.1Å; R45-E48 PolarHBondContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 IonicContact OE2-NZ 2.82Å; E48-K51 PolarHBondContact OE2-NZ 3.22Å; E48-A52 PolarHBondContact O-N 2.89Å |
| 49 | E | 97.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 84.9 Ų | 84.9 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 171.8 | -172.3 | 168.3 | -160.2 | 0 | 0 | 111.9 | N36 R45 A46 L47 K51 A52 Y53 | N36-E49 PolarHBondContact ND2-OE2 3.45Å; N36-E49 VanDerWaalsContact ND2-OE2 3.13Å; R45-E49 PolarHBondContact O-N 3.24Å; A46-E49 PolarHBondContact O-N 3.23Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.8Å; E49-K51 PolarHBondContact O-N 3.38Å; E49-A52 WeakPolarHBondContact O-CB 3.21Å; E49-A52 PolarHBondContact O-N 3.24Å; E49-Y53 HydrophobicContact CG-CD2 4.03Å; E49-Y53 HydrophobicContact CG-CE2 3.76Å; E49-Y53 VanDerWaalsContact O-CD2 3.3Å; E49-Y53 WeakPolarHBondContact O-CD2 3.27Å; E49-Y53 PolarHBondContact O-N 2.87Å |
| 50 | T | 98 | Very high | 97.4 | Very high | 32 Ų | 32 | 80.2 Ų | 80.2 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | C33 A46 L47 A52 Y53 T54 | C33-T50 HydrophobicContact CB-CG2 3.78Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.4Å; A46-T50 VanDerWaalsContact O-OG1 3.06Å; L47-T50 WeakPolarHBondContact O-CB 3.42Å; L47-T50 PolarHBondContact O-N 2.83Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.42Å; T50-Y53 PolarHBondContact O-N 3.13Å; T50-T54 WeakPolarHBondContact O-CB 3.35Å; T50-T54 PolarHBondContact O-N 2.78Å; T50-T54 PolarHBondContact O-OG1 2.88Å |
| 51 | K | 98.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 41% | 0.409 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.9 | -70 | -179.5 | -161.7 | 156.6 | 0 | 111.9 | L47 E48 E49 T54 T55 | L47-K51 WeakPolarHBondContact O-CG 3.41Å; L47-K51 PolarHBondContact O-N 3.39Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 IonicContact OE2-NZ 2.82Å; E48-K51 PolarHBondContact OE2-NZ 3.22Å; E49-K51 PolarHBondContact O-N 3.38Å; K51-T54 PolarHBondContact O-N 3.06Å; K51-T55 WeakPolarHBondContact O-CB 3.19Å; K51-T55 PolarHBondContact O-N 2.59Å; K51-T55 PolarHBondContact O-OG1 3.48Å |
| 52 | A | 98.2 | Very high | 97.6 | Very high | 58 Ų | 58 | 77.6 Ų | 77.6 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E48 E49 T50 T54 T55 Q56 | E48-A52 PolarHBondContact O-N 2.89Å; E49-A52 WeakPolarHBondContact O-CB 3.21Å; E49-A52 PolarHBondContact O-N 3.24Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.42Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 2.83Å; A52-T55 PolarHBondContact O-N 2.95Å; A52-Q56 WeakPolarHBondContact O-CB 3.31Å; A52-Q56 PolarHBondContact O-N 2.75Å |
| 53 | Y | 98.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 81.4 Ų | 81.4 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 175.2 | -80.5 | -66.1 | 0 | 0 | 0 | 112.7 | V29 Y32 E49 T50 Q56 S57 | V29-Y53 HydrophobicContact CG1-CD1 3.94Å; V29-Y53 HydrophobicContact CG1-CG 4.02Å; Y32-Y53 HydrophobicContact CD1-CE2 4.3Å; Y32-Y53 AromaticContact CE1-CE2 3.83Å; Y32-Y53 HydrophobicContact CE1-CE2 3.83Å; E49-Y53 HydrophobicContact CG-CD2 4.03Å; E49-Y53 HydrophobicContact CG-CE2 3.76Å; E49-Y53 VanDerWaalsContact O-CD2 3.3Å; E49-Y53 WeakPolarHBondContact O-CD2 3.27Å; E49-Y53 PolarHBondContact O-N 2.87Å; T50-Y53 PolarHBondContact O-N 3.13Å; Y53-Q56 PolarHBondContact O-N 2.89Å; Y53-S57 VanDerWaalsContact O-CB 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.45Å; Y53-S57 PolarHBondContact O-N 2.95Å; Y53-S57 PolarHBondContact O-OG 2.97Å |
| 54 | T | 98.1 | Very high | 97.8 | Very high | 86 Ų | 86 | 79.2 Ų | 79.2 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177.1 | -56 | 0 | 0 | 0 | 0 | 111.3 | T50 K51 A52 S57 L58 | T50-T54 WeakPolarHBondContact O-CB 3.35Å; T50-T54 PolarHBondContact O-N 2.78Å; T50-T54 PolarHBondContact O-OG1 2.88Å; K51-T54 PolarHBondContact O-N 3.06Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 2.83Å; T54-S57 PolarHBondContact O-N 2.9Å; T54-L58 PolarHBondContact O-N 3.16Å |
| 55 | T | 98.2 | Very high | 97.9 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | K51 A52 S57 L58 A59 | K51-T55 WeakPolarHBondContact O-CB 3.19Å; K51-T55 PolarHBondContact O-N 2.59Å; K51-T55 PolarHBondContact O-OG1 3.48Å; A52-T55 PolarHBondContact O-N 2.95Å; T55-S57 VanDerWaalsContact C-N 3.33Å; T55-S57 PolarHBondContact O-N 3.34Å; T55-L58 PolarHBondContact O-N 3.41Å; T55-A59 WeakPolarHBondContact O-CB 3.35Å; T55-A59 PolarHBondContact O-N 3Å |
| 56 | Q | 98.1 | Very high | 98 | Very high | 126 Ų | 126 | 73.6 Ų | 73.6 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 175.5 | -173.3 | -177.4 | 9 | 0 | 0 | 111.7 | A52 Y53 A59 S60 | A52-Q56 WeakPolarHBondContact O-CB 3.31Å; A52-Q56 PolarHBondContact O-N 2.75Å; Y53-Q56 PolarHBondContact O-N 2.89Å; Q56-A59 PolarHBondContact O-N 3.28Å; Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.07Å; Q56-S60 PolarHBondContact O-N 3.02Å |
| 57 | S | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 75.7 Ų | 75.7 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 177.9 | -62 | 0 | 0 | 0 | 0 | 111.6 | L26 Y53 T54 T55 S60 V61 | L26-S57 WeakPolarHBondContact CD2-OG 3.47Å; Y53-S57 VanDerWaalsContact O-CB 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.45Å; Y53-S57 PolarHBondContact O-N 2.95Å; Y53-S57 PolarHBondContact O-OG 2.97Å; T54-S57 PolarHBondContact O-N 2.9Å; T55-S57 VanDerWaalsContact C-N 3.33Å; T55-S57 PolarHBondContact O-N 3.34Å; S57-S60 PolarHBondContact O-N 3.49Å; S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.49Å |
| 58 | L | 98 | Very high | 98.1 | Very high | 129 Ų | 129 | 73.8 Ų | 73.8 | 68% | 0.675 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 176.6 | 179.1 | 62.4 | 0 | 0 | 0 | 111.5 | T54 T55 S60 A62 | T54-L58 PolarHBondContact O-N 3.16Å; T55-L58 PolarHBondContact O-N 3.41Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.02Å; L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.31Å |
| 59 | A | 98 | Very high | 98.2 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T55 Q56 Y63 | T55-A59 WeakPolarHBondContact O-CB 3.35Å; T55-A59 PolarHBondContact O-N 3Å; Q56-A59 PolarHBondContact O-N 3.28Å; A59-Y63 WeakPolarHBondContact O-CB 3.29Å; A59-Y63 PolarHBondContact O-N 3.27Å |
| 60 | S | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 71.9 Ų | 71.9 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -49.6 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | Q56 S57 L58 A62 Y63 L64 | Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.07Å; Q56-S60 PolarHBondContact O-N 3.02Å; S57-S60 PolarHBondContact O-N 3.49Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.02Å; S60-A62 PolarHBondContact O-N 3.27Å; S60-Y63 PolarHBondContact O-N 3.1Å; S60-L64 WeakPolarHBondContact O-CG 3.01Å; S60-L64 PolarHBondContact O-N 3.08Å |
| 61 | V | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 71.5 Ų | 71.5 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | L26 S57 Y63 L64 I65 | L26-V61 HydrophobicContact CD1-CG2 3.51Å; S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.49Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.02Å; V61-L64 PolarHBondContact O-N 3.15Å; V61-I65 HydrophobicContact CG1-CD1 3.7Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.89Å |
| 62 | A | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L58 S60 N66 | L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.31Å; S60-A62 PolarHBondContact O-N 3.27Å; A62-N66 VanDerWaalsContact O-CB 3.26Å; A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 PolarHBondContact O-N 2.91Å |
| 63 | Y | 98.4 | Very high | 98.2 | Very high | 159 Ų | 159 | 71.5 Ų | 71.5 | 62% | 0.624 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 176.3 | 176.9 | -99.7 | 0 | 0 | 0 | 112.1 | A59 S60 V61 I65 N66 T67 | A59-Y63 WeakPolarHBondContact O-CB 3.29Å; A59-Y63 PolarHBondContact O-N 3.27Å; S60-Y63 PolarHBondContact O-N 3.1Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.02Å; Y63-I65 PolarHBondContact O-N 2.95Å; Y63-N66 PolarHBondContact O-N 3.1Å; Y63-T67 WeakPolarHBondContact O-CB 3.35Å; Y63-T67 PolarHBondContact O-N 3Å; Y63-T67 PolarHBondContact O-OG1 3.3Å |
| 64 | L | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 18% | 0.183 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | -178.8 | -65.6 | 172.7 | 0 | 0 | 0 | 112.3 | A18 L19 S60 V61 L68 | A18-L64 HydrophobicContact CB-CD2 4.06Å; L19-L64 HydrophobicContact CD1-CB 3.48Å; L19-L64 VanDerWaalsContact CD1-CB 3.48Å; L19-L64 HydrophobicContact CD1-CD1 4.42Å; S60-L64 WeakPolarHBondContact O-CG 3.01Å; S60-L64 PolarHBondContact O-N 3.08Å; V61-L64 PolarHBondContact O-N 3.15Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3Å |
| 65 | I | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 68.5 Ų | 68.5 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.9 | -67.8 | 174.2 | 0 | 0 | 0 | 110.3 | L19 V61 Y63 T67 L68 A69 | L19-I65 HydrophobicContact CD1-CG1 4.03Å; V61-I65 HydrophobicContact CG1-CD1 3.7Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.89Å; Y63-I65 PolarHBondContact O-N 2.95Å; I65-T67 PolarHBondContact O-N 3.39Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-A69 VanDerWaalsContact O-CB 3.28Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 3.47Å |
| 66 | N | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 179.8 | 178.7 | 74.4 | 0 | 0 | 0 | 111.5 | A62 Y63 L68 A69 N70 | A62-N66 VanDerWaalsContact O-CB 3.26Å; A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 PolarHBondContact O-N 2.91Å; Y63-N66 PolarHBondContact O-N 3.1Å; N66-L68 PolarHBondContact O-N 3.37Å; N66-A69 PolarHBondContact O-N 2.93Å; N66-N70 PolarHBondContact ND2-ND2 2.89Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 2.89Å; N66-N70 PolarHBondContact OD1-ND2 3.42Å |
| 67 | T | 98.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 67.3 Ų | 67.3 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | Y63 I65 A69 N70 N71 | Y63-T67 WeakPolarHBondContact O-CB 3.35Å; Y63-T67 PolarHBondContact O-N 3Å; Y63-T67 PolarHBondContact O-OG1 3.3Å; I65-T67 PolarHBondContact O-N 3.39Å; T67-A69 PolarHBondContact O-N 2.82Å; T67-N70 PolarHBondContact O-N 3.26Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 2.81Å; T67-N71 PolarHBondContact O-OD1 3.11Å |
| 68 | L | 98.3 | Very high | 98.2 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 179 | -175.4 | 61.1 | 0 | 0 | 0 | 112.3 | I12 R16 L64 I65 N66 N71 V72 | I12-L68 HydrophobicContact CB-CD1 4.33Å; I12-L68 HydrophobicContact CG1-CD1 4.49Å; I12-L68 HydrophobicContact CG2-CD1 3.96Å; R16-L68 HydrophobicContact CG-CD1 4.16Å; R16-L68 HydrophobicContact CG-CD2 3.83Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3Å; I65-L68 PolarHBondContact O-N 3.42Å; N66-L68 PolarHBondContact O-N 3.37Å; L68-N71 PolarHBondContact O-N 2.82Å; L68-V72 VanDerWaalsContact O-CG2 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.5Å |
| 69 | A | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I65 N66 T67 N71 V72 L73 | I65-A69 VanDerWaalsContact O-CB 3.28Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 3.47Å; N66-A69 PolarHBondContact O-N 2.93Å; T67-A69 PolarHBondContact O-N 2.82Å; A69-N71 PolarHBondContact O-N 2.95Å; A69-V72 PolarHBondContact O-N 2.98Å; A69-L73 WeakPolarHBondContact O-CG 3.43Å; A69-L73 PolarHBondContact O-N 3.17Å |
| 70 | N | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.8 | -76.1 | -66.2 | 0 | 0 | 0 | 111.6 | N66 T67 V72 L73 Q74 | N66-N70 PolarHBondContact ND2-ND2 2.89Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 2.89Å; N66-N70 PolarHBondContact OD1-ND2 3.42Å; T67-N70 PolarHBondContact O-N 3.26Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 3.38Å; N70-L73 PolarHBondContact O-N 3.28Å; N70-Q74 WeakPolarHBondContact O-CB 3.26Å; N70-Q74 PolarHBondContact O-N 3.43Å |
| 71 | N | 98.1 | Very high | 98.2 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.2 | -67.2 | 0.3 | 0 | 0 | 0 | 111.9 | L7 I12 T67 L68 A69 M75 | L7-N71 HydrophobicContact CD2-CB 3.69Å; I12-N71 HydrophobicContact CG1-CB 3.94Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 2.81Å; T67-N71 PolarHBondContact O-OD1 3.11Å; L68-N71 PolarHBondContact O-N 2.82Å; A69-N71 PolarHBondContact O-N 2.95Å; N71-M75 WeakPolarHBondContact O-CB 3.35Å; N71-M75 PolarHBondContact O-N 3.25Å |
| 72 | V | 98.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | I12 L68 A69 N70 M75 L76 | I12-V72 HydrophobicContact CD1-CG2 4.16Å; I12-V72 HydrophobicContact CG1-CG2 4.43Å; I12-V72 HydrophobicContact CG2-CG2 4.44Å; L68-V72 VanDerWaalsContact O-CG2 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.5Å; A69-V72 PolarHBondContact O-N 2.98Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 3.38Å; V72-M75 HydrophobicContact CG1-CE 4.3Å; V72-M75 WeakPolarHBondContact O-CB 3.41Å; V72-M75 PolarHBondContact O-N 2.97Å; V72-L76 HydrophobicContact CG1-CD1 4.26Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 98.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 176.5 | -70.1 | 174 | 0 | 0 | 0 | 111.3 | A69 N70 M75 L76 D77 | A69-L73 WeakPolarHBondContact O-CG 3.43Å; A69-L73 PolarHBondContact O-N 3.17Å; N70-L73 PolarHBondContact O-N 3.28Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 2.9Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-L76 VanDerWaalsContact O-N 3.14Å; L73-D77 PolarHBondContact O-N 3.01Å |
| 74 | Q | 97.9 | Very high | 98.1 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 177 | -172.3 | 177.1 | 20.8 | 0 | 0 | 112.1 | E3 L7 N70 L76 D77 I78 | E3-Q74 PolarHBondContact OE1-NE2 3.25Å; L7-Q74 HydrophobicContact CD1-CB 4.25Å; L7-Q74 HydrophobicContact CD1-CG 3.95Å; N70-Q74 WeakPolarHBondContact O-CB 3.26Å; N70-Q74 PolarHBondContact O-N 3.43Å; Q74-L76 PolarHBondContact O-N 2.81Å; Q74-D77 PolarHBondContact O-N 3.48Å; Q74-I78 HydrophobicContact CG-CD1 4.14Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.22Å; Q74-I78 PolarHBondContact O-N 2.94Å |
| 75 | M | 97.9 | Very high | 98.1 | Very high | 27 Ų | 27 | 71 Ų | 71 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.5 | 175.9 | -167.5 | 67.3 | 0 | 0 | 111.7 | L4 L7 L8 I12 N71 V72 L73 I78 Q79 | L4-M75 HydrophobicContact CD1-CB 4.41Å; L4-M75 HydrophobicContact CD1-CG 3.68Å; L7-M75 HydrophobicContact CD1-CB 4.25Å; L8-M75 HydrophobicContact CD2-CG 4.38Å; L8-M75 HydrophobicContact CD2-SD 3.48Å; L8-M75 WeakPolarHBondContact CD2-SD 3.37Å; L8-M75 HydrophobicContact CG-SD 4.3Å; I12-M75 HydrophobicContact CD1-CB 4.07Å; I12-M75 HydrophobicContact CD1-CE 4.25Å; I12-M75 HydrophobicContact CD1-CG 4.37Å; I12-M75 HydrophobicContact CD1-SD 3.61Å; N71-M75 WeakPolarHBondContact O-CB 3.35Å; N71-M75 PolarHBondContact O-N 3.25Å; V72-M75 HydrophobicContact CG1-CE 4.3Å; V72-M75 WeakPolarHBondContact O-CB 3.41Å; V72-M75 PolarHBondContact O-N 2.97Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 2.9Å; M75-I78 PolarHBondContact O-N 2.65Å; M75-Q79 WeakPolarHBondContact O-CG 3.07Å; M75-Q79 PolarHBondContact O-N 2.87Å |
| 76 | L | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 71.9 Ų | 71.9 | 45% | 0.45 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | -179.8 | -67.8 | 174.7 | 0 | 0 | 0 | 111.9 | V72 L73 Q74 I78 Q79 A80 | V72-L76 HydrophobicContact CG1-CD1 4.26Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.08Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-L76 VanDerWaalsContact O-N 3.14Å; Q74-L76 PolarHBondContact O-N 2.81Å; L76-I78 VanDerWaalsContact C-N 3.35Å; L76-I78 PolarHBondContact O-N 3.35Å; L76-Q79 PolarHBondContact O-N 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.37Å |
| 77 | D | 98.1 | Very high | 98.1 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 176.2 | -76.5 | -21.2 | 0 | 0 | 0 | 111.7 | L73 Q74 A80 S81 | L73-D77 PolarHBondContact O-N 3.01Å; Q74-D77 PolarHBondContact O-N 3.48Å; D77-A80 PolarHBondContact O-N 3.03Å; D77-S81 PolarHBondContact O-N 2.91Å |
| 78 | I | 97.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.6 | -66.6 | 164.6 | 0 | 0 | 0 | 110.3 | E3 L4 L7 Q74 M75 L76 S81 Q82 | E3-I78 HydrophobicContact CB-CD1 4.29Å; E3-I78 HydrophobicContact CG-CD1 3.84Å; L4-I78 HydrophobicContact CB-CG2 3.99Å; L4-I78 HydrophobicContact CD1-CB 4.47Å; L4-I78 HydrophobicContact CD1-CG2 4.32Å; L4-I78 HydrophobicContact CD2-CG2 4.31Å; L4-I78 HydrophobicContact CG-CG2 4.44Å; L7-I78 HydrophobicContact CD1-CD1 3.92Å; Q74-I78 HydrophobicContact CG-CD1 4.14Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.22Å; Q74-I78 PolarHBondContact O-N 2.94Å; M75-I78 PolarHBondContact O-N 2.65Å; L76-I78 VanDerWaalsContact C-N 3.35Å; L76-I78 PolarHBondContact O-N 3.35Å; I78-S81 PolarHBondContact O-N 3Å; I78-S81 PolarHBondContact O-OG 3.43Å; I78-Q82 WeakPolarHBondContact O-CG 3.2Å; I78-Q82 PolarHBondContact O-N 3.35Å |
| 79 | Q | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.9 | -73.7 | -177.1 | -32.7 | 0 | 0 | 112.3 | L4 M75 L76 S81 Q82 L83 | L4-Q79 HydrophobicContact CD1-CG 4.17Å; L4-Q79 HydrophobicContact CD2-CG 4.35Å; M75-Q79 WeakPolarHBondContact O-CG 3.07Å; M75-Q79 PolarHBondContact O-N 2.87Å; L76-Q79 PolarHBondContact O-N 3.31Å; Q79-S81 VanDerWaalsContact C-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.07Å; Q79-Q82 WeakPolarHBondContact O-CB 3.5Å; Q79-Q82 PolarHBondContact O-N 2.77Å; Q79-Q82 VanDerWaalsContact O-N 3.1Å; Q79-L83 PolarHBondContact O-N 3.49Å |
| 80 | A | 98 | Very high | 98.1 | Very high | 46 Ų | 46 | 78.9 Ų | 78.9 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L76 D77 R84 | L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.37Å; D77-A80 PolarHBondContact O-N 3.03Å; A80-R84 PolarHBondContact O-N 3.48Å; A80-R84 VanDerWaalsContact O-N 3.13Å |
| 81 | S | 97.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 79.1 Ų | 79.1 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 174.4 | 86 | 0 | 0 | 0 | 0 | 112.8 | D77 I78 Q79 R84 R85 | D77-S81 PolarHBondContact O-N 2.91Å; I78-S81 PolarHBondContact O-N 3Å; I78-S81 PolarHBondContact O-OG 3.43Å; Q79-S81 VanDerWaalsContact C-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.07Å; S81-R84 PolarHBondContact O-N 3.49Å; S81-R85 WeakPolarHBondContact O-CG 3.41Å; S81-R85 PolarHBondContact O-N 2.86Å; S81-R85 VanDerWaalsContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH1 2.84Å; S81-R85 PolarHBondContact OG-NH1 3.48Å |
| 82 | Q | 97.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 83.2 Ų | 83.2 | 19% | 0.192 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 177 | -74.1 | 172.1 | -33.7 | 0 | 0 | 111.4 | M1 I78 Q79 R85 M86 | M1-Q82 PolarHBondContact SD-NE2 2.73Å; I78-Q82 WeakPolarHBondContact O-CG 3.2Å; I78-Q82 PolarHBondContact O-N 3.35Å; Q79-Q82 WeakPolarHBondContact O-CB 3.5Å; Q79-Q82 PolarHBondContact O-N 2.77Å; Q79-Q82 VanDerWaalsContact O-N 3.1Å; Q82-R85 PolarHBondContact O-N 2.97Å; Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.96Å |
| 83 | L | 98 | Very high | 98.1 | Very high | 113 Ų | 113 | 85.5 Ų | 85.5 | 59% | 0.592 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 176.2 | -69.5 | 177.4 | 0 | 0 | 0 | 111.4 | Q79 R85 M86 E87 | Q79-L83 PolarHBondContact O-N 3.49Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.38Å; L83-M86 PolarHBondContact O-N 2.76Å; L83-M86 VanDerWaalsContact O-N 3.12Å; L83-E87 WeakPolarHBondContact O-CB 3.39Å; L83-E87 PolarHBondContact O-N 3.08Å |
| 84 | R | 98.4 | Very high | 98.2 | Very high | 166 Ų | 166 | 83.4 Ų | 83.4 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.9 | -41.6 | 175.2 | -77.1 | -175.4 | -75.8 | 159.5 | -7.4 | 112.9 | A80 S81 S88 | A80-R84 PolarHBondContact O-N 3.48Å; A80-R84 VanDerWaalsContact O-N 3.13Å; S81-R84 PolarHBondContact O-N 3.49Å; R84-S88 PolarHBondContact O-N 3.36Å; R84-S88 VanDerWaalsContact O-N 3.09Å |
| 85 | R | 97.9 | Very high | 98.2 | Very high | 145 Ų | 145 | 84.3 Ų | 84.3 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68 | -40 | 175.4 | -71.4 | -170.2 | -60.8 | -82 | -1.1 | 112.2 | S81 Q82 L83 S88 S89 | S81-R85 WeakPolarHBondContact O-CG 3.41Å; S81-R85 PolarHBondContact O-N 2.86Å; S81-R85 VanDerWaalsContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH1 2.84Å; S81-R85 PolarHBondContact OG-NH1 3.48Å; Q82-R85 PolarHBondContact O-N 2.97Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.38Å; R85-S88 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-N 2.94Å |
| 86 | M | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 87.6 Ų | 87.6 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 178 | -169.7 | -177.6 | -57.3 | 0 | 0 | 111.3 | Q82 L83 S88 S89 I90 | Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.96Å; L83-M86 PolarHBondContact O-N 2.76Å; L83-M86 VanDerWaalsContact O-N 3.12Å; M86-S88 PolarHBondContact O-N 3.4Å; M86-S89 WeakPolarHBondContact O-CB 3.42Å; M86-S89 PolarHBondContact O-N 3.32Å; M86-I90 HydrophobicContact CG-CD1 4.04Å; M86-I90 VanDerWaalsContact O-CG1 3.28Å; M86-I90 WeakPolarHBondContact O-CG1 3.49Å; M86-I90 PolarHBondContact O-N 3.39Å |
| 87 | E | 98 | Very high | 98.3 | Very high | 133 Ų | 133 | 86.8 Ų | 86.8 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.9 | -47.2 | 173.6 | -179.3 | 179.9 | -164.1 | 0 | 0 | 111.3 | L83 S89 I90 N91 | L83-E87 WeakPolarHBondContact O-CB 3.39Å; L83-E87 PolarHBondContact O-N 3.08Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.48Å; E87-I90 PolarHBondContact O-N 3.14Å; E87-N91 WeakPolarHBondContact O-CB 3.37Å; E87-N91 PolarHBondContact O-N 3.42Å |
| 88 | S | 98.5 | Very high | 98.3 | Very high | 57 Ų | 57 | 86 Ų | 86 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | R84 R85 M86 N91 H92 | R84-S88 PolarHBondContact O-N 3.36Å; R84-S88 VanDerWaalsContact O-N 3.09Å; R85-S88 PolarHBondContact O-N 3.27Å; M86-S88 PolarHBondContact O-N 3.4Å; S88-N91 PolarHBondContact O-N 3.39Å; S88-H92 PolarHBondContact O-N 3.43Å; S88-H92 VanDerWaalsContact O-N 3.1Å; S88-H92 PolarHBondContact O-ND1 3.38Å |
| 89 | S | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 89.1 Ų | 89.1 | 46% | 0.462 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | R85 M86 E87 N91 H92 I93 | R85-S89 PolarHBondContact O-N 2.94Å; M86-S89 WeakPolarHBondContact O-CB 3.42Å; M86-S89 PolarHBondContact O-N 3.32Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.48Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-H92 PolarHBondContact O-N 3.41Å; S89-I93 WeakPolarHBondContact O-CG1 3.39Å; S89-I93 PolarHBondContact O-N 3.26Å; S89-I93 VanDerWaalsContact O-N 3.11Å |
| 90 | I | 98.4 | Very high | 98.4 | Very high | 102 Ų | 102 | 90.8 Ų | 90.8 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.6 | -69.7 | 166.9 | 0 | 0 | 0 | 110.6 | M86 E87 H92 I93 S94 | M86-I90 HydrophobicContact CG-CD1 4.04Å; M86-I90 VanDerWaalsContact O-CG1 3.28Å; M86-I90 WeakPolarHBondContact O-CG1 3.49Å; M86-I90 PolarHBondContact O-N 3.39Å; E87-I90 PolarHBondContact O-N 3.14Å; I90-H92 PolarHBondContact O-N 2.92Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.44Å; I90-I93 VanDerWaalsContact O-N 3.17Å; I90-S94 PolarHBondContact O-N 3.41Å |
| 91 | N | 98.6 | Very high | 98.4 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 177.2 | -171.3 | 22.6 | 0 | 0 | 0 | 111.9 | E87 S88 S89 I93 S94 Q95 | E87-N91 WeakPolarHBondContact O-CB 3.37Å; E87-N91 PolarHBondContact O-N 3.42Å; S88-N91 PolarHBondContact O-N 3.39Å; S89-N91 VanDerWaalsContact C-N 3.33Å; N91-I93 VanDerWaalsContact C-N 3.29Å; N91-I93 PolarHBondContact O-N 2.91Å; N91-S94 WeakPolarHBondContact O-CB 3.2Å; N91-S94 PolarHBondContact O-N 3.18Å; N91-Q95 PolarHBondContact ND2-NE2 2.99Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 PolarHBondContact OD1-NE2 2.8Å |
| 92 | H | 98.4 | Very high | 98.5 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 173.6 | -70.5 | 108.2 | 0 | 0 | 0 | 112.5 | S88 S89 I90 T96 | S88-H92 PolarHBondContact O-N 3.43Å; S88-H92 VanDerWaalsContact O-N 3.1Å; S88-H92 PolarHBondContact O-ND1 3.38Å; S89-H92 PolarHBondContact O-N 3.41Å; I90-H92 PolarHBondContact O-N 2.92Å; H92-T96 WeakPolarHBondContact O-CB 3.28Å; H92-T96 PolarHBondContact O-N 3.13Å; H92-T96 PolarHBondContact O-OG1 2.91Å |
| 93 | I | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.5 | -67 | 165.2 | 0 | 0 | 0 | 110.1 | S89 I90 N91 Q95 T96 V97 | S89-I93 WeakPolarHBondContact O-CG1 3.39Å; S89-I93 PolarHBondContact O-N 3.26Å; S89-I93 VanDerWaalsContact O-N 3.11Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.44Å; I90-I93 VanDerWaalsContact O-N 3.17Å; N91-I93 VanDerWaalsContact C-N 3.29Å; N91-I93 PolarHBondContact O-N 2.91Å; I93-Q95 PolarHBondContact O-N 2.99Å; I93-T96 WeakPolarHBondContact O-CB 3.32Å; I93-T96 PolarHBondContact O-N 3.03Å; I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 3Å |
| 94 | S | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 100.3 Ų | 100.3 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 176.7 | -165.5 | 0 | 0 | 0 | 0 | 110.7 | I90 N91 T96 V97 D98 | I90-S94 PolarHBondContact O-N 3.41Å; N91-S94 WeakPolarHBondContact O-CB 3.2Å; N91-S94 PolarHBondContact O-N 3.18Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; S94-V97 CarbonylContact O-C 3.59Å; S94-V97 WeakPolarHBondContact O-CB 3.28Å; S94-V97 PolarHBondContact O-N 3.3Å; S94-D98 VanDerWaalsContact O-CG 3.23Å; S94-D98 PolarHBondContact O-N 2.86Å |
| 95 | Q | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 94.8 Ų | 94.8 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 177.8 | -68.8 | 172.6 | 35 | 0 | 0 | 112.2 | N91 I93 V97 D98 I99 | N91-Q95 PolarHBondContact ND2-NE2 2.99Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 PolarHBondContact OD1-NE2 2.8Å; I93-Q95 PolarHBondContact O-N 2.99Å; Q95-V97 VanDerWaalsContact C-N 3.33Å; Q95-V97 PolarHBondContact O-N 3.27Å; Q95-D98 PolarHBondContact O-N 3.39Å; Q95-I99 WeakPolarHBondContact O-CB 3.22Å; Q95-I99 WeakPolarHBondContact O-CD1 3.05Å; Q95-I99 WeakPolarHBondContact O-CG1 3.44Å; Q95-I99 PolarHBondContact O-N 3.41Å |
| 96 | T | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 95.8 Ų | 95.8 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | H92 I93 S94 H100 | H92-T96 WeakPolarHBondContact O-CB 3.28Å; H92-T96 PolarHBondContact O-N 3.13Å; H92-T96 PolarHBondContact O-OG1 2.91Å; I93-T96 WeakPolarHBondContact O-CB 3.32Å; I93-T96 PolarHBondContact O-N 3.03Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; T96-H100 VanDerWaalsContact O-CB 3.27Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.26Å |
| 97 | V | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.418 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I93 S94 Q95 H100 K101 | I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 3Å; S94-V97 CarbonylContact O-C 3.59Å; S94-V97 WeakPolarHBondContact O-CB 3.28Å; S94-V97 PolarHBondContact O-N 3.3Å; Q95-V97 VanDerWaalsContact C-N 3.33Å; Q95-V97 PolarHBondContact O-N 3.27Å; V97-H100 CarbonylContact O-C 3.47Å; V97-H100 WeakPolarHBondContact O-CB 3.45Å; V97-H100 PolarHBondContact O-N 3.36Å; V97-H100 VanDerWaalsContact O-N 3.12Å; V97-K101 HydrophobicContact CG1-CG 4.16Å; V97-K101 WeakPolarHBondContact O-CB 3.38Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.46Å; V97-K101 PolarHBondContact O-N 3.39Å |
| 98 | D | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -47 | 179.4 | -65.3 | -30.3 | 0 | 0 | 0 | 111.2 | S94 Q95 H100 K101 E102 | S94-D98 VanDerWaalsContact O-CG 3.23Å; S94-D98 PolarHBondContact O-N 2.86Å; Q95-D98 PolarHBondContact O-N 3.39Å; D98-H100 VanDerWaalsContact C-N 3.28Å; D98-H100 PolarHBondContact O-N 3.03Å; D98-K101 PolarHBondContact O-N 3.21Å; D98-E102 WeakPolarHBondContact O-CB 3.42Å; D98-E102 PolarHBondContact O-N 3.01Å |
| 99 | I | 98.8 | Very high | 98.6 | Very high | 91 Ų | 91 | 102 Ų | 102 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 173.3 | -70.5 | 165.4 | 0 | 0 | 0 | 110.7 | Q95 K103 | Q95-I99 WeakPolarHBondContact O-CB 3.22Å; Q95-I99 WeakPolarHBondContact O-CD1 3.05Å; Q95-I99 WeakPolarHBondContact O-CG1 3.44Å; Q95-I99 PolarHBondContact O-N 3.41Å; I99-K103 HydrophobicContact CG2-CD 3.91Å; I99-K103 HydrophobicContact CG2-CG 4.37Å; I99-K103 VanDerWaalsContact O-CB 3.29Å; I99-K103 WeakPolarHBondContact O-CB 3.2Å; I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.27Å; I99-K103 PolarHBondContact O-N 3.45Å |
| 100 | H | 98.9 | Very high | 98.6 | Very high | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 178.8 | 179.4 | 83.2 | 0 | 0 | 0 | 111.6 | T96 V97 D98 E102 K103 V104 | T96-H100 VanDerWaalsContact O-CB 3.27Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.26Å; V97-H100 CarbonylContact O-C 3.47Å; V97-H100 WeakPolarHBondContact O-CB 3.45Å; V97-H100 PolarHBondContact O-N 3.36Å; V97-H100 VanDerWaalsContact O-N 3.12Å; D98-H100 VanDerWaalsContact C-N 3.28Å; D98-H100 PolarHBondContact O-N 3.03Å; H100-E102 VanDerWaalsContact C-N 3.35Å; H100-E102 PolarHBondContact O-N 2.78Å; H100-K103 PolarHBondContact O-N 3.48Å; H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 3.23Å |
| 101 | K | 98.7 | Very high | 98.6 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 177.7 | -70.5 | -68.8 | -175.9 | 179.2 | 0 | 111 | V97 D98 V104 A105 | V97-K101 HydrophobicContact CG1-CG 4.16Å; V97-K101 WeakPolarHBondContact O-CB 3.38Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.46Å; V97-K101 PolarHBondContact O-N 3.39Å; D98-K101 PolarHBondContact O-N 3.21Å; K101-V104 PolarHBondContact O-N 3.02Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 3.49Å |
| 102 | E | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 104.8 Ų | 104.8 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.4 | -178.5 | 62.4 | -171.4 | 0 | 0 | 111.7 | D98 H100 V104 A105 R106 | D98-E102 WeakPolarHBondContact O-CB 3.42Å; D98-E102 PolarHBondContact O-N 3.01Å; H100-E102 VanDerWaalsContact C-N 3.35Å; H100-E102 PolarHBondContact O-N 2.78Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 2.94Å; E102-A105 PolarHBondContact O-N 2.99Å; E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 WeakPolarHBondContact O-CB 3.19Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.02Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 2.81Å; E102-R106 PolarHBondContact OE1-NE 3.44Å; E102-R106 IonicContact OE1-NH2 2.69Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å |
| 103 | K | 98.8 | Very high | 98.6 | Very high | 136 Ų | 136 | 104.2 Ų | 104.2 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 175.7 | -80.8 | 176.2 | 178.1 | 176.3 | 0 | 112.4 | I99 H100 R107 | I99-K103 HydrophobicContact CG2-CD 3.91Å; I99-K103 HydrophobicContact CG2-CG 4.37Å; I99-K103 VanDerWaalsContact O-CB 3.29Å; I99-K103 WeakPolarHBondContact O-CB 3.2Å; I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.27Å; I99-K103 PolarHBondContact O-N 3.45Å; H100-K103 PolarHBondContact O-N 3.48Å; K103-R107 VanDerWaalsContact O-CB 3.24Å; K103-R107 WeakPolarHBondContact O-CB 3.29Å; K103-R107 PolarHBondContact O-N 3.39Å |
| 104 | V | 98.8 | Very high | 98.5 | Very high | 62 Ų | 62 | 105.9 Ų | 105.9 | 38% | 0.376 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110 | H100 K101 E102 R106 R107 E108 | H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 3.23Å; K101-V104 PolarHBondContact O-N 3.02Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 2.94Å; V104-R106 PolarHBondContact O-N 2.68Å; V104-R107 WeakPolarHBondContact O-CB 3.37Å; V104-R107 PolarHBondContact O-N 2.71Å; V104-E108 PolarHBondContact O-N 3.09Å |
| 105 | A | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.5 | -46.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K101 E102 R107 E108 I109 | K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 3.49Å; E102-A105 PolarHBondContact O-N 2.99Å; A105-R107 PolarHBondContact O-N 3.01Å; A105-E108 PolarHBondContact O-N 2.81Å; A105-I109 WeakPolarHBondContact O-CG2 3.42Å; A105-I109 PolarHBondContact O-N 3.12Å |
| 106 | R | 98.6 | Very high | 98.3 | Very high | 167 Ų | 167 | 114.1 Ų | 114.1 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.6 | -37.6 | 176.3 | -75.4 | -168.8 | -173.5 | 179.7 | 8.4 | 113.2 | E102 V104 E108 I109 G110 | E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 WeakPolarHBondContact O-CB 3.19Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.02Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 2.81Å; E102-R106 PolarHBondContact OE1-NE 3.44Å; E102-R106 IonicContact OE1-NH2 2.69Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å; V104-R106 PolarHBondContact O-N 2.68Å; R106-E108 VanDerWaalsContact C-N 3.34Å; R106-I109 WeakPolarHBondContact O-CG2 3.48Å; R106-G110 WeakPolarHBondContact O-CA 3.4Å; R106-G110 PolarHBondContact O-N 2.89Å |
| 107 | R | 98.3 | Very high | 98 | Very high | 185 Ų | 185 | 116.9 Ų | 116.9 | 70% | 0.698 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -44.1 | 174.6 | -179.2 | -174.8 | -64.6 | 169 | -1.4 | 110.6 | K103 V104 A105 G110 I111 | K103-R107 VanDerWaalsContact O-CB 3.24Å; K103-R107 WeakPolarHBondContact O-CB 3.29Å; K103-R107 PolarHBondContact O-N 3.39Å; V104-R107 WeakPolarHBondContact O-CB 3.37Å; V104-R107 PolarHBondContact O-N 2.71Å; A105-R107 PolarHBondContact O-N 3.01Å; R107-G110 PolarHBondContact O-N 3.29Å; R107-I111 PolarHBondContact O-N 2.86Å |
| 108 | E | 98.6 | Very high | 97.9 | Very high | 141 Ų | 141 | 119.1 Ų | 119.1 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -48.8 | -178.4 | -170 | 168.2 | -172.2 | 0 | 0 | 111.8 | V104 A105 R106 G110 I111 | V104-E108 PolarHBondContact O-N 3.09Å; A105-E108 PolarHBondContact O-N 2.81Å; R106-E108 VanDerWaalsContact C-N 3.34Å; E108-G110 VanDerWaalsContact C-N 3.28Å; E108-G110 PolarHBondContact O-N 3.41Å; E108-I111 PolarHBondContact O-N 3.49Å |
| 109 | I | 98.4 | Very high | 97.6 | Very high | 102 Ų | 102 | 119.6 Ų | 119.6 | 52% | 0.523 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.1 | -31.6 | 173.9 | -167.9 | 59.1 | 0 | 0 | 0 | 111.9 | A105 R106 I111 L112 | A105-I109 WeakPolarHBondContact O-CG2 3.42Å; A105-I109 PolarHBondContact O-N 3.12Å; R106-I109 WeakPolarHBondContact O-CG2 3.48Å; I109-I111 PolarHBondContact O-N 3.35Å; I109-L112 HydrophobicContact CD1-CD1 4.26Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.48Å |
| 110 | G | 98.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 126.4 Ų | 126.4 | 30% | 0.299 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59 | -31.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R106 R107 E108 L112 T113 | R106-G110 WeakPolarHBondContact O-CA 3.4Å; R106-G110 PolarHBondContact O-N 2.89Å; R107-G110 PolarHBondContact O-N 3.29Å; E108-G110 VanDerWaalsContact C-N 3.28Å; E108-G110 PolarHBondContact O-N 3.41Å; G110-L112 PolarHBondContact O-N 2.97Å; G110-T113 PolarHBondContact O-N 3.09Å; G110-T113 PolarHBondContact O-OG1 3.3Å |
| 111 | I | 98.1 | Very high | 97.2 | Very high | 137 Ų | 137 | 125.6 Ų | 125.6 | 70% | 0.703 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -30.6 | 173.3 | -58.5 | -63.9 | 0 | 0 | 0 | 111.6 | R107 E108 I109 | R107-I111 PolarHBondContact O-N 2.86Å; E108-I111 PolarHBondContact O-N 3.49Å; I109-I111 PolarHBondContact O-N 3.35Å |
| 112 | L | 98.1 | Very high | 97.1 | Very high | 146 Ų | 146 | 125.4 Ų | 125.4 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 6.6 | -178.4 | -55.8 | 178.8 | 0 | 0 | 0 | 113.1 | I109 G110 | I109-L112 HydrophobicContact CD1-CD1 4.26Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.48Å; G110-L112 PolarHBondContact O-N 2.97Å |
| 113 | T | 97.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 131.7 Ų | 131.7 | 59% | 0.589 | 66% | 0.663 | S | S | * | * | trans | -107.3 | 154.3 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | G110 | G110-T113 PolarHBondContact O-N 3.09Å; G110-T113 PolarHBondContact O-OG1 3.3Å | ||
| 114 | T | 97.1 | Very high | 96.6 | Very high | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 67% | 0.671 | S | S | * | * | trans | -140.7 | 161 | 167.3 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | K116 | T114-K116 PolarHBondContact O-N 2.94Š| ||
| 115 | N | 96.4 | Very high | 96.4 | Very high | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -62.7 | 127.2 | -179 | -71.6 | -22.8 | 0 | 0 | 0 | 110.5 | N117 | N115-N117 PolarHBondContact O-N 3.16Å; N115-N117 PolarHBondContact O-OD1 3.47Å | ||
| 116 | K | 96.4 | Very high | 96.1 | Very high | 184 Ų | 184 | 136.1 Ų | 136.1 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | trans | -81.5 | 106 | 164.7 | 66 | 179.7 | -173.7 | 178.4 | 0 | 108.8 | T114 T118 | T114-K116 PolarHBondContact O-N 2.94Å; K116-T118 HydrophobicContact CG-CG2 4.4Å; K116-T118 PolarHBondContact O-N 2.93Å | ||
| 117 | N | 94 | Very high | 95.9 | Very high | 153 Ų | 153 | 132.4 Ų | 132.4 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -77.9 | 65.9 | 177.4 | -62.2 | 92.9 | 0 | 0 | 0 | 111.1 | N115 | N115-N117 PolarHBondContact O-N 3.16Å; N115-N117 PolarHBondContact O-OD1 3.47Å | ||
| 118 | T | 94.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -88.7 | 118.3 | 173.5 | -172 | 0 | 0 | 0 | 0 | 109.3 | K116 | K116-T118 HydrophobicContact CG-CG2 4.4Å; K116-T118 PolarHBondContact O-N 2.93Å | ||
| 119 | S | 93.6 | Very high | 95.4 | Very high | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -106.2 | 141.2 | 170.8 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 120 | R | 95.4 | Very high | 95.1 | Very high | 234 Ų | 234 | 129.7 Ų | 129.7 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -97.7 | 128.4 | 172 | -168.5 | 175.7 | -170 | -93.8 | 6.1 | 107.8 | ||||
| 121 | T | 94.4 | Very high | 94.9 | Very high | 96 Ų | 96 | 137 Ų | 137 | 59% | 0.589 | 73% | 0.734 | S | S | * | * | trans | -128.5 | 150.6 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | I125 | T121-I125 WeakPolarHBondContact OG1-CD1 3.43Š| ||
| 122 | H | 95.4 | Very high | 94.6 | Very high | 138 Ų | 138 | 140.3 Ų | 140.3 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | -67.7 | 143.6 | 172.8 | -70.5 | -93.7 | 0 | 0 | 0 | 109.4 | I124 I125 | H122-I124 PolarHBondContact O-N 3Å; H122-I125 HydrophobicContact CB-CG1 4.13Å | ||
| 123 | K | 94.8 | Very high | 94.4 | Very high | 220 Ų | 220 | 139.7 Ų | 139.7 | 96% | 0.957 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -58.5 | -32.7 | 177.7 | -67.1 | -179.7 | -179.3 | 176.9 | 0 | 112.2 | ||
| 124 | I | 93.1 | Very high | 94.3 | Very high | 149 Ų | 149 | 141.5 Ų | 141.5 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -131.1 | 122.1 | 177.4 | -56.2 | 173.8 | 0 | 0 | 0 | 106.4 | H122 | H122-I124 PolarHBondContact O-N 3Š| ||
| 125 | I | 94.3 | Very high | 94.2 | Very high | 123 Ų | 123 | 144.5 Ų | 144.5 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | -110.8 | 104.3 | 170.1 | -62 | 172.5 | 0 | 0 | 0 | 105.8 | T121 H122 | T121-I125 WeakPolarHBondContact OG1-CD1 3.43Å; H122-I125 HydrophobicContact CB-CG1 4.13Å | ||
| 126 | A | 92.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 146.9 Ų | 146.9 | 55% | 0.554 | 75% | 0.749 | S | S | * | * | trans | -65 | 139.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L130 | A126-L130 HydrophobicContact CB-CD2 4.37Š| ||
| 127 | P | 93.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 142.8 Ų | 142.8 | 58% | 0.584 | 74% | 0.735 | S | S | * | * | trans | -61.8 | 145.3 | 175.4 | 26.5 | -33.2 | 0 | 0 | 0 | 110.2 | N129 L130 | P127-N129 PolarHBondContact O-N 3.41Å; P127-N129 VanDerWaalsContact O-N 3.12Å; P127-L130 HydrophobicContact CG-CD2 4.36Å | ||
| 128 | A | 92.6 | Very high | 93.9 | Very high | 107 Ų | 107 | 145.7 Ų | 145.7 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -56.9 | -31 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 129 | N | 93.9 | Very high | 93.9 | Very high | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -113.8 | 105.6 | 173.3 | -65.8 | -66.5 | 0 | 0 | 0 | 108.9 | P127 | P127-N129 PolarHBondContact O-N 3.41Å; P127-N129 VanDerWaalsContact O-N 3.12Å |
| 130 | L | 91.8 | Very high | 93.9 | Very high | 128 Ų | 128 | 149.2 Ų | 149.2 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.7 | 171.1 | -63.7 | 177.9 | 0 | 0 | 0 | 109.7 | A126 P127 R132 | A126-L130 HydrophobicContact CB-CD2 4.37Å; P127-L130 HydrophobicContact CG-CD2 4.36Å; L130-R132 PolarHBondContact O-N 2.95Å |
| 131 | E | 93.6 | Very high | 93.8 | Very high | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 124.5 | 176.9 | -173.9 | 176.7 | 170 | 0 | 0 | 109.7 | P133 | E131-P133 WeakPolarHBondContact O-CD 3.21Š|
| 132 | R | 92.8 | Very high | 93.6 | Very high | 206 Ų | 206 | 143.8 Ų | 143.8 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.6 | -178.1 | -66.4 | -173.2 | 179.7 | 109.9 | 1.1 | 109.2 | L130 V134 | L130-R132 PolarHBondContact O-N 2.95Å; R132-V134 PolarHBondContact O-N 3.43Å |
| 133 | P | 93.6 | Very high | 93.4 | Very high | 133 Ų | 133 | 146.2 Ų | 146.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -58.1 | 112.7 | 175.1 | -25.3 | 34.8 | 0 | 0 | 0 | 111.2 | E131 | E131-P133 WeakPolarHBondContact O-CD 3.21Š| ||
| 134 | V | 94.8 | Very high | 93.2 | Very high | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 121.9 | 179.8 | -177 | 0 | 0 | 0 | 0 | 109.6 | R132 Y136 | R132-V134 PolarHBondContact O-N 3.43Å; V134-Y136 PolarHBondContact O-N 3.21Å |
| 135 | R | 94.9 | Very high | 93.3 | Very high | 198 Ų | 198 | 137.5 Ų | 137.5 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 127.1 | 176.8 | -173.5 | 171.2 | 65.1 | 101.8 | -0.9 | 110.4 | ||
| 136 | Y | 95.4 | Very high | 93.2 | Very high | 186 Ų | 186 | 136.9 Ų | 136.9 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137 | 174 | 175.9 | -104 | 0 | 0 | 0 | 111.8 | V134 R138 | V134-Y136 PolarHBondContact O-N 3.21Å; Y136-R138 HydrophobicContact CE1-CG 3.51Å |
| 137 | I | 93 | Very high | 93.1 | Very high | 98 Ų | 98 | 135.1 Ų | 135.1 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | trans | -134.3 | 125.2 | 175.8 | -59.8 | 172.3 | 0 | 0 | 0 | 107.8 | K139 | I137-K139 PolarHBondContact O-N 3Š| ||
| 138 | R | 93.6 | Very high | 93 | Very high | 213 Ų | 213 | 137.1 Ų | 137.1 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 117.8 | 173.7 | -63.7 | -179.1 | 72 | -140.6 | 2.1 | 108.9 | Y136 | Y136-R138 HydrophobicContact CE1-CG 3.51Š| ||
| 139 | K | 94.8 | Very high | 93 | Very high | 176 Ų | 176 | 137.9 Ų | 137.9 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | trans | -111 | 135.6 | 168 | -63.1 | -176.1 | 179.4 | -177.7 | 0 | 108 | I137 | I137-K139 PolarHBondContact O-N 3Š| ||
| 140 | P | 92.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -60.6 | 159.9 | 171.7 | 27.6 | -33.4 | 0 | 0 | 0 | 109.9 | D142 | P140-D142 PolarHBondContact O-N 3.2Å; P140-D142 VanDerWaalsContact O-N 3.12Å | ||
| 141 | I | 93.6 | Very high | 92.6 | Very high | 133 Ų | 133 | 138.2 Ų | 138.2 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | trans | -61.7 | 119.1 | 175.4 | -58.2 | 172.3 | 0 | 0 | 0 | 107.8 | Y143 | I141-Y143 HydrophobicContact CG2-CD1 3.94Å; I141-Y143 HydrophobicContact CG2-CD2 4.43Å; I141-Y143 HydrophobicContact CG2-CE1 3.52Å; I141-Y143 HydrophobicContact CG2-CE2 4.07Å; I141-Y143 HydrophobicContact CG2-CG 4.37Å | ||
| 142 | D | 91.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 131.1 Ų | 131.1 | 44% | 0.444 | 65% | 0.654 | S | S | . | * | trans | -106.2 | 105.8 | 175.8 | -177.5 | -4.4 | 0 | 0 | 0 | 108.1 | P140 T144 I145 | P140-D142 PolarHBondContact O-N 3.2Å; P140-D142 VanDerWaalsContact O-N 3.12Å; D142-T144 PolarHBondContact O-N 2.93Å; D142-T144 WeakPolarHBondContact OD1-CB 3.38Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.39Å; D142-I145 HydrophobicContact CB-CG2 3.66Å; D142-I145 VanDerWaalsContact CG-CG2 3.46Å; D142-I145 WeakPolarHBondContact OD2-CG2 3.15Å | ||
| 143 | Y | 91.1 | Very high | 91.6 | Very high | 189 Ų | 189 | 127.5 Ų | 127.5 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -7.4 | -179.9 | -63.5 | -67.6 | 0 | 0 | 0 | 112.9 | I141 | I141-Y143 HydrophobicContact CG2-CD1 3.94Å; I141-Y143 HydrophobicContact CG2-CD2 4.43Å; I141-Y143 HydrophobicContact CG2-CE1 3.52Å; I141-Y143 HydrophobicContact CG2-CE2 4.07Å; I141-Y143 HydrophobicContact CG2-CG 4.37Å |
| 144 | T | 90.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 127.6 Ų | 127.6 | 41% | 0.411 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -8 | -176.2 | 69 | 0 | 0 | 0 | 0 | 113.9 | D142 L146 D147 | D142-T144 PolarHBondContact O-N 2.93Å; D142-T144 WeakPolarHBondContact OD1-CB 3.38Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.39Å; T144-L146 PolarHBondContact O-N 3.49Å; T144-D147 WeakPolarHBondContact CB-OD2 3.4Å; T144-D147 WeakPolarHBondContact O-CB 3.33Å; T144-D147 PolarHBondContact O-N 2.84Å |
| 145 | I | 93.6 | Very high | 90.3 | Very high | 119 Ų | 119 | 126.8 Ų | 126.8 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -14.4 | -176.2 | 67.3 | -178.4 | 0 | 0 | 0 | 114.3 | D142 | D142-I145 HydrophobicContact CB-CG2 3.66Å; D142-I145 VanDerWaalsContact CG-CG2 3.46Å; D142-I145 WeakPolarHBondContact OD2-CG2 3.15Å |
| 146 | L | 92.9 | Very high | 88.5 | Confident | 110 Ų | 110 | 122.4 Ų | 122.4 | 58% | 0.576 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -1.4 | 178.1 | -55.5 | -179.5 | 0 | 0 | 0 | 112.7 | T144 D148 I149 | T144-L146 PolarHBondContact O-N 3.49Å; L146-D148 PolarHBondContact O-N 3.38Å; L146-D148 VanDerWaalsContact O-N 3.16Å; L146-I149 HydrophobicContact CD2-CD1 3.79Å; L146-I149 PolarHBondContact O-N 3.1Å |
| 147 | D | 90.2 | Very high | 86.6 | Confident | 30 Ų | 30 | 119.8 Ų | 119.8 | 16% | 0.16 | 64% | 0.64 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -24.6 | -175.2 | -74.9 | -0 | 0 | 0 | 0 | 112.8 | T144 G152 K154 | T144-D147 WeakPolarHBondContact CB-OD2 3.4Å; T144-D147 WeakPolarHBondContact O-CB 3.33Å; T144-D147 PolarHBondContact O-N 2.84Å; D147-G152 VanDerWaalsContact O-CA 3.27Å; D147-G152 WeakPolarHBondContact O-CA 3.25Å; D147-K154 HydrophobicContact CB-CG 4.38Å |
| 148 | D | 91.7 | Very high | 84.4 | Confident | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 1.7 | 178.2 | -58.7 | -37.8 | 0 | 0 | 0 | 112.5 | L146 K154 | L146-D148 PolarHBondContact O-N 3.38Å; L146-D148 VanDerWaalsContact O-N 3.16Å; D148-K154 IonicContact OD1-NZ 2.93Å; D148-K154 PolarHBondContact OD1-NZ 3.32Å |
| 149 | I | 92.7 | Very high | 82.3 | Confident | 123 Ų | 123 | 120.5 Ų | 120.5 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 109.4 | 175.5 | -58.6 | 177.9 | 0 | 0 | 0 | 109.1 | L146 | L146-I149 HydrophobicContact CD2-CD1 3.79Å; L146-I149 PolarHBondContact O-N 3.1Å |
| 150 | G | 90.4 | Very high | 79.9 | Confident | 69 Ų | 69 | 121.2 Ų | 121.2 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | -133.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 151 | H | 87.9 | Confident | 77.5 | Confident | 200 Ų | 200 | 125 Ų | 125 | 93% | 0.926 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 68.8 | 177.9 | -63.3 | 85.4 | 0 | 0 | 0 | 109.6 | ||
| 152 | G | 82.6 | Confident | 74.9 | Confident | 36 Ų | 36 | 127.9 Ų | 127.9 | 37% | 0.371 | 68% | 0.681 | S | S | . | * | trans | -65.1 | 150.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D147 | D147-G152 VanDerWaalsContact O-CA 3.27Å; D147-G152 WeakPolarHBondContact O-CA 3.25Å | ||
| 153 | V | 81.3 | Confident | 72.3 | Confident | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 70% | 0.697 | S | S | * | * | trans | -107.2 | 102.9 | -179.5 | 63 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 154 | K | 84.9 | Confident | 69.6 | Low | 135 Ų | 135 | 122 Ų | 122 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | trans | -75.6 | 131.9 | -177.8 | -55.3 | -165.7 | 179.4 | -150.3 | 0 | 109.7 | D147 D148 S156 | D147-K154 HydrophobicContact CB-CG 4.38Å; D148-K154 IonicContact OD1-NZ 2.93Å; D148-K154 PolarHBondContact OD1-NZ 3.32Å; K154-S156 PolarHBondContact O-N 2.82Å | ||
| 155 | V | 76.2 | Confident | 67.2 | Low | 116 Ų | 116 | 127 Ų | 127 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | trans | -65.7 | 115.5 | 173.8 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | T157 | V155-T157 PolarHBondContact O-N 3.17Š| ||
| 156 | S | 57.2 | Low | 65 | Low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -82.6 | 99.1 | 178.2 | -173 | 0 | 0 | 0 | 0 | 109.7 | K154 Q158 | K154-S156 PolarHBondContact O-N 2.82Å; S156-Q158 PolarHBondContact O-N 3.4Å | ||
| 157 | T | 57.3 | Low | 62.9 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -79.6 | 93 | 173.2 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | V155 | V155-T157 PolarHBondContact O-N 3.17Š| ||
| 158 | Q | 46.6 | Very low | 60.4 | Low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -83.6 | 107.2 | 156.7 | -81.3 | -171.2 | -13.9 | 0 | 0 | 110.1 | S156 | S156-Q158 PolarHBondContact O-N 3.4Š| ||
| 159 | N | 48 | Very low | 58 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 21.7 | 97.6 | 145.8 | -144.4 | 48.7 | 0 | 0 | 0 | 118.1 | ||||
| 160 | M | 44.9 | Very low | 55.5 | Low | 190 Ų | 190 | 134.9 Ų | 134.9 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | -129.4 | 112.9 | 153 | -80.8 | -66.8 | 166 | 0 | 0 | 109.9 | ||||
| 161 | K | 42.3 | Very low | 53.2 | Low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -85.7 | 118.3 | -179.5 | 179 | 161.8 | 179.7 | 172.3 | 0 | 109.1 | ||||
| 162 | M | 39.1 | Very low | 51.4 | Low | 194 Ų | 194 | 133.6 Ų | 133.6 | 96% | 0.956 | 76% | 0.764 | S | S | * | * | trans | -138 | 120.2 | 160.4 | -142.6 | 174.7 | -135.4 | 0 | 0 | 108.6 | ||||
| 163 | G | 36 | Very low | 49.4 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -93.2 | 158.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 164 | G | 35.6 | Very low | 47.7 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 122.3 | 94 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 165 | L | 40.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | -178.4 | 149.7 | 99.2 | -87.2 | 167.1 | 0 | 0 | 0 | 109.9 | |||||
| 166 | P | 46.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | trans | -81 | 139.5 | -159.2 | 31.3 | -33.5 | 0 | 0 | 0 | 113.5 | T168 | P166-T168 PolarHBondContact O-N 3.2Š| ||
| 167 | R | 49.9 | Very low | 43.8 | Very low | 225 Ų | 225 | 142.8 Ų | 142.8 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 111.1 | 164.8 | 173 | 178.7 | 142.1 | -155.3 | -4.1 | 111.3 | T169 | R167-T169 HydrophobicContact CG-CG2 4.46Š| ||
| 168 | T | 36.8 | Very low | 43.5 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -106.3 | 106.7 | 160.5 | 60.8 | 0 | 0 | 0 | 0 | 108.5 | P166 | P166-T168 PolarHBondContact O-N 3.2Š| ||
| 169 | T | 41.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | -107.9 | 114.9 | 163 | 47.6 | 0 | 0 | 0 | 0 | 107.9 | R167 | R167-T169 HydrophobicContact CG-CG2 4.46Š| ||
| 170 | P | 40.2 | Very low | 43.5 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 170.6 | 172.4 | -12.5 | 28.3 | 0 | 0 | 0 | 112.3 | ||||
| 171 | P | 42.7 | Very low | 43.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 164.3 | -161 | 33.8 | -34.9 | 0 | 0 | 0 | 113.9 | Q173 | P171-Q173 PolarHBondContact O-N 2.86Š| ||
| 172 | T | 50.4 | Low | 43.1 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -42.6 | 115.2 | 168.5 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 173 | Q | 39.5 | Very low | 42.9 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -139.7 | 115.1 | 156.3 | -68.6 | -169.1 | 9.2 | 0 | 0 | 109 | P171 P175 | P171-Q173 PolarHBondContact O-N 2.86Å; Q173-P175 WeakPolarHBondContact O-CD 3.12Å | ||
| 174 | K | 46.2 | Very low | 42.8 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 120.4 | 169.1 | -174.6 | -177.2 | -173.4 | -176.9 | 0 | 107.6 | ||
| 175 | P | 44.8 | Very low | 42.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 160.4 | 168.5 | -6.9 | 26.5 | 0 | 0 | 0 | 110.8 | Q173 | Q173-P175 WeakPolarHBondContact O-CD 3.12Š|
| 176 | P | 46.5 | Very low | 42.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 153.9 | -149.8 | 34.4 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 177 | S | 43.8 | Very low | 41.7 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 137.7 | 150.5 | -49.3 | 0 | 0 | 0 | 0 | 107.2 | ||
| 178 | P | 50.7 | Low | 40.9 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | -156.9 | -173.3 | 92.5 | 39 | -16.5 | 0 | 0 | 0 | 113.4 | |||||
| 179 | P | 46.8 | Very low | 40.7 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -128.8 | 161.2 | 8.7 | 38.6 | -20.2 | 0 | 0 | 0 | 117.7 | ||||
| 180 | M | 48.5 | Very low | 40.2 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -78.5 | 155.7 | 166.9 | -63.1 | -179.5 | 69.9 | 0 | 0 | 111.7 | ||||
| 181 | S | 40.3 | Very low | 39.9 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -162.5 | 126.3 | 141.6 | -71.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 182 | G | 38.2 | Very low | 39.6 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | cis | 166.1 | 169.8 | 4.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 183 | K | 35.9 | Very low | 38.7 | Very low | 223 Ų | 223 | 124.8 Ų | 124.8 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | 83.1 | 126.8 | 169.6 | -142.5 | 169.7 | -173.8 | -178.8 | 0 | 114.4 | ||||
| 184 | G | 33.6 | Very low | 38.4 | Very low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | cis | 173.9 | 136.9 | 0.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 185 | T | 33.8 | Very low | 37.8 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 38.3 | 114.9 | 147.3 | -22.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 186 | L | 34.5 | Very low | 37.3 | Very low | 169 Ų | 169 | 119 Ų | 119 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | 167.1 | 127.6 | 112.8 | -88.5 | 157 | 0 | 0 | 0 | 113.3 | |||||
| 187 | G | 32.2 | Very low | 37.4 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 56.1 | 105.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 188 | S | 31.1 | Very low | 37.1 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -86 | 141.4 | 165.1 | 167.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 189 | S | 33 | Very low | 36.4 | Very low | 125 Ų | 125 | 118 Ų | 118 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 170.4 | 130.8 | 142.4 | -68.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 190 | G | 31.5 | Very low | 35.7 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | 160.3 | 135.4 | 1.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 191 | S | 33.5 | Very low | 35.2 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | 59.2 | 149.8 | 160.1 | -66.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 192 | S | 36.9 | Very low | 34.8 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | 179.3 | 147.1 | -3.6 | 45.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 193 | G | 32.4 | Very low | 34.5 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 105.5 | 112.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 194 | G | 32.7 | Very low | 34.8 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | 82.6 | 105 | 114.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 195 | S | 33.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | 78.8 | 109.4 | 125.9 | -53.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 196 | H | 35.1 | Very low | 34.8 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | 55.9 | 166.9 | 139 | -62.7 | -107.1 | 0 | 0 | 0 | 120.4 | ||||
| 197 | P | 48.3 | Very low | 35 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | -120.1 | 163.8 | -65.5 | 34.7 | -18.7 | 0 | 0 | 0 | 112.6 | |||||
| 198 | S | 36.7 | Very low | 35.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -8.9 | 122.3 | 159.2 | 42.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 199 | S | 36.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -177.5 | 109.9 | 135.7 | -78.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 200 | R | 33.2 | Very low | 35.4 | Very low | 251 Ų | 251 | 123.9 Ų | 123.9 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -178.8 | 132 | 148.9 | -103.4 | 159 | 164.4 | -173.2 | -7.2 | 112 | ||||
| 201 | S | 36.2 | Very low | 35.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -51.4 | 135 | 175.7 | -50.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 202 | S | 32.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -87 | 122 | 140.2 | 46.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 203 | S | 32.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 52.2 | 95 | 53.8 | -160.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 204 | R | 40.7 | Very low | 36.5 | Very low | 225 Ų | 225 | 127.6 Ų | 127.6 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | 42.6 | 123.4 | 134.9 | -78.2 | 179.4 | 166.4 | 177.5 | -4.2 | 120.1 | ||||
| 205 | E | 32.9 | Very low | 36.9 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | -158.7 | 105.1 | 123.8 | 26.7 | -169.5 | 75 | 0 | 0 | 104.4 | |||||
| 206 | N | 35 | Very low | 37.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 48.9 | 100.2 | 59.9 | -164 | 48.7 | 0 | 0 | 0 | 114.9 | |||||
| 207 | S | 39.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 178.7 | 142.6 | 112.8 | -70.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 208 | G | 34 | Very low | 36.8 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | 143.7 | 105.2 | 13.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 209 | S | 36.2 | Very low | 37.1 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 120.3 | 160.2 | -77 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 210 | G | 34.3 | Very low | 37.4 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -74.4 | 164.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 211 | S | 41.8 | Very low | 38 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 176.2 | 153.4 | 106.2 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 212 | V | 38.4 | Very low | 38.7 | Very low | 137 Ų | 137 | 125 Ų | 125 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | 87.2 | 102.9 | 153.1 | -159.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 213 | G | 37.3 | Very low | 39.2 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 161.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 214 | V | 40.3 | Very low | 39.5 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99 | 151.6 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 215 | P | 40.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68 | 149.2 | -167.7 | 25.5 | -39.1 | 0 | 0 | 0 | 116.6 | ||
| 216 | I | 38.2 | Very low | 39.6 | Very low | 167 Ų | 167 | 117.3 Ų | 117.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90 | 130.9 | 167 | -69 | 174.2 | 0 | 0 | 0 | 109.2 | ||
| 217 | A | 38.8 | Very low | 39.7 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 146.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 218 | V | 37.6 | Very low | 40 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.8 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 219 | P | 42.5 | Very low | 40 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80 | 127.3 | 178.3 | 29.2 | -28.9 | 0 | 0 | 0 | 112.1 | ||
| 220 | T | 43.4 | Very low | 40.5 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.4 | 164.4 | 31.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 221 | P | 45.2 | Very low | 40.5 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 138.2 | -177.1 | 29.8 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 222 | S | 50.8 | Low | 40.1 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.6 | 170.4 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 223 | P | 43.8 | Very low | 39.9 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.9 | 179.8 | 30.4 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 224 | P | 39.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 127.4 | 179.9 | 29.6 | -32.6 | 0 | 0 | 0 | 112 | V226 | P224-V226 PolarHBondContact O-N 3.18Š|
| 225 | S | 38.3 | Very low | 39.4 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -77.1 | 106.2 | 167.2 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 226 | V | 37 | Very low | 39.2 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 67% | 0.667 | 81% | 0.806 | S | S | * | * | trans | -130.1 | 112.2 | 164.1 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | P224 | P224-V226 PolarHBondContact O-N 3.18Š| ||
| 227 | F | 36.6 | Very low | 39.8 | Very low | 192 Ų | 192 | 116.8 Ų | 116.8 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | 176.5 | 148.4 | 117.3 | -107.3 | -89 | 0 | 0 | 0 | 111 | |||||
| 228 | P | 45.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -87.2 | 156.5 | -178.2 | 9.2 | 11.6 | 0 | 0 | 0 | 111.9 | ||||
| 229 | A | 33.7 | Very low | 40.7 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -63 | 159.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 230 | P | 46.1 | Very low | 40.8 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -122.1 | 146.9 | 138.5 | 34.6 | -24.6 | 0 | 0 | 0 | 112.3 | ||||
| 231 | A | 35.2 | Very low | 40.5 | Very low | 109 Ų | 109 | 117 Ų | 117 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -67.6 | 157.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 232 | G | 33.8 | Very low | 39.9 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 155.8 | 93.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 233 | S | 33.8 | Very low | 39.2 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 65.4 | 113.9 | 138.3 | -92.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 234 | A | 35.2 | Very low | 38.7 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | 71.4 | 121.5 | 114.1 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 235 | G | 32.9 | Very low | 38.5 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 153.9 | 86.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 236 | T | 36 | Very low | 38.4 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 177.3 | 160.9 | 40.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 237 | P | 49.2 | Very low | 38.5 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | cis | -135.7 | -145.7 | -37.8 | 36.3 | -14.1 | 0 | 0 | 0 | 110.6 | ||||
| 238 | P | 56.3 | Low | 38.8 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | -122.7 | 166.6 | -54.8 | 26.7 | -5.6 | 0 | 0 | 0 | 115.7 | |||||
| 239 | L | 38.8 | Very low | 38.5 | Very low | 161 Ų | 161 | 116.8 Ų | 116.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 9.6 | 148.8 | 146 | -71.5 | 169.6 | 0 | 0 | 0 | 121.2 | ||||
| 240 | P | 45.9 | Very low | 38.6 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | -149.7 | 171.2 | 62.5 | 38.6 | -16.7 | 0 | 0 | 0 | 118.9 | |||||
| 241 | A | 36.5 | Very low | 38.4 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -67.8 | 143.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 242 | T | 33.4 | Very low | 38.8 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -146.6 | 131.2 | 151.7 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 243 | S | 34.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -62.3 | 139.7 | 165.6 | -44.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 244 | A | 34.4 | Very low | 38.9 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -164.4 | 137.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 245 | S | 34.4 | Very low | 38.9 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 151.8 | -169.5 | -50 | 0 | 0 | 0 | 0 | 114.9 | ||
| 246 | V | 36.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.6 | 166.2 | -179 | 0 | 0 | 0 | 0 | 109.9 | ||
| 247 | P | 40 | Very low | 39.5 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 131.7 | 164.4 | 32.2 | -26.2 | 0 | 0 | 0 | 111.2 | ||
| 248 | T | 41.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 160.6 | 168.5 | 28.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 249 | P | 39.6 | Very low | 37.7 | Very low | 126 Ų | 126 | 127 Ų | 127 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 144 | -169.2 | -6.7 | 24.8 | 0 | 0 | 0 | 114.1 | ||
| 250 | L | 36.3 | Very low | 37.5 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 130 | 174.2 | -80.7 | 146.5 | 0 | 0 | 0 | 112.4 | ||
| 251 | V | 41.4 | Very low | 37.8 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 137.8 | 161.5 | -99.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 252 | P | 42.8 | Very low | 37.5 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.1 | 177.8 | -12.9 | 29.3 | 0 | 0 | 0 | 114 | ||
| 253 | A | 32.2 | Very low | 37.5 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 151.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 254 | T | 37.6 | Very low | 37.3 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -126.9 | 139.7 | 157.7 | -13.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 255 | V | 35.4 | Very low | 37.2 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 166.8 | -170.5 | -95.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | P | 44.8 | Very low | 37 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -106.8 | 175.1 | -138.3 | 40.9 | -36.7 | 0 | 0 | 0 | 116 | ||||
| 257 | S | 36.5 | Very low | 36.6 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -140.2 | 120.5 | 155.5 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 258 | S | 33.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 152.7 | 161.9 | 134.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 259 | T | 34.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | -168.6 | 145.4 | 35.3 | -4.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 260 | A | 35.4 | Very low | 35.4 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -112.6 | 166.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 261 | P | 51 | Low | 35.3 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | -150.3 | -165.7 | 58.3 | 40.4 | -16.2 | 0 | 0 | 0 | 111.7 | |||||
| 262 | D | 31.8 | Very low | 34.9 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | cis | -169.8 | 161.5 | 14.2 | -149.3 | -14 | 0 | 0 | 0 | 110.3 | ||||
| 263 | A | 32.3 | Very low | 34.4 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 81% | 0.81 | S | S | * | * | trans | 52.6 | 117.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 264 | A | 31.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 117 Ų | 117 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | 100.2 | 154 | 86.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 265 | A | 32.4 | Very low | 34.1 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | cis | -171.9 | 167.4 | -13.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 266 | G | 29.5 | Very low | 33.9 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 116.8 | 119 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 267 | G | 29.1 | Very low | 33.6 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | cis | 86.3 | 125.8 | 46.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 268 | A | 32.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | cis | -166.1 | 157.8 | 13.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | Q | 32 | Very low | 34.3 | Very low | 193 Ų | 193 | 119.6 Ų | 119.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 38.9 | 131.3 | 143.1 | -63.5 | -172.8 | -26.4 | 0 | 0 | 125.3 | ||||
| 270 | S | 31.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | 177.6 | 121.8 | 110.3 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 271 | L | 33.9 | Very low | 35.5 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | 65.2 | 110.3 | 97.4 | -98 | 151.9 | 0 | 0 | 0 | 117.4 | |||||
| 272 | A | 33.1 | Very low | 34.7 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 163.7 | 158.7 | 121.7 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 273 | D | 32.2 | Very low | 35 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -65 | 166.5 | -162.9 | -60 | -83.3 | 0 | 0 | 0 | 120.1 | ||||
| 274 | G | 30.4 | Very low | 34.9 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 138 | 96.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 275 | F | 31.2 | Very low | 35 | Very low | 202 Ų | 202 | 124 Ų | 124 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | 44.6 | 128.3 | 135.2 | -132 | -108.5 | 0 | 0 | 0 | 122.4 | ||||
| 276 | T | 32.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | 128.2 | 126.6 | 142.4 | 59.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 277 | S | 38.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -91.3 | 154 | 163.2 | -168.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 278 | P | 47.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -149.4 | 152.3 | 107.2 | 33.3 | -13.9 | 0 | 0 | 0 | 117.4 | |||||
| 279 | T | 37.6 | Very low | 36.7 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 4.1 | 145.6 | 145.3 | -28.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 280 | P | 43.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 163 | -178.4 | 36.3 | -37.3 | 0 | 0 | 0 | 114.5 | ||
| 281 | P | 50.3 | Low | 36.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 146 | 178.9 | 35.1 | -30.8 | 0 | 0 | 0 | 114.1 | ||
| 282 | V | 36 | Very low | 36.9 | Very low | 137 Ų | 137 | 127 Ų | 127 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 141 | 164.8 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 283 | I | 36.2 | Very low | 37 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -130.5 | 135.4 | 164.1 | -65.2 | 179.8 | 0 | 0 | 0 | 109.7 | ||||
| 284 | S | 32.1 | Very low | 37.1 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -117.9 | 153.6 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 285 | S | 32.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 88 | 115.5 | 152.3 | 65.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 286 | N | 34.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -37.6 | -177 | 159.6 | -87.5 | 13.2 | 0 | 0 | 0 | 120.1 | ||||
| 287 | P | 50.2 | Low | 37.3 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | cis | -133.2 | -170.5 | -18.5 | 35.1 | -13.3 | 0 | 0 | 0 | 113.6 | ||||
| 288 | P | 41.8 | Very low | 37.3 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | -153.1 | 149.4 | 90.8 | 37.6 | -16.1 | 0 | 0 | 0 | 118.7 | |||||
| 289 | T | 33.9 | Very low | 36.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | 20.5 | 133.7 | 145.1 | 58.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 290 | G | 29.4 | Very low | 36.6 | Very low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 150.5 | 99.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 291 | H | 35.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | trans | 79.3 | 124.8 | 156.1 | -62.2 | -74.9 | 0 | 0 | 0 | 122.4 | ||||
| 292 | P | 36.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -100.6 | 143.2 | 174.1 | 37.2 | -29.3 | 0 | 0 | 0 | 113.4 | ||||
| 293 | V | 34.9 | Very low | 35.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -109.4 | 134 | 167.4 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 294 | Q | 34.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 131.3 | -168.5 | -64.1 | -85.9 | -27.6 | 0 | 0 | 113.6 | ||||
| 295 | F | 31.6 | Very low | 35.7 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -106 | 119.3 | 156.4 | -94.5 | -89 | 0 | 0 | 0 | 108.6 | S297 | F295-S297 PolarHBondContact O-N 2.89Š| ||
| 296 | Y | 34 | Very low | 35.9 | Very low | 206 Ų | 206 | 150.1 Ų | 150.1 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -74 | 117.3 | 170.9 | -73.2 | -88.5 | 0 | 0 | 0 | 109.2 | ||||
| 297 | S | 33.5 | Very low | 36.3 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -113.6 | 116.3 | 164.8 | -154.7 | 0 | 0 | 0 | 0 | 108 | F295 N299 | F295-S297 PolarHBondContact O-N 2.89Å; S297-N299 PolarHBondContact O-N 3.32Å | ||
| 298 | M | 36.5 | Very low | 36.3 | Very low | 179 Ų | 179 | 149 Ų | 149 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -66.6 | 92.2 | 176.8 | -103.6 | 70.8 | 166.9 | 0 | 0 | 109.9 | ||||
| 299 | N | 35 | Very low | 35.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -96.2 | 115.6 | 157.5 | -97.6 | 5.7 | 0 | 0 | 0 | 108.5 | S297 | S297-N299 PolarHBondContact O-N 3.32Š| ||
| 300 | R | 35.8 | Very low | 36 | Very low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 136.4 | 171.3 | -160.1 | 175.5 | -167.9 | -150.7 | 2.7 | 110.1 | ||
| 301 | P | 38.7 | Very low | 36 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 164.5 | -172.2 | 33.1 | -35.6 | 0 | 0 | 0 | 114.6 | ||
| 302 | A | 34.5 | Very low | 35.9 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 156.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 303 | S | 34.2 | Very low | 35.8 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -118.5 | 129.9 | 152.2 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 304 | R | 31.8 | Very low | 35.9 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -111.1 | 113.6 | -177.9 | -179.2 | -174.4 | -174.8 | -149.7 | 3 | 106.1 | ||||
| 305 | H | 39.6 | Very low | 36.9 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 125 | 171.5 | -94.9 | -66.4 | 0 | 0 | 0 | 110.9 | ||
| 306 | T | 36.7 | Very low | 37 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 140.9 | 173.7 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 307 | P | 43.7 | Very low | 37 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 153.6 | 166.7 | 33.3 | -30.7 | 0 | 0 | 0 | 111.4 | ||
| 308 | P | 50.8 | Low | 37.1 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 144.1 | 176.6 | 32.2 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 309 | T | 32.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 129 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 310 | I | 36.7 | Very low | 37.6 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -111.9 | 126 | 158 | -71.8 | 170.9 | 0 | 0 | 0 | 107.1 | ||||
| 311 | G | 30.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 152.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 312 | G | 31.9 | Very low | 37.2 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -171.8 | 91.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 313 | S | 34.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -4.7 | 126.1 | 164.4 | 50.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 314 | L | 38 | Very low | 37.1 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | 72.7 | 163.3 | 123.7 | -60.5 | 178.4 | 0 | 0 | 0 | 120.4 | |||||
| 315 | P | 54 | Low | 37.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | -137.1 | 154.7 | -89.6 | 33.8 | -11.1 | 0 | 0 | 0 | 114.9 | |||||
| 316 | Y | 33.8 | Very low | 36.7 | Very low | 246 Ų | 246 | 140.9 Ų | 140.9 | 97% | 0.965 | 80% | 0.804 | S | S | * | * | trans | -144.9 | 135.4 | 148.5 | -114.9 | -86.9 | 0 | 0 | 0 | 111.2 | ||||
| 317 | R | 34.4 | Very low | 36.4 | Very low | 228 Ų | 228 | 140.8 Ų | 140.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -106 | 136.3 | -165 | -178.9 | -150.5 | -106.4 | -120 | 7.2 | 109.8 | ||||
| 318 | R | 35 | Very low | 35.9 | Very low | 242 Ų | 242 | 142.7 Ų | 142.7 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -154.8 | 134.5 | 149 | -163.8 | 174.4 | -94.3 | -165.8 | -4.1 | 111 | ||||
| 319 | P | 43.2 | Very low | 35 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95 | 167.4 | -167.6 | 37.1 | -34.3 | 0 | 0 | 0 | 114.4 | ||
| 320 | P | 39.1 | Very low | 35.1 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 148.5 | 174.3 | 35.9 | -30.2 | 0 | 0 | 0 | 112.3 | ||
| 321 | S | 33.5 | Very low | 35 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 151.6 | 176.1 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 322 | I | 32.8 | Very low | 35.2 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.3 | -161.9 | -162 | 163.3 | 0 | 0 | 0 | 114.5 | ||
| 323 | T | 32.2 | Very low | 35.4 | Very low | 119 Ų | 119 | 155 Ų | 155 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | -22.7 | 139.2 | 150.9 | -63.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 324 | S | 33.5 | Very low | 35.2 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -154.2 | 118.4 | 139.1 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 325 | Q | 33.3 | Very low | 35 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 144.1 | 159.5 | -69.4 | -179.7 | -33.5 | 0 | 0 | 109.7 | ||||
| 326 | T | 30 | Very low | 34.8 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 121.3 | 148.1 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 327 | S | 31.1 | Very low | 34.8 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -106.4 | 150.5 | 164.8 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 328 | L | 33 | Very low | 34.9 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | 151.1 | 143.4 | 162.6 | -83.9 | 173.9 | 0 | 0 | 0 | 106.6 | ||||
| 329 | Q | 31.3 | Very low | 34.8 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | cis | -174 | 145.4 | -17.5 | -178.8 | 77.5 | 16.3 | 0 | 0 | 104.7 | ||||
| 330 | N | 35.1 | Very low | 34.3 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -26 | 145 | 171.4 | -75.8 | -11.2 | 0 | 0 | 0 | 119.5 | ||||
| 331 | Q | 34.2 | Very low | 34.2 | Very low | 203 Ų | 203 | 148 Ų | 148 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | -143.3 | 144.4 | 129.5 | -80.1 | -148.9 | -17.3 | 0 | 0 | 112.3 | |||||
| 332 | M | 35.3 | Very low | 34.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -110.8 | 151.3 | -171.4 | -163.7 | 91.1 | 107.1 | 0 | 0 | 109.8 | ||||
| 333 | N | 34.8 | Very low | 34.9 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | 103 | 129.3 | 138.8 | -132.2 | 51.8 | 0 | 0 | 0 | 121 | ||||
| 334 | G | 31.6 | Very low | 35.1 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 139.3 | 98.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 335 | G | 34.6 | Very low | 35.6 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -78.6 | -171.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 336 | P | 49.9 | Very low | 36.1 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -143.1 | 166.3 | 88.6 | 37.3 | -20.5 | 0 | 0 | 0 | 116.4 | |||||
| 337 | F | 34 | Very low | 37 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -76.9 | 150.9 | -177.1 | -74.4 | -103 | 0 | 0 | 0 | 114.4 | ||||
| 338 | Y | 34.6 | Very low | 38.2 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | -138.5 | 134.7 | 135.5 | -119.2 | -86.2 | 0 | 0 | 0 | 109.4 | ||||
| 339 | N | 33.9 | Very low | 38.8 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -112 | 138.2 | -176.1 | -139.9 | 8.8 | 0 | 0 | 0 | 107.8 | ||||
| 340 | Q | 32.5 | Very low | 40 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -176.4 | 118.3 | 143.5 | -105.3 | 177.8 | 88.6 | 0 | 0 | 111.6 | ||||
| 341 | N | 37.5 | Very low | 41.1 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -73 | 162.2 | 168.9 | -116.7 | 32.8 | 0 | 0 | 0 | 110.2 | ||||
| 342 | P | 43.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -148.1 | 153 | 63.4 | 34.2 | -11.9 | 0 | 0 | 0 | 118 | |||||
| 343 | V | 37.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | 22.9 | 115.3 | 139.8 | -152.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 344 | S | 35.8 | Very low | 42.7 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -134.2 | 116.1 | 155.3 | -70.4 | 0 | 0 | 0 | 0 | 108.5 | T346 | S344-T346 PolarHBondContact O-N 2.84Š| ||
| 345 | D | 44 | Very low | 43 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -48.4 | 125.8 | 172.7 | -80.6 | -62.9 | 0 | 0 | 0 | 111.5 | ||||
| 346 | T | 43.3 | Very low | 43.6 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -116.7 | 127.1 | 156.4 | 43.8 | 0 | 0 | 0 | 0 | 107.1 | S344 | S344-T346 PolarHBondContact O-N 2.84Š| ||
| 347 | P | 49.7 | Very low | 43.5 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 152.8 | -173.5 | 30.5 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 348 | P | 55.2 | Low | 43.7 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 156.8 | 174 | 29.7 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 349 | P | 46.9 | Very low | 43.9 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 144.3 | 177.7 | 28.1 | -33.9 | 0 | 0 | 0 | 111.1 | ||
| 350 | P | 55.3 | Low | 44.4 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 151.7 | -176.8 | 29.5 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 351 | P | 58.2 | Low | 45 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 159.5 | 172.3 | 31.1 | -34.4 | 0 | 0 | 0 | 111.9 | V353 | P351-V353 PolarHBondContact O-N 2.95Š|
| 352 | P | 45.5 | Very low | 45.7 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.4 | -179.5 | 29.6 | -31.3 | 0 | 0 | 0 | 109.9 | ||
| 353 | V | 45.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 119.6 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | P351 | P351-V353 PolarHBondContact O-N 2.95Š|
| 354 | E | 48.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.7 | 163 | -68.4 | -179.9 | 147.6 | 0 | 0 | 110 | ||
| 355 | E | 37.8 | Very low | 46.9 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -166.3 | 165.5 | 157.6 | -85.6 | -136.6 | 171.4 | 0 | 0 | 108.4 | ||||
| 356 | P | 47.2 | Very low | 47.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -124 | 172 | -71.9 | 28.6 | -6.9 | 0 | 0 | 0 | 111.9 | |||||
| 357 | V | 47 | Very low | 47.4 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -75.9 | 128.3 | 176.9 | -178 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 358 | F | 37.3 | Very low | 47.2 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 167.7 | 141.4 | 148.7 | -119.4 | -115.7 | 0 | 0 | 0 | 107.6 | ||||
| 359 | D | 38.9 | Very low | 46.8 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | cis | -161.3 | 141.9 | 6.2 | -171.9 | 14.8 | 0 | 0 | 0 | 106.2 | S361 | D359-S361 PolarHBondContact O-N 3.34Š| ||
| 360 | E | 45.2 | Very low | 46.2 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -87.4 | 104.7 | -174.8 | -172.6 | 141.6 | 129.8 | 0 | 0 | 109.8 | ||||
| 361 | S | 44 | Very low | 45.6 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 132 | 167.5 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | D359 | D359-S361 PolarHBondContact O-N 3.34Š|
| 362 | P | 53.2 | Low | 44.4 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 151.2 | -173.5 | 28.3 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 363 | P | 46.9 | Very low | 44.5 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 153.1 | 175.3 | 29.1 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 364 | P | 44 | Very low | 44.1 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 155.3 | 178.4 | 29.3 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 365 | P | 51.6 | Low | 43.5 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 153.6 | -177.1 | 28.7 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 366 | P | 49.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 149 | 174.8 | 29.3 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 367 | P | 47.7 | Very low | 43.4 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.3 | 171.9 | 29.5 | -32.1 | 0 | 0 | 0 | 111.2 | ||
| 368 | P | 45.4 | Very low | 43.3 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.4 | -172.8 | 26.5 | -32.8 | 0 | 0 | 0 | 113.2 | D370 | P368-D370 PolarHBondContact O-N 3.35Š|
| 369 | E | 47 | Very low | 43.5 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -65.5 | 114.9 | 166.3 | -69 | 179 | 167.9 | 0 | 0 | 109.6 | Y371 | E369-Y371 HydrophobicContact CB-CD2 4.23Å; E369-Y371 HydrophobicContact CB-CE2 3.85Å; E369-Y371 HydrophobicContact CG-CE2 4.44Å; E369-Y371 WeakPolarHBondContact OE2-CE2 3.39Å; E369-Y371 PolarHBondContact OE2-OH 2.82Å | ||
| 370 | D | 33.4 | Very low | 43.8 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -106.9 | 115.8 | 152.5 | -92 | -30.9 | 0 | 0 | 0 | 107.7 | P368 | P368-D370 PolarHBondContact O-N 3.35Š| ||
| 371 | Y | 43.9 | Very low | 43.4 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -77.6 | 117.3 | 170.8 | -70.6 | -104.6 | 0 | 0 | 0 | 108.4 | E369 | E369-Y371 HydrophobicContact CB-CD2 4.23Å; E369-Y371 HydrophobicContact CB-CE2 3.85Å; E369-Y371 HydrophobicContact CG-CE2 4.44Å; E369-Y371 WeakPolarHBondContact OE2-CE2 3.39Å; E369-Y371 PolarHBondContact OE2-OH 2.82Å | ||
| 372 | E | 32 | Very low | 43.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -130.2 | 107.5 | 146.1 | -73.2 | -169.2 | 167.4 | 0 | 0 | 108.5 | E374 | E372-E374 PolarHBondContact O-N 3.28Š| ||
| 373 | E | 47.3 | Very low | 42.9 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -67 | 105.4 | 168.6 | 179.9 | 175.2 | -160.7 | 0 | 0 | 108.3 | ||||
| 374 | E | 38.2 | Very low | 42.9 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -111.9 | 120.5 | 164 | -81.8 | -161.4 | 153.7 | 0 | 0 | 110.3 | E372 | E372-E374 PolarHBondContact O-N 3.28Š| ||
| 375 | E | 36.8 | Very low | 43.3 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -48.7 | 150.2 | 179.4 | -80.1 | -175.1 | 121.8 | 0 | 0 | 114.3 | A377 | E375-A377 PolarHBondContact O-N 3.18Å; E375-A377 VanDerWaalsContact O-N 3.1Å | ||
| 376 | A | 46.3 | Very low | 43.3 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -40.9 | 109.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 377 | A | 36.1 | Very low | 43.5 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -103.8 | 88.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108 | E375 V379 | E375-A377 PolarHBondContact O-N 3.18Å; E375-A377 VanDerWaalsContact O-N 3.1Å; A377-V379 HydrophobicContact CB-CG2 4.41Å; A377-V379 PolarHBondContact O-N 2.95Å | ||
| 378 | V | 44.1 | Very low | 44.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -61.8 | 95.5 | 155.4 | 175.8 | 0 | 0 | 0 | 0 | 105.4 | E380 | V378-E380 PolarHBondContact O-N 3.49Š| ||
| 379 | V | 41 | Very low | 45.2 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -73 | 90.6 | 170.9 | -177 | 0 | 0 | 0 | 0 | 106.2 | A377 Y381 | A377-V379 HydrophobicContact CB-CG2 4.41Å; A377-V379 PolarHBondContact O-N 2.95Å; V379-Y381 VanDerWaalsContact C-N 3.26Å; V379-Y381 HydrophobicContact CG1-CD2 4.11Å; V379-Y381 PolarHBondContact O-N 2.87Å | ||
| 380 | E | 45.6 | Very low | 46.6 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -62.7 | 89.8 | 168.7 | -173.2 | 173.3 | -173.1 | 0 | 0 | 108.3 | V378 S382 | V378-E380 PolarHBondContact O-N 3.49Å; E380-S382 PolarHBondContact O-N 3.48Å; E380-S382 VanDerWaalsContact O-N 3.15Å | ||
| 381 | Y | 37.4 | Very low | 48.5 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | trans | -79.2 | 93.2 | 174.1 | -137.6 | -92.4 | 0 | 0 | 0 | 107.5 | V379 D383 | V379-Y381 VanDerWaalsContact C-N 3.26Å; V379-Y381 HydrophobicContact CG1-CD2 4.11Å; V379-Y381 PolarHBondContact O-N 2.87Å; Y381-D383 PolarHBondContact O-N 3.06Å; Y381-D383 VanDerWaalsContact O-N 3.08Å | ||
| 382 | S | 40.6 | Very low | 50.1 | Low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | -68.6 | 101.8 | 167.9 | -67.5 | 0 | 0 | 0 | 0 | 108.6 | E380 P384 | E380-S382 PolarHBondContact O-N 3.48Å; E380-S382 VanDerWaalsContact O-N 3.15Å; S382-P384 VanDerWaalsContact O-CD 3.3Å; S382-P384 WeakPolarHBondContact O-CD 3.37Å | ||
| 383 | D | 45.1 | Very low | 52.4 | Low | 98 Ų | 98 | 127.6 Ų | 127.6 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | trans | -69.5 | 114.5 | 165.6 | -174.9 | -10.1 | 0 | 0 | 0 | 108.6 | Y381 Y385 A386 | Y381-D383 PolarHBondContact O-N 3.06Å; Y381-D383 VanDerWaalsContact O-N 3.08Å; D383-Y385 PolarHBondContact O-N 2.9Å; D383-Y385 PolarHBondContact OD1-N 2.76Å; D383-Y385 VanDerWaalsContact OD1-N 3.1Å; D383-A386 HydrophobicContact CB-CB 4.19Å; D383-A386 PolarHBondContact O-N 3.42Å | ||
| 384 | P | 48.8 | Very low | 54.2 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 5.8 | -177.3 | 30 | -34.2 | 0 | 0 | 0 | 114.1 | S382 | S382-P384 VanDerWaalsContact O-CD 3.3Å; S382-P384 WeakPolarHBondContact O-CD 3.37Å |
| 385 | Y | 51.1 | Low | 56.1 | Low | 205 Ų | 205 | 123 Ų | 123 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 1.3 | 174.9 | -95.3 | -90.8 | 0 | 0 | 0 | 115 | D383 E387 | D383-Y385 PolarHBondContact O-N 2.9Å; D383-Y385 PolarHBondContact OD1-N 2.76Å; D383-Y385 VanDerWaalsContact OD1-N 3.1Å; Y385-E387 PolarHBondContact O-N 3.11Å |
| 386 | A | 51.6 | Low | 58.3 | Low | 71 Ų | 71 | 118 Ų | 118 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -76.3 | 92.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | D383 E388 | D383-A386 HydrophobicContact CB-CB 4.19Å; D383-A386 PolarHBondContact O-N 3.42Å; A386-E388 PolarHBondContact O-N 3.25Å; A386-E388 VanDerWaalsContact O-N 3.16Å |
| 387 | E | 53.2 | Low | 60.2 | Low | 181 Ų | 181 | 117.6 Ų | 117.6 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | trans | -35.7 | 121.4 | 168.1 | -67.5 | -88.2 | 140.4 | 0 | 0 | 109.5 | Y385 D389 | Y385-E387 PolarHBondContact O-N 3.11Å; E387-D389 PolarHBondContact O-N 3.49Å | ||
| 388 | E | 62.9 | Low | 62.7 | Low | 187 Ų | 187 | 119.1 Ų | 119.1 | 87% | 0.874 | 62% | 0.616 | S | S | * | * | trans | -43.6 | 131 | 174.4 | -70.5 | -174.1 | 157.9 | 0 | 0 | 108.8 | A386 | A386-E388 PolarHBondContact O-N 3.25Å; A386-E388 VanDerWaalsContact O-N 3.16Å | ||
| 389 | D | 67.5 | Low | 64.9 | Low | 73 Ų | 73 | 115 Ų | 115 | 39% | 0.39 | 59% | 0.588 | S | S | . | * | trans | -47.9 | 132.7 | 178.3 | -83.6 | -48.5 | 0 | 0 | 0 | 108.7 | E387 A393 Y397 K400 Y424 | E387-D389 PolarHBondContact O-N 3.49Å; D389-A393 HydrophobicContact CB-CB 3.94Å; D389-Y397 PolarHBondContact OD2-OH 2.88Å; D389-K400 IonicContact OD1-NZ 3.21Å; D389-Y424 WeakPolarHBondContact OD1-CE1 3.36Å; D389-Y424 PolarHBondContact OD1-OH 3.25Å | ||
| 390 | P | 76.2 | Confident | 67.4 | Low | 43 Ų | 43 | 113.1 Ų | 113.1 | 28% | 0.279 | 57% | 0.571 | S | S | . | * | trans | -50.5 | 148.8 | -173.9 | -27.2 | 32.5 | 0 | 0 | 0 | 111 | W392 A393 | P390-W392 HydrophobicContact CB-CD2 3.98Å; P390-W392 VanDerWaalsContact CB-CE2 3.44Å; P390-W392 HydrophobicContact CB-CG 4.04Å; P390-W392 HydrophobicContact CB-CZ2 3.98Å; P390-W392 HydrophobicContact CG-CZ2 3.82Å; P390-W392 PolarHBondContact O-N 2.95Å; P390-A393 WeakPolarHBondContact O-CB 3.41Å; P390-A393 PolarHBondContact O-N 3.29Å | ||
| 391 | P | 73.4 | Confident | 69.7 | Low | 136 Ų | 136 | 105.1 Ų | 105.1 | 88% | 0.883 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.2 | -175.6 | 23.5 | -34.7 | 0 | 0 | 0 | 114 | ||
| 392 | W | 76.9 | Confident | 72.4 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.7 | 174.3 | 59.6 | -103.9 | 0 | 0 | 0 | 113.7 | P390 Y424 V437 | P390-W392 HydrophobicContact CB-CD2 3.98Å; P390-W392 VanDerWaalsContact CB-CE2 3.44Å; P390-W392 HydrophobicContact CB-CG 4.04Å; P390-W392 HydrophobicContact CB-CZ2 3.98Å; P390-W392 HydrophobicContact CG-CZ2 3.82Å; P390-W392 PolarHBondContact O-N 2.95Å; W392-Y424 HydrophobicContact CH2-CD2 4.07Å; W392-Y424 AromaticContact CH2-CE2 3.72Å; W392-Y424 HydrophobicContact CH2-CE2 3.72Å; W392-Y424 AromaticContact CZ3-CD2 3.77Å; W392-Y424 HydrophobicContact CZ3-CD2 3.77Å; W392-Y424 AromaticContact CZ3-CE2 3.8Å; W392-Y424 HydrophobicContact CZ3-CE2 3.8Å; W392-V437 HydrophobicContact CE3-CG1 4.14Å; W392-V437 HydrophobicContact CZ3-CG1 4.35Å |
| 393 | A | 80.6 | Confident | 75 | Confident | 16 Ų | 16 | 92.7 Ų | 92.7 | 13% | 0.132 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -65.8 | 135.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D389 P390 Y424 | D389-A393 HydrophobicContact CB-CB 3.94Å; P390-A393 WeakPolarHBondContact O-CB 3.41Å; P390-A393 PolarHBondContact O-N 3.29Å; A393-Y424 HydrophobicContact CB-CD2 4.4Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å; A393-Y424 HydrophobicContact CB-CE2 4.06Å |
| 394 | P | 83.9 | Confident | 77.5 | Confident | 26 Ų | 26 | 90.6 Ų | 90.6 | 17% | 0.169 | 46% | 0.464 | C | S | . | . | trans | -63.4 | 139.7 | 178 | 26.1 | -32.9 | 0 | 0 | 0 | 110.1 | A396 Y397 Y424 I426 V437 | P394-A396 PolarHBondContact O-N 2.79Å; P394-Y397 HydrophobicContact CG-CD1 4.46Å; P394-Y397 WeakPolarHBondContact O-CD1 3.3Å; P394-Y424 HydrophobicContact CG-CG 4.42Å; P394-I426 HydrophobicContact CB-CD1 4.06Å; P394-I426 HydrophobicContact CB-CG1 4.5Å; P394-I426 HydrophobicContact CG-CD1 4.12Å; P394-I426 HydrophobicContact CG-CG1 4.22Å; P394-V437 HydrophobicContact CG-CB 4.22Å; P394-V437 HydrophobicContact CG-CG2 4.38Å | ||
| 395 | R | 78.4 | Confident | 79.6 | Confident | 258 Ų | 258 | 91 Ų | 91 | 97% | 0.974 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -67.2 | -17.9 | 178.2 | -66 | -177 | -178.5 | 164.3 | 0.3 | 113.7 | ||
| 396 | A | 82.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 86 Ų | 86 | 65% | 0.653 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -134.4 | 119.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P394 | P394-A396 PolarHBondContact O-N 2.79Š|
| 397 | Y | 87.1 | Confident | 83.8 | Confident | 89 Ų | 89 | 83.8 Ų | 83.8 | 35% | 0.349 | 41% | 0.414 | S | S | . | . | trans | -144 | 152.5 | 174.8 | 57.4 | -89.4 | 0 | 0 | 0 | 108.2 | D389 P394 Y424 V425 | D389-Y397 PolarHBondContact OD2-OH 2.88Å; P394-Y397 HydrophobicContact CG-CD1 4.46Å; P394-Y397 WeakPolarHBondContact O-CD1 3.3Å; Y397-Y424 AromaticContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CE1 4.43Å; Y397-Y424 AromaticContact CD2-CD1 3.97Å; Y397-Y424 HydrophobicContact CD2-CD1 3.97Å; Y397-Y424 AromaticContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CE1 4.01Å; Y397-Y424 AromaticContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CE1 4.43Å; Y397-Y424 AromaticContact CG-CD1 3.84Å; Y397-Y424 HydrophobicContact CG-CD1 3.84Å; Y397-Y424 AromaticContact CZ-CD1 3.89Å; Y397-V425 CarbonylContact C-O 3.58Å; Y397-V425 WeakPolarHBondContact CA-O 3.34Å; Y397-V425 WeakPolarHBondContact CB-O 3.39Å | ||
| 398 | L | 88.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 60% | 0.602 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -74.2 | -47.3 | 177.6 | -76.9 | 93.3 | 0 | 0 | 0 | 111.2 | V425 I426 | L398-V425 PolarHBondContact N-O 2.86Å; L398-I426 WeakPolarHBondContact CD1-O 3.27Å |
| 399 | E | 90.9 | Very high | 87.1 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 160.2 | -176.3 | 61.4 | 177.1 | -148.5 | 0 | 0 | 112.1 | V401 V425 K428 | E399-V401 HydrophobicContact CG-CG1 3.93Å; E399-V401 WeakPolarHBondContact OE1-CG1 3.48Å; E399-V425 HydrophobicContact CG-CB 3.87Å; E399-V425 HydrophobicContact CG-CG1 4.5Å; E399-V425 HydrophobicContact CG-CG2 3.92Å; E399-V425 PolarHBondContact O-N 2.92Å; E399-K428 WeakPolarHBondContact OE1-CE 3.41Å; E399-K428 IonicContact OE1-NZ 2.68Å; E399-K428 PolarHBondContact OE1-NZ 3.27Å; E399-K428 IonicContact OE2-NZ 3.98Å; E399-K428 PolarHBondContact OE2-NZ 3.43Å |
| 400 | K | 92.3 | Very high | 88.1 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.2 | 173 | -163.6 | -178.1 | -174.6 | 162.3 | 0 | 108.7 | D389 I422 Y424 I453 | D389-K400 IonicContact OD1-NZ 3.21Å; K400-I422 HydrophobicContact CD-CG2 4.12Å; K400-I422 HydrophobicContact CG-CG2 3.82Å; K400-Y424 HydrophobicContact CD-CE1 4.4Å; K400-Y424 HydrophobicContact CG-CE1 4.37Å; K400-I453 HydrophobicContact CD-CD1 4.2Å; K400-I453 HydrophobicContact CG-CD1 3.89Å; K400-I453 PolarHBondContact O-N 3.12Å |
| 401 | V | 94.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.6 | -178.5 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | E399 I422 I423 V425 F445 V450 E451 | E399-V401 HydrophobicContact CG-CG1 3.93Å; E399-V401 WeakPolarHBondContact OE1-CG1 3.48Å; V401-I422 WeakPolarHBondContact O-CA 3.36Å; V401-I423 HydrophobicContact CG2-CB 3.84Å; V401-I423 WeakPolarHBondContact CG2-O 3.48Å; V401-I423 PolarHBondContact N-O 2.91Å; V401-I423 PolarHBondContact O-N 3.43Å; V401-V425 HydrophobicContact CB-CG2 4.36Å; V401-V425 HydrophobicContact CG1-CG2 3.68Å; V401-V425 HydrophobicContact CG2-CG2 3.7Å; V401-F445 HydrophobicContact CG2-CZ 4.36Å; V401-V450 HydrophobicContact CB-CB 3.91Å; V401-V450 HydrophobicContact CB-CG2 4.03Å; V401-V450 HydrophobicContact CG1-CG2 4.35Å; V401-V450 HydrophobicContact CG2-CB 3.75Å; V401-V450 HydrophobicContact CG2-CG1 3.99Å; V401-V450 HydrophobicContact CG2-CG2 3.85Å; V401-E451 CarbonylContact C-O 3.59Å; V401-E451 WeakPolarHBondContact CA-O 3.36Å; V401-E451 WeakPolarHBondContact CB-O 3.48Å |
| 402 | V | 95 | Very high | 89.5 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.8 | 173.1 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | I404 A421 I422 V450 E451 I453 | V402-I404 PolarHBondContact O-N 2.87Å; V402-A421 CarbonylContact C-O 3.49Å; V402-A421 WeakPolarHBondContact CA-O 3.43Å; V402-I422 HydrophobicContact CB-CD1 4.4Å; V402-I422 HydrophobicContact CG2-CD1 4.41Å; V402-V450 CarbonylContact O-C 3.51Å; V402-V450 WeakPolarHBondContact O-CA 3.49Å; V402-E451 HydrophobicContact CG1-CB 4.36Å; V402-E451 PolarHBondContact N-O 2.92Å; V402-E451 PolarHBondContact O-N 2.68Å; V402-I453 HydrophobicContact CB-CD1 3.77Å; V402-I453 HydrophobicContact CB-CG1 3.9Å; V402-I453 HydrophobicContact CG1-CD1 4.48Å; V402-I453 HydrophobicContact CG1-CG1 4.09Å |
| 403 | A | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 86.6 Ų | 86.6 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 129 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F417 Q418 G420 A421 Y449 | A403-F417 HydrophobicContact CB-CD2 3.39Å; A403-F417 HydrophobicContact CB-CE2 3.56Å; A403-F417 HydrophobicContact CB-CG 4.43Å; A403-Q418 WeakPolarHBondContact CB-O 3.26Å; A403-G420 PolarHBondContact O-N 3.34Å; A403-A421 HydrophobicContact CB-CB 4.24Å; A403-A421 PolarHBondContact N-O 3.23Å; A403-Y449 WeakPolarHBondContact CA-O 3.45Å |
| 404 | I | 96 | Very high | 91 | Very high | 54 Ų | 54 | 86.4 Ų | 86.4 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -99.5 | -7.6 | 175.5 | 54.9 | 164.6 | 0 | 0 | 0 | 112.4 | V402 Y449 E451 | V402-I404 PolarHBondContact O-N 2.87Å; I404-Y449 VanDerWaalsContact CG1-O 3.29Å; I404-Y449 WeakPolarHBondContact CG1-O 3.32Å; I404-Y449 PolarHBondContact N-O 3.37Å; I404-E451 HydrophobicContact CG2-CB 3.93Å |
| 405 | Y | 93.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 85.3 Ų | 85.3 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -145.3 | 156.3 | 174.6 | -57.2 | -66.4 | 0 | 0 | 0 | 110.5 | F417 Y449 | Y405-F417 WeakPolarHBondContact O-CE2 3.49Å; Y405-Y449 HydrophobicContact CD2-CD1 4.36Å; Y405-Y449 HydrophobicContact CD2-CG 4.46Å; Y405-Y449 HydrophobicContact CG-CD1 4.45Å |
| 406 | D | 95.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 75.1 Ų | 75.1 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | trans | -66.4 | 139.9 | 168.2 | -66.6 | -22.9 | 0 | 0 | 0 | 110.9 | Q418 E419 | D406-Q418 WeakPolarHBondContact OD1-CA 3.28Å; D406-E419 PolarHBondContact OD1-N 2.94Å | ||
| 407 | Y | 95.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 71.9 Ų | 71.9 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 126.2 | 173.5 | -176.7 | -113 | 0 | 0 | 0 | 110.8 | E414 L415 S416 F417 W433 F445 P446 Y449 | Y407-E414 PolarHBondContact OH-OE2 2.85Å; Y407-L415 WeakPolarHBondContact CD1-O 3.38Å; Y407-S416 CarbonylContact O-C 3.58Å; Y407-S416 WeakPolarHBondContact O-CA 3.46Å; Y407-S416 WeakPolarHBondContact O-CB 3.38Å; Y407-F417 HydrophobicContact CD1-CD1 4.47Å; Y407-F417 AromaticContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CZ 4.13Å; Y407-F417 HydrophobicContact CG-CE1 4.3Å; Y407-F417 HydrophobicContact CG-CZ 4.15Å; Y407-F417 PolarHBondContact N-O 2.81Å; Y407-F417 PolarHBondContact O-N 2.96Å; Y407-F417 VanDerWaalsContact O-O 3.06Å; Y407-W433 WeakPolarHBondContact OH-CH2 3.45Å; Y407-W433 WeakPolarHBondContact OH-CZ3 3.45Å; Y407-F445 HydrophobicContact CD1-CB 4.27Å; Y407-F445 HydrophobicContact CE1-CB 4.31Å; Y407-P446 HydrophobicContact CD1-CG 4.49Å; Y407-P446 HydrophobicContact CD2-CG 3.9Å; Y407-P446 HydrophobicContact CE1-CG 4.43Å; Y407-P446 HydrophobicContact CE2-CG 3.85Å; Y407-P446 HydrophobicContact CG-CG 4.25Å; Y407-Y449 HydrophobicContact CD2-CD1 4.34Å; Y407-Y449 HydrophobicContact CD2-CE1 4.21Å |
| 408 | T | 94.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 74.7 Ų | 74.7 | 66% | 0.656 | 37% | 0.369 | S | S | * | . | trans | -107.7 | 133.2 | 175.2 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 409 | K | 91.6 | Very high | 93.5 | Very high | 105 Ų | 105 | 75.7 Ų | 75.7 | 46% | 0.457 | 37% | 0.371 | S | S | . | . | trans | -66.7 | 134.1 | -180 | 70 | -175.3 | -172.7 | 169.8 | 0 | 110.6 | E414 S416 | K409-E414 HydrophobicContact CB-CB 3.68Å; K409-E414 WeakPolarHBondContact CB-O 3.33Å; K409-E414 VanDerWaalsContact CD-O 3.27Å; K409-E414 WeakPolarHBondContact CD-O 3.43Å; K409-S416 WeakPolarHBondContact CB-OG 3.39Å; K409-S416 WeakPolarHBondContact CG-OG 3.47Å; K409-S416 PolarHBondContact N-OG 3.23Å | ||
| 410 | D | 88.6 | Confident | 93.5 | Very high | 146 Ų | 146 | 75.7 Ų | 75.7 | 78% | 0.781 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -94.8 | -29 | 171.2 | -73.5 | -26.1 | 0 | 0 | 0 | 110.8 | E414 | D410-E414 WeakPolarHBondContact CA-OE2 3.46Å; D410-E414 PolarHBondContact N-OE2 3.22Å |
| 411 | K | 91.3 | Very high | 93.5 | Very high | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -117.5 | 165.9 | 177.1 | -57.5 | 177.1 | -166.2 | 143.6 | 0 | 112.8 | D413 E414 | K411-D413 VanDerWaalsContact C-N 3.29Å; K411-D413 WeakPolarHBondContact CB-OD1 3.46Å; K411-D413 PolarHBondContact O-N 3.26Å; K411-E414 HydrophobicContact CB-CG 4.14Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 VanDerWaalsContact N-OE2 3.07Å; K411-E414 IonicContact NZ-OE1 2.92Å; K411-E414 PolarHBondContact O-N 3.29Å |
| 412 | E | 88.3 | Confident | 93.4 | Very high | 190 Ų | 190 | 76 Ų | 76 | 89% | 0.888 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25.6 | -176.6 | -66.1 | -174.5 | 176.2 | 0 | 0 | 113.5 | ||
| 413 | D | 92.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3.6 | 178.6 | 58.3 | -41.1 | 0 | 0 | 0 | 113.9 | K411 G443 L444 | K411-D413 VanDerWaalsContact C-N 3.29Å; K411-D413 WeakPolarHBondContact CB-OD1 3.46Å; K411-D413 PolarHBondContact O-N 3.26Å; D413-G443 CarbonylContact O-C 3.51Å; D413-G443 VanDerWaalsContact O-CA 3.32Å; D413-G443 WeakPolarHBondContact O-CA 3.33Å; D413-L444 PolarHBondContact O-N 3.42Å |
| 414 | E | 95.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 147.3 | -178.4 | -68.8 | 169.6 | -170.7 | 0 | 0 | 112.4 | Y407 K409 D410 K411 W433 L444 | Y407-E414 PolarHBondContact OH-OE2 2.85Å; K409-E414 HydrophobicContact CB-CB 3.68Å; K409-E414 WeakPolarHBondContact CB-O 3.33Å; K409-E414 VanDerWaalsContact CD-O 3.27Å; K409-E414 WeakPolarHBondContact CD-O 3.43Å; D410-E414 WeakPolarHBondContact CA-OE2 3.46Å; D410-E414 PolarHBondContact N-OE2 3.22Å; K411-E414 HydrophobicContact CB-CG 4.14Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 VanDerWaalsContact N-OE2 3.07Å; K411-E414 IonicContact NZ-OE1 2.92Å; K411-E414 PolarHBondContact O-N 3.29Å; E414-W433 HydrophobicContact CG-CH2 4.2Å; E414-W433 HydrophobicContact CG-CZ3 3.84Å; E414-L444 CarbonylContact C-O 3.54Å; E414-L444 WeakPolarHBondContact CA-O 3.26Å; E414-L444 HydrophobicContact CG-CB 4.5Å |
| 415 | L | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 118.3 | -177.7 | -175.1 | 68.3 | 0 | 0 | 0 | 110.4 | Y407 F417 I423 M438 V441 L444 F445 | Y407-L415 WeakPolarHBondContact CD1-O 3.38Å; L415-F417 HydrophobicContact CG-CD1 4.38Å; L415-F417 WeakPolarHBondContact O-CD1 3.18Å; L415-I423 HydrophobicContact CD2-CG2 4.05Å; L415-M438 HydrophobicContact CD1-CB 4.49Å; L415-M438 HydrophobicContact CD2-CB 4Å; L415-V441 HydrophobicContact CD1-CB 4.07Å; L415-V441 HydrophobicContact CD1-CG1 3.84Å; L415-V441 WeakPolarHBondContact CD1-O 3.5Å; L415-L444 PolarHBondContact N-O 3Å; L415-F445 HydrophobicContact CB-CD1 4.49Å; L415-F445 HydrophobicContact CD2-CD1 4.13Å |
| 416 | S | 95.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 140.2 | 172.6 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | Y407 K409 M438 | Y407-S416 CarbonylContact O-C 3.58Å; Y407-S416 WeakPolarHBondContact O-CA 3.46Å; Y407-S416 WeakPolarHBondContact O-CB 3.38Å; K409-S416 WeakPolarHBondContact CB-OG 3.39Å; K409-S416 WeakPolarHBondContact CG-OG 3.47Å; K409-S416 PolarHBondContact N-OG 3.23Å; S416-M438 WeakPolarHBondContact O-CE 3.33Å |
| 417 | F | 95.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -153.9 | 167.2 | 177.7 | 52 | -97 | 0 | 0 | 0 | 111.6 | A403 Y405 Y407 L415 A421 I423 M438 F445 V450 | A403-F417 HydrophobicContact CB-CD2 3.39Å; A403-F417 HydrophobicContact CB-CE2 3.56Å; A403-F417 HydrophobicContact CB-CG 4.43Å; Y405-F417 WeakPolarHBondContact O-CE2 3.49Å; Y407-F417 HydrophobicContact CD1-CD1 4.47Å; Y407-F417 AromaticContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CZ 4.13Å; Y407-F417 HydrophobicContact CG-CE1 4.3Å; Y407-F417 HydrophobicContact CG-CZ 4.15Å; Y407-F417 PolarHBondContact N-O 2.81Å; Y407-F417 PolarHBondContact O-N 2.96Å; Y407-F417 VanDerWaalsContact O-O 3.06Å; L415-F417 HydrophobicContact CG-CD1 4.38Å; L415-F417 WeakPolarHBondContact O-CD1 3.18Å; F417-A421 HydrophobicContact CB-CB 3.96Å; F417-I423 HydrophobicContact CB-CD1 4.39Å; F417-I423 HydrophobicContact CD1-CD1 3.5Å; F417-I423 VanDerWaalsContact CD1-CD1 3.5Å; F417-I423 HydrophobicContact CD2-CD1 4.16Å; F417-I423 HydrophobicContact CE1-CD1 3.65Å; F417-I423 HydrophobicContact CE2-CD1 4.29Å; F417-I423 HydrophobicContact CG-CD1 3.76Å; F417-I423 HydrophobicContact CZ-CD1 4.04Å; F417-M438 HydrophobicContact CB-CE 3.76Å; F417-M438 HydrophobicContact CB-SD 3.54Å; F417-M438 VanDerWaalsContact CB-SD 3.54Å; F417-F445 HydrophobicContact CE1-CB 3.48Å; F417-F445 VanDerWaalsContact CE1-CB 3.48Å; F417-F445 AromaticContact CE1-CD2 3.97Å; F417-F445 HydrophobicContact CE1-CD2 3.97Å; F417-F445 AromaticContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CZ-CB 4.09Å; F417-F445 HydrophobicContact CZ-CD2 4.06Å; F417-F445 HydrophobicContact CZ-CG 4.29Å; F417-V450 HydrophobicContact CE2-CG1 4.48Å; F417-V450 HydrophobicContact CZ-CG1 4.29Å |
| 418 | Q | 95.6 | Very high | 93.2 | Very high | 148 Ų | 148 | 71.4 Ų | 71.4 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | trans | -105.4 | 158 | 176.1 | -68.8 | 179.4 | -26 | 0 | 0 | 110.7 | A403 D406 G420 A421 | A403-Q418 WeakPolarHBondContact CB-O 3.26Å; D406-Q418 WeakPolarHBondContact OD1-CA 3.28Å; Q418-G420 PolarHBondContact O-N 3.46Å; Q418-A421 WeakPolarHBondContact O-CB 3.47Å; Q418-A421 PolarHBondContact O-N 3.46Å | ||
| 419 | E | 93.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 133.4 | 169.1 | -176.2 | -177.8 | 163.3 | 0 | 0 | 110 | D406 A421 | D406-E419 PolarHBondContact OD1-N 2.94Å; E419-A421 VanDerWaalsContact C-N 3.34Å |
| 420 | G | 90.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 72.3 Ų | 72.3 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A403 Q418 | A403-G420 PolarHBondContact O-N 3.34Å; Q418-G420 PolarHBondContact O-N 3.46Å |
| 421 | A | 92.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | trans | -68.2 | 140.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V402 A403 F417 Q418 E419 M438 | V402-A421 CarbonylContact C-O 3.49Å; V402-A421 WeakPolarHBondContact CA-O 3.43Å; A403-A421 HydrophobicContact CB-CB 4.24Å; A403-A421 PolarHBondContact N-O 3.23Å; F417-A421 HydrophobicContact CB-CB 3.96Å; Q418-A421 WeakPolarHBondContact O-CB 3.47Å; Q418-A421 PolarHBondContact O-N 3.46Å; E419-A421 VanDerWaalsContact C-N 3.34Å; A421-M438 HydrophobicContact CB-SD 3.68Å | ||
| 422 | I | 93.4 | Very high | 93 | Very high | 64 Ų | 64 | 66.2 Ų | 66.2 | 33% | 0.328 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.5 | 177.6 | -56.7 | -69.3 | 0 | 0 | 0 | 109.2 | K400 V401 V402 Y424 I453 | K400-I422 HydrophobicContact CD-CG2 4.12Å; K400-I422 HydrophobicContact CG-CG2 3.82Å; V401-I422 WeakPolarHBondContact O-CA 3.36Å; V402-I422 HydrophobicContact CB-CD1 4.4Å; V402-I422 HydrophobicContact CG2-CD1 4.41Å; I422-Y424 HydrophobicContact CG2-CE2 4.14Å; I422-I453 HydrophobicContact CD1-CD1 3.24Å; I422-I453 HydrophobicContact CG2-CD1 4.37Å |
| 423 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.3 | -179.6 | -49 | 172.2 | 0 | 0 | 0 | 109.1 | V401 L415 F417 M438 F445 V450 | V401-I423 HydrophobicContact CG2-CB 3.84Å; V401-I423 WeakPolarHBondContact CG2-O 3.48Å; V401-I423 PolarHBondContact N-O 2.91Å; V401-I423 PolarHBondContact O-N 3.43Å; L415-I423 HydrophobicContact CD2-CG2 4.05Å; F417-I423 HydrophobicContact CB-CD1 4.39Å; F417-I423 HydrophobicContact CD1-CD1 3.5Å; F417-I423 VanDerWaalsContact CD1-CD1 3.5Å; F417-I423 HydrophobicContact CD2-CD1 4.16Å; F417-I423 HydrophobicContact CE1-CD1 3.65Å; F417-I423 HydrophobicContact CE2-CD1 4.29Å; F417-I423 HydrophobicContact CG-CD1 3.76Å; F417-I423 HydrophobicContact CZ-CD1 4.04Å; I423-M438 HydrophobicContact CG1-CB 4.29Å; I423-F445 HydrophobicContact CB-CZ 4.38Å; I423-F445 HydrophobicContact CD1-CD2 4.48Å; I423-F445 HydrophobicContact CD1-CE1 4.45Å; I423-F445 HydrophobicContact CD1-CE2 4.28Å; I423-F445 HydrophobicContact CD1-CZ 4.24Å; I423-F445 HydrophobicContact CG2-CD1 4.47Å; I423-F445 HydrophobicContact CG2-CE1 3.61Å; I423-F445 HydrophobicContact CG2-CZ 3.76Å; I423-V450 HydrophobicContact CD1-CG1 4.09Å |
| 424 | Y | 94.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.8 | 175.1 | -65.7 | -98.4 | 0 | 0 | 0 | 108.8 | D389 W392 A393 P394 Y397 K400 I422 I426 G436 V437 | D389-Y424 WeakPolarHBondContact OD1-CE1 3.36Å; D389-Y424 PolarHBondContact OD1-OH 3.25Å; W392-Y424 HydrophobicContact CH2-CD2 4.07Å; W392-Y424 AromaticContact CH2-CE2 3.72Å; W392-Y424 HydrophobicContact CH2-CE2 3.72Å; W392-Y424 AromaticContact CZ3-CD2 3.77Å; W392-Y424 HydrophobicContact CZ3-CD2 3.77Å; W392-Y424 AromaticContact CZ3-CE2 3.8Å; W392-Y424 HydrophobicContact CZ3-CE2 3.8Å; A393-Y424 HydrophobicContact CB-CD2 4.4Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å; A393-Y424 HydrophobicContact CB-CE2 4.06Å; P394-Y424 HydrophobicContact CG-CG 4.42Å; Y397-Y424 AromaticContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CE1 4.43Å; Y397-Y424 AromaticContact CD2-CD1 3.97Å; Y397-Y424 HydrophobicContact CD2-CD1 3.97Å; Y397-Y424 AromaticContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CE1 4.01Å; Y397-Y424 AromaticContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CE1 4.43Å; Y397-Y424 AromaticContact CG-CD1 3.84Å; Y397-Y424 HydrophobicContact CG-CD1 3.84Å; Y397-Y424 AromaticContact CZ-CD1 3.89Å; K400-Y424 HydrophobicContact CD-CE1 4.4Å; K400-Y424 HydrophobicContact CG-CE1 4.37Å; I422-Y424 HydrophobicContact CG2-CE2 4.14Å; Y424-I426 PolarHBondContact O-N 3.12Å; Y424-G436 CarbonylContact O-C 3.51Å; Y424-G436 WeakPolarHBondContact O-CA 3.4Å; Y424-V437 PolarHBondContact N-O 3.29Å; Y424-V437 PolarHBondContact O-N 3.3Å |
| 425 | V | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.8 | -175.8 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | Y397 L398 E399 V401 K428 F445 | Y397-V425 CarbonylContact C-O 3.58Å; Y397-V425 WeakPolarHBondContact CA-O 3.34Å; Y397-V425 WeakPolarHBondContact CB-O 3.39Å; L398-V425 PolarHBondContact N-O 2.86Å; E399-V425 HydrophobicContact CG-CB 3.87Å; E399-V425 HydrophobicContact CG-CG1 4.5Å; E399-V425 HydrophobicContact CG-CG2 3.92Å; E399-V425 PolarHBondContact O-N 2.92Å; V401-V425 HydrophobicContact CB-CG2 4.36Å; V401-V425 HydrophobicContact CG1-CG2 3.68Å; V401-V425 HydrophobicContact CG2-CG2 3.7Å; V425-K428 HydrophobicContact CG1-CG 3.91Å; V425-F445 HydrophobicContact CG2-CZ 4.2Å |
| 426 | I | 93.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -27.9 | 178.3 | -60.9 | -175.3 | 0 | 0 | 0 | 111.4 | P394 L398 Y424 E435 V437 | P394-I426 HydrophobicContact CB-CD1 4.06Å; P394-I426 HydrophobicContact CB-CG1 4.5Å; P394-I426 HydrophobicContact CG-CD1 4.12Å; P394-I426 HydrophobicContact CG-CG1 4.22Å; L398-I426 WeakPolarHBondContact CD1-O 3.27Å; Y424-I426 PolarHBondContact O-N 3.12Å; I426-E435 PolarHBondContact N-O 3.2Å; I426-V437 HydrophobicContact CD1-CB 4.47Å; I426-V437 HydrophobicContact CD1-CG2 3.39Å; I426-V437 HydrophobicContact CG1-CG2 4.3Å |
| 427 | K | 93.6 | Very high | 93.5 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 146.4 | 178.8 | -169.8 | -179.5 | 172.2 | -171.5 | 0 | 111.1 | N429 Y434 E435 | K427-N429 WeakPolarHBondContact CE-OD1 3.23Å; K427-Y434 WeakPolarHBondContact O-CA 3.47Å; K427-E435 HydrophobicContact CB-CB 4.03Å; K427-E435 PolarHBondContact N-O 3.4Å; K427-E435 VanDerWaalsContact N-O 3.13Å; K427-E435 PolarHBondContact O-N 3.05Å |
| 428 | K | 94.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 34% | 0.335 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.6 | 169.8 | -62.2 | -174.2 | 172.4 | -177 | 0 | 108.6 | E399 V425 Y434 | E399-K428 WeakPolarHBondContact OE1-CE 3.41Å; E399-K428 IonicContact OE1-NZ 2.68Å; E399-K428 PolarHBondContact OE1-NZ 3.27Å; E399-K428 IonicContact OE2-NZ 3.98Å; E399-K428 PolarHBondContact OE2-NZ 3.43Å; V425-K428 HydrophobicContact CG1-CG 3.91Å; K428-Y434 HydrophobicContact CB-CD1 3.76Å; K428-Y434 HydrophobicContact CB-CE1 3.76Å; K428-Y434 HydrophobicContact CD-CD1 4.27Å; K428-Y434 HydrophobicContact CD-CE1 3.79Å; K428-Y434 HydrophobicContact CD-CE2 4.19Å; K428-Y434 HydrophobicContact CG-CD1 3.62Å; K428-Y434 HydrophobicContact CG-CD2 4.39Å; K428-Y434 HydrophobicContact CG-CE1 3.64Å; K428-Y434 HydrophobicContact CG-CE2 4.37Å; K428-Y434 HydrophobicContact CG-CG 4.04Å |
| 429 | N | 91.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | trans | -95 | 154.5 | 176 | -64.1 | 11.5 | 0 | 0 | 0 | 110.4 | K427 D431 G432 W433 | K427-N429 WeakPolarHBondContact CE-OD1 3.23Å; N429-D431 WeakPolarHBondContact CB-OD1 3.29Å; N429-D431 PolarHBondContact O-N 3.03Å; N429-G432 PolarHBondContact O-N 3.24Å; N429-W433 VanDerWaalsContact CB-O 3.29Å; N429-W433 WeakPolarHBondContact CB-O 3.44Å; N429-W433 PolarHBondContact N-O 3.24Å | ||
| 430 | D | 87.9 | Confident | 92.5 | Very high | 180 Ų | 180 | 54.3 Ų | 54.3 | 96% | 0.963 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -10.6 | -177.5 | -59.3 | -40.9 | 0 | 0 | 0 | 113.6 | G432 | D430-G432 VanDerWaalsContact C-N 3.29Š|
| 431 | D | 89 | Confident | 92.5 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.2 | 175.8 | 61.5 | -3.3 | 0 | 0 | 0 | 113.3 | N429 W433 | N429-D431 WeakPolarHBondContact CB-OD1 3.29Å; N429-D431 PolarHBondContact O-N 3.03Å; D431-W433 PolarHBondContact OD1-N 3.23Å; D431-W433 VanDerWaalsContact OD1-N 3.16Å |
| 432 | G | 92.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 89.1 | 4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N429 D430 G447 | N429-G432 PolarHBondContact O-N 3.24Å; D430-G432 VanDerWaalsContact C-N 3.29Å; G432-G447 PolarHBondContact O-N 2.98Å |
| 433 | W | 95.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 136.1 | 174.7 | -73.4 | 78.7 | 0 | 0 | 0 | 111.7 | Y407 E414 N429 D431 L444 | Y407-W433 WeakPolarHBondContact OH-CH2 3.45Å; Y407-W433 WeakPolarHBondContact OH-CZ3 3.45Å; E414-W433 HydrophobicContact CG-CH2 4.2Å; E414-W433 HydrophobicContact CG-CZ3 3.84Å; N429-W433 VanDerWaalsContact CB-O 3.29Å; N429-W433 WeakPolarHBondContact CB-O 3.44Å; N429-W433 PolarHBondContact N-O 3.24Å; D431-W433 PolarHBondContact OD1-N 3.23Å; D431-W433 VanDerWaalsContact OD1-N 3.16Å; W433-L444 HydrophobicContact CE3-CB 3.93Å; W433-L444 HydrophobicContact CZ3-CB 4.35Å |
| 434 | Y | 96.2 | Very high | 92.7 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.6 | 177.5 | -63.4 | -7.1 | 0 | 0 | 0 | 109.7 | K427 K428 L444 F445 V450 | K427-Y434 WeakPolarHBondContact O-CA 3.47Å; K428-Y434 HydrophobicContact CB-CD1 3.76Å; K428-Y434 HydrophobicContact CB-CE1 3.76Å; K428-Y434 HydrophobicContact CD-CD1 4.27Å; K428-Y434 HydrophobicContact CD-CE1 3.79Å; K428-Y434 HydrophobicContact CD-CE2 4.19Å; K428-Y434 HydrophobicContact CG-CD1 3.62Å; K428-Y434 HydrophobicContact CG-CD2 4.39Å; K428-Y434 HydrophobicContact CG-CE1 3.64Å; K428-Y434 HydrophobicContact CG-CE2 4.37Å; K428-Y434 HydrophobicContact CG-CG 4.04Å; Y434-L444 CarbonylContact O-C 3.47Å; Y434-L444 VanDerWaalsContact O-CA 3.31Å; Y434-L444 WeakPolarHBondContact O-CA 3.37Å; Y434-F445 HydrophobicContact CD2-CE2 4.13Å; Y434-F445 HydrophobicContact CD2-CZ 4.38Å; Y434-F445 HydrophobicContact CG-CE2 4.46Å; Y434-F445 PolarHBondContact N-O 2.61Å; Y434-F445 WeakPolarHBondContact O-CD1 3.44Å; Y434-F445 PolarHBondContact O-N 2.91Å; Y434-V450 HydrophobicContact CD2-CG2 4.2Å; Y434-V450 HydrophobicContact CE2-CG2 4.32Å |
| 435 | E | 95.5 | Very high | 92.8 | Very high | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.5 | 169.7 | -169.8 | 179.3 | 179.5 | 0 | 0 | 107.9 | I426 K427 T442 L444 | I426-E435 PolarHBondContact N-O 3.2Å; K427-E435 HydrophobicContact CB-CB 4.03Å; K427-E435 PolarHBondContact N-O 3.4Å; K427-E435 VanDerWaalsContact N-O 3.13Å; K427-E435 PolarHBondContact O-N 3.05Å; E435-T442 HydrophobicContact CG-CG2 4.11Å; E435-L444 HydrophobicContact CB-CD2 3.92Å; E435-L444 HydrophobicContact CG-CD2 4.37Å |
| 436 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 172.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y424 T442 G443 | Y424-G436 CarbonylContact O-C 3.51Å; Y424-G436 WeakPolarHBondContact O-CA 3.4Å; G436-T442 WeakPolarHBondContact O-CA 3.39Å; G436-G443 PolarHBondContact N-O 3.35Å; G436-G443 VanDerWaalsContact N-O 3.11Å; G436-G443 PolarHBondContact O-N 3.12Å; G436-G443 VanDerWaalsContact O-N 3.1Å |
| 437 | V | 94.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.6 | -176.7 | 177.6 | 0 | 0 | 0 | 0 | 110 | W392 P394 Y424 I426 V441 T442 | W392-V437 HydrophobicContact CE3-CG1 4.14Å; W392-V437 HydrophobicContact CZ3-CG1 4.35Å; P394-V437 HydrophobicContact CG-CB 4.22Å; P394-V437 HydrophobicContact CG-CG2 4.38Å; Y424-V437 PolarHBondContact N-O 3.29Å; Y424-V437 PolarHBondContact O-N 3.3Å; I426-V437 HydrophobicContact CD1-CB 4.47Å; I426-V437 HydrophobicContact CD1-CG2 3.39Å; I426-V437 HydrophobicContact CG1-CG2 4.3Å; V437-V441 WeakPolarHBondContact CA-O 3.34Å; V437-T442 HydrophobicContact CG2-CG2 4.03Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.24Å |
| 438 | M | 92.2 | Very high | 93 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.9 | 171.4 | -176.4 | -167.2 | 64.9 | 0 | 0 | 108.8 | L415 S416 F417 A421 I423 G440 V441 | L415-M438 HydrophobicContact CD1-CB 4.49Å; L415-M438 HydrophobicContact CD2-CB 4Å; S416-M438 WeakPolarHBondContact O-CE 3.33Å; F417-M438 HydrophobicContact CB-CE 3.76Å; F417-M438 HydrophobicContact CB-SD 3.54Å; F417-M438 VanDerWaalsContact CB-SD 3.54Å; A421-M438 HydrophobicContact CB-SD 3.68Å; I423-M438 HydrophobicContact CG1-CB 4.29Å; M438-G440 PolarHBondContact O-N 2.78Å; M438-G440 VanDerWaalsContact O-N 3.14Å; M438-V441 PolarHBondContact N-O 3.38Å; M438-V441 PolarHBondContact O-N 3.37Å |
| 439 | N | 86.9 | Confident | 93 | Very high | 111 Ų | 111 | 56 Ų | 56 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34.7 | 179.8 | -60.6 | -32.6 | 0 | 0 | 0 | 113.8 | V441 | N439-V441 VanDerWaalsContact C-N 3.27Å; N439-V441 PolarHBondContact O-N 3.37Å |
| 440 | G | 84.8 | Confident | 93.1 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M438 | M438-G440 PolarHBondContact O-N 2.78Å; M438-G440 VanDerWaalsContact O-N 3.14Å |
| 441 | V | 89.9 | Confident | 93.4 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 53% | 0.527 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.2 | 174.4 | -177 | 0 | 0 | 0 | 0 | 109.1 | L415 V437 M438 N439 | L415-V441 HydrophobicContact CD1-CB 4.07Å; L415-V441 HydrophobicContact CD1-CG1 3.84Å; L415-V441 WeakPolarHBondContact CD1-O 3.5Å; V437-V441 WeakPolarHBondContact CA-O 3.34Å; M438-V441 PolarHBondContact N-O 3.38Å; M438-V441 PolarHBondContact O-N 3.37Å; N439-V441 VanDerWaalsContact C-N 3.27Å; N439-V441 PolarHBondContact O-N 3.37Å |
| 442 | T | 93.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.8 | 173.9 | -45.6 | 0 | 0 | 0 | 0 | 110 | E435 G436 V437 | E435-T442 HydrophobicContact CG-CG2 4.11Å; G436-T442 WeakPolarHBondContact O-CA 3.39Å; V437-T442 HydrophobicContact CG2-CG2 4.03Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.24Å |
| 443 | G | 94.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D413 G436 | D413-G443 CarbonylContact O-C 3.51Å; D413-G443 VanDerWaalsContact O-CA 3.32Å; D413-G443 WeakPolarHBondContact O-CA 3.33Å; G436-G443 PolarHBondContact N-O 3.35Å; G436-G443 VanDerWaalsContact N-O 3.11Å; G436-G443 PolarHBondContact O-N 3.12Å; G436-G443 VanDerWaalsContact O-N 3.1Å |
| 444 | L | 95.9 | Very high | 91.7 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 142.8 | 178.5 | -69.3 | 172.7 | 0 | 0 | 0 | 111.7 | D413 E414 L415 W433 Y434 E435 | D413-L444 PolarHBondContact O-N 3.42Å; E414-L444 CarbonylContact C-O 3.54Å; E414-L444 WeakPolarHBondContact CA-O 3.26Å; E414-L444 HydrophobicContact CG-CB 4.5Å; L415-L444 PolarHBondContact N-O 3Å; W433-L444 HydrophobicContact CE3-CB 3.93Å; W433-L444 HydrophobicContact CZ3-CB 4.35Å; Y434-L444 CarbonylContact O-C 3.47Å; Y434-L444 VanDerWaalsContact O-CA 3.31Å; Y434-L444 WeakPolarHBondContact O-CA 3.37Å; E435-L444 HydrophobicContact CB-CD2 3.92Å; E435-L444 HydrophobicContact CG-CD2 4.37Å |
| 445 | F | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.1 | 173.8 | 63.3 | -86.2 | 0 | 0 | 0 | 112.6 | V401 Y407 L415 F417 I423 V425 Y434 G447 V450 | V401-F445 HydrophobicContact CG2-CZ 4.36Å; Y407-F445 HydrophobicContact CD1-CB 4.27Å; Y407-F445 HydrophobicContact CE1-CB 4.31Å; L415-F445 HydrophobicContact CB-CD1 4.49Å; L415-F445 HydrophobicContact CD2-CD1 4.13Å; F417-F445 HydrophobicContact CE1-CB 3.48Å; F417-F445 VanDerWaalsContact CE1-CB 3.48Å; F417-F445 AromaticContact CE1-CD2 3.97Å; F417-F445 HydrophobicContact CE1-CD2 3.97Å; F417-F445 AromaticContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CZ-CB 4.09Å; F417-F445 HydrophobicContact CZ-CD2 4.06Å; F417-F445 HydrophobicContact CZ-CG 4.29Å; I423-F445 HydrophobicContact CB-CZ 4.38Å; I423-F445 HydrophobicContact CD1-CD2 4.48Å; I423-F445 HydrophobicContact CD1-CE1 4.45Å; I423-F445 HydrophobicContact CD1-CE2 4.28Å; I423-F445 HydrophobicContact CD1-CZ 4.24Å; I423-F445 HydrophobicContact CG2-CD1 4.47Å; I423-F445 HydrophobicContact CG2-CE1 3.61Å; I423-F445 HydrophobicContact CG2-CZ 3.76Å; V425-F445 HydrophobicContact CG2-CZ 4.2Å; Y434-F445 HydrophobicContact CD2-CE2 4.13Å; Y434-F445 HydrophobicContact CD2-CZ 4.38Å; Y434-F445 HydrophobicContact CG-CE2 4.46Å; Y434-F445 PolarHBondContact N-O 2.61Å; Y434-F445 WeakPolarHBondContact O-CD1 3.44Å; Y434-F445 PolarHBondContact O-N 2.91Å; F445-G447 PolarHBondContact O-N 3.16Å; F445-V450 HydrophobicContact CD2-CG1 3.96Å; F445-V450 HydrophobicContact CE2-CB 4.31Å; F445-V450 HydrophobicContact CE2-CG1 3.54Å; F445-V450 HydrophobicContact CE2-CG2 3.78Å |
| 446 | P | 96 | Very high | 86.8 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125 | 179.4 | 25.8 | -34.2 | 0 | 0 | 0 | 111.6 | Y407 N448 Y449 | Y407-P446 HydrophobicContact CD1-CG 4.49Å; Y407-P446 HydrophobicContact CD2-CG 3.9Å; Y407-P446 HydrophobicContact CE1-CG 4.43Å; Y407-P446 HydrophobicContact CE2-CG 3.85Å; Y407-P446 HydrophobicContact CG-CG 4.25Å; P446-N448 WeakPolarHBondContact CB-OD1 3.47Å; P446-N448 PolarHBondContact O-N 2.97Å; P446-Y449 HydrophobicContact CB-CD2 3.78Å; P446-Y449 HydrophobicContact CB-CE2 4.25Å; P446-Y449 HydrophobicContact CG-CD1 4.49Å; P446-Y449 HydrophobicContact CG-CD2 3.44Å; P446-Y449 VanDerWaalsContact CG-CD2 3.44Å; P446-Y449 HydrophobicContact CG-CE2 3.89Å; P446-Y449 HydrophobicContact CG-CG 3.8Å; P446-Y449 PolarHBondContact O-N 2.96Å; P446-Y449 VanDerWaalsContact O-N 3.12Å |
| 447 | G | 94.3 | Very high | 83.9 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -63.9 | -21.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G432 F445 Y449 V450 | G432-G447 PolarHBondContact O-N 2.98Å; F445-G447 PolarHBondContact O-N 3.16Å; G447-Y449 PolarHBondContact O-N 3.45Å; G447-V450 VanDerWaalsContact O-CG2 3.28Å; G447-V450 WeakPolarHBondContact O-CG2 3.27Å; G447-V450 PolarHBondContact O-N 2.93Å |
| 448 | N | 96.1 | Very high | 80.8 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -78.9 | 0.5 | 177.5 | 70.3 | -64.3 | 0 | 0 | 0 | 114.2 | P446 | P446-N448 WeakPolarHBondContact CB-OD1 3.47Å; P446-N448 PolarHBondContact O-N 2.97Å |
| 449 | Y | 95.4 | Very high | 80.2 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -97.7 | 2.3 | 175.8 | -80.2 | -119.9 | 0 | 0 | 0 | 112.5 | A403 I404 Y405 Y407 P446 G447 | A403-Y449 WeakPolarHBondContact CA-O 3.45Å; I404-Y449 VanDerWaalsContact CG1-O 3.29Å; I404-Y449 WeakPolarHBondContact CG1-O 3.32Å; I404-Y449 PolarHBondContact N-O 3.37Å; Y405-Y449 HydrophobicContact CD2-CD1 4.36Å; Y405-Y449 HydrophobicContact CD2-CG 4.46Å; Y405-Y449 HydrophobicContact CG-CD1 4.45Å; Y407-Y449 HydrophobicContact CD2-CD1 4.34Å; Y407-Y449 HydrophobicContact CD2-CE1 4.21Å; P446-Y449 HydrophobicContact CB-CD2 3.78Å; P446-Y449 HydrophobicContact CB-CE2 4.25Å; P446-Y449 HydrophobicContact CG-CD1 4.49Å; P446-Y449 HydrophobicContact CG-CD2 3.44Å; P446-Y449 VanDerWaalsContact CG-CD2 3.44Å; P446-Y449 HydrophobicContact CG-CE2 3.89Å; P446-Y449 HydrophobicContact CG-CG 3.8Å; P446-Y449 PolarHBondContact O-N 2.96Å; P446-Y449 VanDerWaalsContact O-N 3.12Å; G447-Y449 PolarHBondContact O-N 3.45Å |
| 450 | V | 94.2 | Very high | 79.9 | Confident | 16 Ų | 16 | 86.4 Ų | 86.4 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156.9 | -175.8 | -58.9 | 0 | 0 | 0 | 0 | 112 | V401 V402 F417 I423 Y434 F445 G447 | V401-V450 HydrophobicContact CB-CB 3.91Å; V401-V450 HydrophobicContact CB-CG2 4.03Å; V401-V450 HydrophobicContact CG1-CG2 4.35Å; V401-V450 HydrophobicContact CG2-CB 3.75Å; V401-V450 HydrophobicContact CG2-CG1 3.99Å; V401-V450 HydrophobicContact CG2-CG2 3.85Å; V402-V450 CarbonylContact O-C 3.51Å; V402-V450 WeakPolarHBondContact O-CA 3.49Å; F417-V450 HydrophobicContact CE2-CG1 4.48Å; F417-V450 HydrophobicContact CZ-CG1 4.29Å; I423-V450 HydrophobicContact CD1-CG1 4.09Å; Y434-V450 HydrophobicContact CD2-CG2 4.2Å; Y434-V450 HydrophobicContact CE2-CG2 4.32Å; F445-V450 HydrophobicContact CD2-CG1 3.96Å; F445-V450 HydrophobicContact CE2-CB 4.31Å; F445-V450 HydrophobicContact CE2-CG1 3.54Å; F445-V450 HydrophobicContact CE2-CG2 3.78Å; G447-V450 VanDerWaalsContact O-CG2 3.28Å; G447-V450 WeakPolarHBondContact O-CG2 3.27Å; G447-V450 PolarHBondContact O-N 2.93Å |
| 451 | E | 93.1 | Very high | 79.6 | Confident | 106 Ų | 106 | 88.6 Ų | 88.6 | 50% | 0.495 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.7 | 175.9 | -172.7 | 171 | -162.2 | 0 | 0 | 110.4 | V401 V402 I404 | V401-E451 CarbonylContact C-O 3.59Å; V401-E451 WeakPolarHBondContact CA-O 3.36Å; V401-E451 WeakPolarHBondContact CB-O 3.48Å; V402-E451 HydrophobicContact CG1-CB 4.36Å; V402-E451 PolarHBondContact N-O 2.92Å; V402-E451 PolarHBondContact O-N 2.68Å; I404-E451 HydrophobicContact CG2-CB 3.93Å |
| 452 | S | 90.1 | Very high | 79 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 41% | 0.413 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.6 | -178.8 | -53.1 | 0 | 0 | 0 | 0 | 112 | M454 | S452-M454 VanDerWaalsContact C-N 3.26Å; S452-M454 PolarHBondContact O-N 3.29Å |
| 453 | I | 85.1 | Confident | 78.1 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 27% | 0.272 | 45% | 0.447 | S | S | . | . | trans | -86.7 | 14.3 | -176.5 | -49.9 | -177.3 | 0 | 0 | 0 | 112.7 | K400 V402 I422 H455 | K400-I453 HydrophobicContact CD-CD1 4.2Å; K400-I453 HydrophobicContact CG-CD1 3.89Å; K400-I453 PolarHBondContact O-N 3.12Å; V402-I453 HydrophobicContact CB-CD1 3.77Å; V402-I453 HydrophobicContact CB-CG1 3.9Å; V402-I453 HydrophobicContact CG1-CD1 4.48Å; V402-I453 HydrophobicContact CG1-CG1 4.09Å; I422-I453 HydrophobicContact CD1-CD1 3.24Å; I422-I453 HydrophobicContact CG2-CD1 4.37Å; I453-H455 PolarHBondContact O-N 3.18Å | ||
| 454 | M | 66.5 | Low | 77 | Confident | 173 Ų | 173 | 94.9 Ų | 94.9 | 85% | 0.852 | 47% | 0.473 | S | S | * | . | trans | -62.4 | 113.5 | 175.8 | -68.2 | -67.9 | -100.5 | 0 | 0 | 109 | S452 | S452-M454 VanDerWaalsContact C-N 3.26Å; S452-M454 PolarHBondContact O-N 3.29Å | ||
| 455 | H | 48.8 | Very low | 75.7 | Confident | 173 Ų | 173 | 98.9 Ų | 98.9 | 80% | 0.801 | 49% | 0.492 | S | S | * | . | trans | -52.5 | 131.3 | -161.7 | -102.3 | 52 | 0 | 0 | 0 | 115.2 | I453 S457 | I453-H455 PolarHBondContact O-N 3.18Å; H455-S457 PolarHBondContact O-N 3.17Å | ||
| 456 | Y | 39.9 | Very low | 74.1 | Confident | 215 Ų | 215 | 106.5 Ų | 106.5 | 84% | 0.843 | 53% | 0.53 | S | S | * | . | trans | -61.2 | 108.7 | 147.1 | -78 | -93.4 | 0 | 0 | 0 | 108.4 | ||||
| 457 | S | 34.4 | Very low | 72.2 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 81% | 0.811 | 57% | 0.567 | S | S | * | * | trans | -82.6 | 114.8 | 161.9 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | H455 | H455-S457 PolarHBondContact O-N 3.17Š| ||
| 458 | E | 29.1 | Very low | 70.2 | Confident | 264 Ų | 264 | 123.7 Ų | 123.7 | 100% | 1.234 | 61% | 0.61 | S | S | * | * | trans | -67.1 | 0 | 172.2 | -163.2 | 174.3 | -166 | 0 | 0 | 112.7 |
Retrieved 458 of 458 residues in 161.1 ms
(Link to these results)